| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L023741
BDB023741
|
US11242344, Example 1001.1
Cc1ncsc1-c1ccc([C@]2(C)NC(C3C[C@@H](O)CN3C(=O)[C@@H](c3cc(OCCCCCNC(=O)c4cc5c(cc4CS(C)(=O)=O)-c4cn(C)c(=O)c6[nH]cc(c46)CN5c4ncc(F)cc4F)no3)C(C)C)=NC2=O)cc1
|
C54H56F2N10O9S2 1091.233000 |
SDAVNUYOWAVNNJ-NOYZTCMCSA-N | P40337, Q15369, Q15370 | von Hippel-Lindau disease tumor suppressor |
BindingDB, PubChem
BindingDB:BDBM536275; PubChem:CID163407789
|
Local ready
Direct docking supported
|
|
E3L023742
BDB023742
|
US11242344, Example 117.1
Cc1noc(C(C(=O)N2C[C@H](O)CC2C2=NC(=O)[C@](C)(c3ccc(-c4scnc4C)cc3)N2)C(C)C)n1
|
C26H30N6O4S 522.631000 |
PECICTZKVKHDTH-WJSHSNFHSA-N | P40337, Q15369, Q15370 | von Hippel-Lindau disease tumor suppressor |
BindingDB, PubChem
BindingDB:BDBM536276; PubChem:CID142572445
|
Local ready
Direct docking supported
|
|
E3L023743
BDB023743
|
US11242344, Example 1001.2
Cc1ncsc1-c1ccc(C2(C)NC([C@H]3C[C@@H](O)CN3C(=O)[C@H](c3cc(OCCCCCNC(=O)c4cc5c(cc4CS(C)(=O)=O)-c4cn(C)c(=O)c6[nH]cc(c46)CN5c4ncc(F)cc4F)no3)C(C)C)=NC2=O)cc1
|
C54H56F2N10O9S2 1091.233000 |
SDAVNUYOWAVNNJ-WBTBCHDUSA-N | P40337, Q15369, Q15370 | von Hippel-Lindau disease tumor suppressor |
BindingDB, PubChem
BindingDB:BDBM536277; PubChem:CID163407790
|
Local ready
Direct docking supported
|
|
E3L023744
BDB023744
|
US11242344, Example 1001.4
Cc1ncsc1-c1ccc(C2(C)NC(C3C[C@@H](O)CN3C(=O)[C@H](c3cc(OCCCCCNC(=O)c4cc5c(cc4CS(C)(=O)=O)-c4cn(C)c(=O)c6[nH]cc(c46)CN5c4ncc(F)cc4F)no3)C(C)C)=NC2=O)cc1
|
C54H56F2N10O9S2 1091.233000 |
SDAVNUYOWAVNNJ-XSANQGJXSA-N | P40337, Q15369, Q15370 | von Hippel-Lindau disease tumor suppressor |
BindingDB, PubChem
BindingDB:BDBM536281; PubChem:CID163407791
|
Local ready
Direct docking supported
|
|
E3L023745
BDB023745
|
US11242344, Example 1003.1
CC/C(=C(\c1ccc(O)cc1)c1ccc(OCCN(C)C(=O)CCCOCCOc2cc([C@H](C(=O)N3C[C@H](O)C[C@H]3C3=NC(=O)[C@](C)(c4ccc(-c5scnc5C)cc4)N3)C(C)C)on2)cc1)c1ccccc1
|
C57H64N6O9S 1009.239000 |
YNNSZAHUAIODTC-HJTABLSOSA-N | P40337, Q15369, Q15370 | von Hippel-Lindau disease tumor suppressor |
BindingDB, PubChem
BindingDB:BDBM536283; PubChem:CID161964412
|
Local ready
Direct docking supported
|
|
E3L023746
BDB023746
|
US11242344, Example 118.1
Cc1ncsc1-c1ccc([C@]2(C)NC(C3C[C@@H](O)CN3C(=O)C(c3cn(C)nn3)C(C)C)=NC2=O)cc1
|
C26H31N7O3S 521.647000 |
ZXSIYBHMUJKMEO-GFWDKJHQSA-N | P40337, Q15369, Q15370 | von Hippel-Lindau disease tumor suppressor |
BindingDB, PubChem
BindingDB:BDBM536284; PubChem:CID142572548
|
Local ready
Direct docking supported
|
|
E3L023747
BDB023747
|
US11242344, Example 1003.2
