| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L020861
BDB020861
|
BDBM498161
CC(C)S(=O)(=O)N1CC=C(c2cnc(NCc3c(F)ccc4c3CCO4)n3cnnc23)CC1
|
C22H25FN6O3S 472.546000 |
QUCCBUUUAXXXKV-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM498161; PubChem:CID138515993
|
Local ready
Direct docking supported
|
|
E3L020862
BDB020862
|
BDBM498162
CN1CCC(c2cnc(NCc3c(F)ccc4c3CCO4)n3cnnc23)=CC1=O
|
C20H19FN6O2 394.410000 |
KIRCKTNYAUIENF-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM498162; PubChem:CID138516071
|
Local ready
Direct docking supported
|
|
E3L020863
BDB020863
|
BDBM498163
CN1CCC(c2cnc(NCc3c(F)ccc4c3CCO4)n3cnnc23)CC1=O
|
C20H21FN6O2 396.426000 |
UBEPSDIRLHHNCK-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM498163; PubChem:CID138516078
|
Local ready
Direct docking supported
|
|
E3L020864
BDB020864
|
BDBM498164
CC(=O)N1CCC=C(c2cnc(NCc3c(F)ccc4c3CCO4)n3cnnc23)CC1
|
C22H23FN6O2 422.464000 |
ZGXXQCAPJPASHX-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM498164; PubChem:CID138516216
|
Local ready
Direct docking supported
|
|
E3L020865
BDB020865
|
BDBM498165
COC(=O)N1CCC=C(c2cnc(NCc3c(F)ccc4c3CCO4)n3cnnc23)CC1
|
C22H23FN6O3 438.463000 |
SQRUTRRYZYPVRD-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM498165; PubChem:CID138515941
|
Local ready
Direct docking supported
|
|
E3L020866
BDB020866
|
BDBM498166
CS(=O)(=O)N1CCC=C(c2cnc(NCc3c(F)ccc4c3CCO4)n3cnnc23)CC1
|
C21H23FN6O3S 458.519000 |
YRMUTFZXZBHCGR-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM498166; PubChem:CID138516212
|
Local ready
Direct docking supported
|
|
E3L020867
BDB020867
|
BDBM498167
CC1(C)C=C(c2cnc(NCc3c(F)ccc4c3CCO4)n3cnnc23)CC(C)(C)O1
|
C23H26FN5O2 423.492000 |
LXODDFRAFZGHBG-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM498167; PubChem:CID138516355
|
Local ready
Direct docking supported
|
|
E3L020868
BDB020868
|
BDBM498168
CC1CC(c2cnc(NCc3c(F)ccc4c3CCO4)n3cnnc23)=CCO1
|
C20H20FN5O2 381.411000 |
BBEBUGPCQGKOCR-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM498168; PubChem:CID138516354
|
Local ready
Direct docking supported
|
|
E3L020869
BDB020869
|
BDBM498169
CC1C=C(c2cnc(NCc3c(F)ccc4c3CCO4)n3cnnc23)CCO1
|
C20H20FN5O2 381.411000 |
AOIKGMYDDAATGY-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM498169; PubChem:CID138516097
|
Local ready
Direct docking supported
|
|
E3L020870
BDB020870
|
BDBM498170
CC1(C)C=C(c2cnc(NCc3c(F)ccc4c3CCO4)n3cnnc23)CCO1
|
C21H22FN5O2 395.438000 |
SUDKBMFBFAGOBI-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM498170; PubChem:CID138515940
|
Local ready
Direct docking supported
|
|
E3L020871
BDB020871
|
BDBM498171
CC1(C)CC(c2cnc(NCc3c(F)ccc4c3CCO4)n3cnnc23)CCO1
|
C21H24FN5O2 397.454000 |
