| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L056961
BDB056961
|
BDBM50457215
Nc1nc(-c2ccccc2)nn1C(=O)c1cccc([N+](=O)[O-])c1
|
C15H11N5O3 309.285000 |
YSDPMQKSXIKGNI-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50457215; PubChem:CID974948
|
Local ready
Direct docking supported
|
|
E3L056962
BDB056962
|
BDBM50457216
Cc1ccc2nc(/C(C#N)=C/c3ccccc3)[nH]c2c1
|
C17H13N3 259.312000 |
NRCCRFCRDDVDSV-GXDHUFHOSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50457216; PubChem:CID5738808
|
Local ready
Direct docking supported
|
|
E3L056963
BDB056963
|
BDBM50457217
COc1ccc(/C=C(\C#N)c2nc3ccc(C)cc3[nH]2)cc1
|
C18H15N3O 289.338000 |
IIHIUZKFBWYACL-GXDHUFHOSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50457217; PubChem:CID5284931
|
Local ready
Direct docking supported
|
|
E3L056964
BDB056964
|
1-(4-Chlorobenzoyl)-1H-benzotriazole
O=C(c1ccc(Cl)cc1)n1nnc2ccccc21
|
C13H8ClN3O 257.680000 |
BLJBQVQHDXUDTE-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50457218; PubChem:CID746939
|
Local ready
Direct docking supported
|
|
E3L056965
BDB056965
|
Benzotriazol-1-yl-(5-bromofuran-2-yl)methanone
O=C(c1ccc(Br)o1)n1nnc2ccccc21
|
C11H6BrN3O2 292.092000 |
IKNULUNMDGUJRH-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50457219; PubChem:CID871570
|
Local ready
Direct docking supported
|
|
E3L056966
BDB056966
|
BDBM50459788
CCOc1ccc(C(C)=O)cc1Nc1cc(C(=O)OC)cc(C(=O)OC)c1
|
C20H21NO6 371.389000 |
UNAGVZCODUSBMG-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50459788; PubChem:CID131953424
|
Local ready
Direct docking supported
|
|
E3L056967
BDB056967
|
BDBM50459789
CCOc1ccc(C(C)=O)cc1Nc1ccc2c(c1)N(S(C)(=O)=O)CC2
|
C19H22N2O4S 374.462000 |
RQTBYFUCRQFPAU-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50459789; PubChem:CID145976144
|
Local ready
Direct docking supported
|
|
E3L056968
BDB056968
|
BDBM50459790
CCOc1ccc(C(C)=O)cc1-c1cc(NC(=O)c2ccco2)cc(-c2c(C)on(CC)c2=O)c1
|
C27H26N2O6 474.513000 |
HJDBFGUURXLNGK-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50459790; PubChem:CID134812727
|
Local ready
Direct docking supported
|
|
E3L056969
BDB056969
|
BDBM50459791
CCOc1ccc(C(C)=O)cc1-c1cc(NC(=O)c2ccco2)cc(-c2c(C)noc2C)c1
|
C26H24N2O5 444.487000 |
WQLADCZJBORKGE-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50459791; PubChem:CID134812728
|
Local ready
Direct docking supported
|
|
E3L056970
BDB056970
|
BDBM50459792
CCOc1ccc(C(C)=O)cc1-c1cccc(-c2nn[nH]n2)c1
|
C17H16N4O2 308.341000 |
XRDCFDYQIVETFM-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50459792; PubChem:CID131955090
|
Local ready
Direct docking supported
|
|
E3L056971
BDB056971
|
BDBM50459793
CCOc1ccc(C(C)=O)cc1NC(=O)c1cc(NC(C)=O)cc(NC(=O)c2ccco2)c1
|
C24H23N3O6 449.463000 |
CERSGKCXWDUOHE-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50459793; PubChem:CID132275014
|
Local ready
Direct docking supported
|
|
E3L056972
BDB056972
|
BDBM50459794
Cn1cc(C(=O)Nc2cccc(C(=O)O)c2)ccc1=O
|
C14H12N2O4 272.260000 |
BLNCOMMFECMGRC-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50459794; PubChem:CID122362337
|
Local ready
Direct docking supported
|
|
E3L056973
BDB056973
|
BDBM50459795
CCOc1ccc(C(C)=O)cc1NC(=O)c1cc(-c2cscn2)cc(-c2nn[nH]n2)c1
|
C21H18N6O3S 434.481000 |
BCRZPXIIINLQPD-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50459795; PubChem:CID131955089
|
Local ready
Direct docking supported
|
|
E3L056974
BDB056974
|
Methyl 3-(7~{h}-Purin-6-Ylcarbamoyl)benzoate
COC(=O)c1cccc(C(=O)Nc2ncnc3nc[nH]c23)c1
|
C14H11N5O3 297.274000 |
NEJKFBOKJSVKCS-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50459796; PubChem:CID123132879
|
Local ready
Direct docking supported
|
|
E3L056975
BDB056975
|
BDBM50459797
CCOc1ccc(C(C)=O)cc1-c1cccc(N2CCCC(F)(F)C2)c1
|
C21H23F2NO2 359.416000 |
SEPRJZNGZUHEJW-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50459797; PubChem:CID134812726
|
Local ready
Direct docking supported
|
|
E3L056976
BDB056976
|
BDBM50459798
CCOc1ccc(C(C)=O)cc1-c1cc(NC(=O)c2ccco2)cc(-c2c(C)on(C)c2=O)c1
|
C26H24N2O6 460.486000 |
STAVPWADWLEVHH-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50459798; PubChem:CID134812725
|
Local ready
Direct docking supported
|
|
E3L056977
BDB056977
|
BDBM50459799
CCOc1ccc(C(C)=O)cc1NC(=O)c1ccc(OCCN2CCNCC2)c(C(=O)OC)c1
|
C25H31N3O6 469.538000 |
LQHWWGHAUAZICR-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50459799; PubChem:CID118626453
|
Local ready
Direct docking supported
|
|
E3L056978
BDB056978
|
BDBM50459876
CC(=O)N1c2ccc(-c3ccc(C(=O)NCCOCCOCCOCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCc4ccc(-c5scnc5C)cc4)C(C)(C)C)cc3)cc2[C@H](Nc2ccc(Cl)cc2)C[C@@H]1C
|
C55H66ClN7O9S 1036.693000 |
FYSWLIFIYIVHPI-DDWISSAJSA-N | Q15369 | Elongin-C |
BindingDB
BindingDB:BDBM50459876
|
Local ready
Direct docking supported
|
|
E3L056979
BDB056979
|
BDBM50459877
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCNC(=O)C[C@@H]2N=C(c3ccc(Cl)cc3)c3c(sc(C)c3C)-n3c(C)nnc32)C(C)(C)C)cc1
|
C47H56ClN9O7S2 958.608000 |
UAQDCZFGBBSHLT-PBSGCNNPSA-N | Q15369 | Elongin-C |
BindingDB
BindingDB:BDBM50459877
|
Local ready
Direct docking supported
|
|
E3L056980
BDB056980
|
BDBM50459878
CC(=O)N1c2ccc(-c3ccc(C(=O)NCCOCCOCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCc4ccc(-c5scnc5C)cc4)C(C)(C)C)cc3)cc2[C@H](Nc2ccc(Cl)cc2)C[C@@H]1C
|
C53H62ClN7O8S 992.640000 |
AIFXAXRMMBWMAG-OVLUFEKXSA-N | Q15369 | Elongin-C |
BindingDB
BindingDB:BDBM50459878
|
Local ready
Direct docking supported
|