CC/C(=C(\c1ccc(O)cc1)c1ccc(OCCN(C)C(=O)CCCOCCOc2cc([C@H](C(=O)N3C[C@H](O)C[C@@H]3C3=NC(=O)[C@](C)(c4ccc(-c5scnc5C)cc4)N3)C(C)C)on2)cc1)c1ccccc1
|
C57H64N6O9S 1009.239000 |
YNNSZAHUAIODTC-FHSUYOSUSA-N | P40337, Q15369, Q15370 | von Hippel-Lindau disease tumor suppressor |
BindingDB, PubChem
BindingDB:BDBM536285; PubChem:CID161964411
|
Local ready
Direct docking supported
|
|
E3L023748
BDB023748
|
US11242344, Example 1003.3
CC/C(=C(\c1ccc(O)cc1)c1ccc(OCCN(C)C(=O)CCCOCCOc2cc([C@@H](C(=O)N3C[C@H](O)C[C@H]3C3=NC(=O)[C@](C)(c4ccc(-c5scnc5C)cc4)N3)C(C)C)on2)cc1)c1ccccc1
|
C57H64N6O9S 1009.239000 |
YNNSZAHUAIODTC-SZPJVTDJSA-N | P40337, Q15369, Q15370 | von Hippel-Lindau disease tumor suppressor |
BindingDB, PubChem
BindingDB:BDBM536287; PubChem:CID142572698
|
Local ready
Direct docking supported
|
|
E3L023749
BDB023749
|
US11242344, Example 1003.4
CC/C(=C(\c1ccc(O)cc1)c1ccc(OCCN(C)C(=O)CCCOCCOc2cc([C@@H](C(=O)N3C[C@H](O)C[C@@H]3C3=NC(=O)[C@](C)(c4ccc(-c5scnc5C)cc4)N3)C(C)C)on2)cc1)c1ccccc1
|
C57H64N6O9S 1009.239000 |
YNNSZAHUAIODTC-HTCPFQGRSA-N | P40337, Q15369, Q15370 | von Hippel-Lindau disease tumor suppressor |
BindingDB, PubChem
BindingDB:BDBM536289; PubChem:CID142572591
|
Local ready
Direct docking supported
|
|
E3L023750
BDB023750
|
US11242344, Example 1004.1
C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOCC#CC#CCOc4cc([C@H](C(=O)N5C[C@H](O)C[C@H]5C5=NC(=O)[C@](C)(c6ccc(-c7scnc7C)cc6)N5)C(C)C)on4)cc23)c1
|
C53H52N8O9S 977.113000 |
GDUPOTCODJXPBK-FZCWASTKSA-N | P40337, Q15369, Q15370 | von Hippel-Lindau disease tumor suppressor |
BindingDB, PubChem
BindingDB:BDBM536291; PubChem:CID158226001
|
Local ready
Direct docking supported
|
|
E3L023751
BDB023751
|
US11242344, Example 119.1
Cc1cc(C(C(=O)N2C[C@H](O)CC2C2=NC(=O)[C@](C)(c3ccc(-c4scnc4C)cc3)N2)C(C)C)sn1
|
C27H31N5O3S2 537.711000 |
MYIXYADVBFWYDM-OURBLFPKSA-N | P40337, Q15369, Q15370 | von Hippel-Lindau disease tumor suppressor |
BindingDB, PubChem
BindingDB:BDBM536292; PubChem:CID142572578
|
Local ready
Direct docking supported
|
|
E3L023752
BDB023752
|
US11242344, Example 1004.2
C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOCC#CC#CCOc4cc([C@H](C(=O)N5C[C@H](O)C[C@@H]5C5=NC(=O)[C@](C)(c6ccc(-c7scnc7C)cc6)N5)C(C)C)on4)cc23)c1
|
C53H52N8O9S 977.113000 |
GDUPOTCODJXPBK-MHHUAASLSA-N | P40337, Q15369, Q15370 | von Hippel-Lindau disease tumor suppressor |
BindingDB, PubChem
BindingDB:BDBM536293; PubChem:CID158226004
|
Local ready
Direct docking supported
|
|
E3L023753
BDB023753
|
US11242344, Example 1004.3
C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOCC#CC#CCOc4cc([C@@H](C(=O)N5C[C@H](O)C[C@H]5C5=NC(=O)[C@](C)(c6ccc(-c7scnc7C)cc6)N5)C(C)C)on4)cc23)c1