DHAGTXOTXDTYPM-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM498171; PubChem:CID138515943
|
Local ready
Direct docking supported
|
|
E3L020872
BDB020872
|
Tegtociclib
COCc1cc(C(=O)Nc2cc([C@H]3CC[C@@H](OC(=O)NC(C)C)C3)[nH]n2)n(C)n1
|
C19H28N6O4 404.471000 |
MTNBRBDFNSGQKB-GXTWGEPZSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM498185; PubChem:CID154616422
|
Local ready
Direct docking supported
|
|
E3L020873
BDB020873
|
US11014911, Example 15
Cc1cc(CC(=O)Nc2cc([C@H]3CC[C@@H](OC(=O)NC4(C)CC4)C3)[nH]n2)on1
|
C19H25N5O4 387.440000 |
IJIGRXABGQBDBA-QWHCGFSZSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM498187; PubChem:CID154616850
|
Local ready
Direct docking supported
|
|
E3L020874
BDB020874
|
BDBM498893
Cc1cnc(C(=O)N[C@@H]2CCN(C(=O)[C@@H](CC3CCCCC3)NC3CCCCC3)C[C@@H]2C(=O)NCc2ccc3[nH]cc(Cl)c3c2)s1
|
C35H47ClN6O3S 667.320000 |
KWPACCMRRRHMPE-LXLYTFERSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM498893; PubChem:CID142354492
|
Local ready
Direct docking supported
|
|
E3L020875
BDB020875
|
BDBM498894
Cc1cnc(C(=O)NC2CCN(C(=O)[C@@H](CC3CCCCC3)NC3CCCCC3)CC2C(=O)NCc2ccc(CN)cc2)s1
|
C34H50N6O3S 622.880000 |
FYZWIKCIWPOXNX-QGVFFIPKSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM498894; PubChem:CID154623822
|
Local ready
Direct docking supported
|
|
E3L020876
BDB020876
|
BDBM498895
Cc1cnc(C(=O)N[C@@H]2CCN(C(=O)[C@@H](CCCCN)NC3CCCCC3)C[C@@H]2C(=O)NCc2cccs2)s1
|
C28H42N6O3S2 574.817000 |
WCKNQCHPORNTNR-RBZQAINGSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM498895; PubChem:CID154623827
|
Local ready
Direct docking supported
|
|
E3L020877
BDB020877
|
BDBM498896
Cc1cnc(C(=O)N[C@@H]2CCN(C(=O)[C@@H](CC3CCCCC3)NC3CCCCC3)C[C@@H]2C(=O)NCc2ccnc(N)c2)s1
|
C32H47N7O3S 609.841000 |
KAANWQDHKDHCIJ-OYUWMTPXSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM498896; PubChem:CID154623852
|
Local ready
Direct docking supported
|
|
E3L020878
BDB020878
|
BDBM498897
CN(C)CCCC[C@H](C(=O)N1CC[C@@H](NC(=O)c2ccc(F)cc2)[C@@H](C(=O)NCc2cccs2)C1)N(C)C1CCCCC1
|
C33H48FN5O3S 613.844000 |
ZDBTUCOXLMAXBH-FRXPANAUSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM498897; PubChem:CID154623849
|
Local ready
Direct docking supported
|
|
E3L020879
BDB020879
|
BDBM498899
CN(C)CCCC[C@H](C(=O)N1CC[C@@H](NC(=O)c2ccc(F)cc2F)[C@@H](C(=O)NCc2cccs2)C1)N(C)C1CCCCC1
|
C33H47F2N5O3S 631.834000 |
GAKCZUSURZASNH-GNSPLJBXSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM498899; PubChem:CID154623855
|
Local ready
Direct docking supported
|
|
E3L020880
BDB020880
|
BDBM498900
CN(C)CCCC[C@H](C(=O)N1CC[C@@H](NC(=O)c2ccccc2)[C@@H](C(=O)NCc2cccs2)C1)N(C)C1CCCCC1
|
C33H49N5O3S 595.854000 |
BLQYSCPOWWJGFF-FRXPANAUSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM498900; PubChem:CID154623842
|
Local ready
Direct docking supported
|