|
C53H52N8O9S 977.113000 |
GDUPOTCODJXPBK-IKOGVKPPSA-N | P40337, Q15369, Q15370 | von Hippel-Lindau disease tumor suppressor |
BindingDB, PubChem
BindingDB:BDBM536295; PubChem:CID158226002
|
Local ready
Direct docking supported
|
|
E3L023754
BDB023754
|
US11242344, Example 1004.4
C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOCC#CC#CCOc4cc([C@@H](C(=O)N5C[C@H](O)C[C@@H]5C5=NC(=O)[C@](C)(c6ccc(-c7scnc7C)cc6)N5)C(C)C)on4)cc23)c1
|
C53H52N8O9S 977.113000 |
GDUPOTCODJXPBK-JTZWRRJCSA-N | P40337, Q15369, Q15370 | von Hippel-Lindau disease tumor suppressor |
BindingDB, PubChem
BindingDB:BDBM536297; PubChem:CID158226003
|
Local ready
Direct docking supported
|
|
E3L023755
BDB023755
|
US11242344, Example 1005.1
Cc1ncsc1-c1ccc([C@]2(C)NC([C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCNC(=O)c3cc4c(cc3CS(C)(=O)=O)-c3cn(C)c(=O)c5[nH]cc(c35)CN4c3ncc(F)cc3F)C(C)(C)C)=NC2=O)cc1
|
C58H68F2N10O8S2 1135.374000 |
HHQFIKPEYIINFS-BXRAFSRASA-N | P40337, Q15369, Q15370 | von Hippel-Lindau disease tumor suppressor |
BindingDB, PubChem
BindingDB:BDBM536299; PubChem:CID142572383
|
Local ready
Direct docking supported
|
|
E3L023756
BDB023756
|
BDBM536422
C[C@H]1CN(C)CCN1c1cc(NC(=O)Cn2cc(-c3cc(C(N)=O)c(O)c(F)c3F)c3c(=O)n4c(nc32)CCC4)c(Cl)c(F)n1
|
C29H28ClF3N8O4 645.042000 |
LGAFZGSECXDYIR-ZDUSSCGKSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB
BindingDB:BDBM536422
|
Local ready
Direct docking supported
|
|
E3L023757
BDB023757
|
BDBM536423
C[C@H]1COCCN1c1cc(NC(=O)Cn2cc(-c3cc(Cl)c(O)c(C(N)=O)c3)c3c(=O)n4c(nc32)CCC4)c(Cl)cn1
|
C28H27Cl2N7O5 612.474000 |
PTZIPKBVSWCPSC-AWEZNQCLSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB
BindingDB:BDBM536423
|
Local ready
Direct docking supported
|
|
E3L023758
BDB023758
|
BDBM536424
C[C@H]1COCCN1c1cc(NC(=O)Cn2cc(-c3cc(C(N)=O)c(O)c(F)c3F)c3c(=O)n4c(nc32)CCC4)c(Cl)cn1
|
C28H26ClF2N7O5 614.009000 |
MBLMLNTUJWHBSJ-ZDUSSCGKSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB
BindingDB:BDBM536424
|
Local ready
Direct docking supported
|
|
E3L023759
BDB023759
|
BDBM536425
C[C@H]1CN(C)CCN1c1cc(NC(=O)Cn2cc(-c3cc(C(N)=O)c(O)c(F)c3F)c3c(=O)n4c(nc32)CCC4)c(Cl)cn1
|
C29H29ClF2N8O4 627.052000 |
UPWACBOVNACRFH-AWEZNQCLSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB
BindingDB:BDBM536425
|
Local ready
Direct docking supported
|
|
E3L023760
BDB023760
|
BDBM536426
C[C@H]1COCCN1c1cc(NC(=O)Cn2cc(-c3cc(C(N)=O)c(O)c(F)c3F)c3c(=O)n4c(nc32)CCC4)c(Cl)c(F)n1
|
C28H25ClF3N7O5 631.999000 |
GYAXGYBIYNGRAF-LBPRGKRZSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB
BindingDB:BDBM536426
|
Local ready
Direct docking supported
|