| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L001781
BDB001781
|
BDBM33471
Cc1ccc(-c2cc(-c3ccccc3)c3c(N)c(S(C)(=O)=O)sc3n2)cc1
|
C21H18N2O2S2 394.521000 |
AIEWVFVRSMCKDO-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM33471; PubChem:CID1316236
|
Local ready
Direct docking supported
|
|
E3L001782
BDB001782
|
BDBM33472
COc1cc(C(=O)n2nc(C)cc2C)ccc1O
|
C13H14N2O3 246.266000 |
YRCJQSOMTKRNQO-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM33472; PubChem:CID1485768
|
Local ready
Direct docking supported
|
|
E3L001783
BDB001783
|
2-(3-methoxyphenyl)-4H-3,1-benzoxazin-4-one
COc1cccc(-c2nc3ccccc3c(=O)o2)c1
|
C15H11NO3 253.257000 |
DVJLPHFMBUSVQN-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM33473; PubChem:CID699931
|
Local ready
Direct docking supported
|
|
E3L001784
BDB001784
|
BDBM33474
CCn1c(C)c(C(C)=O)c(N2CCN(c3ccccc3)CC2)nc1=S
|
C19H24N4OS 356.495000 |
RTDIDWVVPJYUCA-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM33474; PubChem:CID1345918
|
Local ready
Direct docking supported
|
|
E3L001785
BDB001785
|
BDBM33475
CC(=O)Oc1oc(-c2ccccc2)nc1/C=N/c1ccccc1
|
C18H14N2O3 306.321000 |
VXKKMMKQCRPJRL-XDHOZWIPSA-N | P00748 | Coagulation factor XII |
BindingDB
BindingDB:BDBM33475
|
Local ready
Direct docking supported
|
|
E3L001786
BDB001786
|
BDBM33476
Cc1ccc(C(=O)Oc2oc(-c3ccco3)nc2/C=N/c2ccc(Cl)cc2)cc1
|
C22H15ClN2O4 406.825000 |
XBMPBTVFQASWDA-ZMOGYAJESA-N | P00748 | Coagulation factor XII |
BindingDB
BindingDB:BDBM33476
|
Local ready
Direct docking supported
|
|
E3L001787
BDB001787
|
BDBM33477
COC(=O)[C@H](C)NC(=O)NC(C)CCc1ccccc1
|
C15H22N2O3 278.352000 |
JVANZOQBPDRQRF-KIYNQFGBSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM33477; PubChem:CID9551838
|
Local ready
Direct docking supported
|
|
E3L001788
BDB001788
|
BDBM33478
CC(C)C(C)(C#N)NC(=O)CSc1nnc(C(F)(F)F)n1C
|
C12H16F3N5OS 335.355000 |
PNASGHGYIRUXOX-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM33478; PubChem:CID9551871
|
Local ready
Direct docking supported
|
|
E3L001789
BDB001789
|
BDBM33479
CC(/N=c1\ccccn1C(=O)Nc1cccc(C(F)(F)F)c1)c1ccco1
|
C19H16F3N3O2 375.350000 |
KXEUIJWKGSCQCR-HAVVHWLPSA-N | P00748 | Coagulation factor XII |
BindingDB
BindingDB:BDBM33479
|
Local ready
Direct docking supported
|
|
E3L001790
BDB001790
|
BDBM33480
COC(=O)c1nnc(NC(=O)c2ccc(Br)cc2)[nH]1
|
C11H9BrN4O3 325.122000 |
LXMVXHNZRJORHN-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM33480; PubChem:CID2316100
|
Local ready
Direct docking supported
|
|
E3L001791
BDB001791
|
methyl 3-benzamido-1H-1,2,4-triazole-5-carboxylate
COC(=O)c1nnc(NC(=O)c2ccccc2)[nH]1
|
C11H10N4O3 246.226000 |
AHBGDSREPWVVFA-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM33481; PubChem:CID2314281
|
Local ready
Direct docking supported
|
|
E3L001792
BDB001792
|
BDBM33482
Cc1cccc(C)c1OCC(=O)N[N-][CH+]c1cc2c(cc1[N+](=O)[O-])OCO2
|
C18H17N3O6 371.349000 |
WDHALLBDPGWXSU-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB
BindingDB:BDBM33482
|
Local ready
Direct docking supported
|
|
E3L001793
BDB001793
|
BDBM33517
CN(C)C(=O)CSc1nnc([C@@H](N)Cc2ccccc2)o1
|
C14H18N4O2S 306.391000 |
HEKKIESHBHLKTQ-NSHDSACASA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM33517; PubChem:CID663064
|
Local ready
Direct docking supported
|
|
E3L001794
BDB001794
|
BDBM33531
COC(=O)c1nnc(NC(=O)c2ccc(Cl)cc2)[nH]1
|
C11H9ClN4O3 280.671000 |
GYUHSNYCJOUHNH-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM33531; PubChem:CID2314714
|
Local ready
Direct docking supported
|
|
E3L001795
BDB001795
|
BDBM33570
CCOC(=O)N1CCN(C(=O)C2CCCN(S(=O)(=O)c3cc(C)ccc3OC)C2)CC1
|
C21H31N3O6S 453.561000 |
YHJFYGDZVTVVJQ-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM33570; PubChem:CID2974580
|
Local ready
Direct docking supported
|
|
E3L001796
BDB001796
|
BDBM33581
COc1ccc(CC(=O)n2nc(-c3cccnc3)nc2N)cc1
|
C16H15N5O2 309.329000 |
GTLWZDWHNMMHMP-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM33581; PubChem:CID970094
|
Local ready
Direct docking supported
|
|
E3L001797
BDB001797
|
BDBM33585
Nc1nc(-c2ccc(Cl)cc2)nn1C(=O)c1cccnc1
|
C14H10ClN5O 299.721000 |
KDIAEHHBYNODDR-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM33585; PubChem:CID971718
|
Local ready
Direct docking supported
|
|
E3L001798
BDB001798
|
BDBM33601
COc1ccccc1C(=O)n1nc(-c2cccnc2)nc1N
|
C15H13N5O2 295.302000 |
YLUMVCNEFHTQHD-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM33601; PubChem:CID971668
|
Local ready
Direct docking supported
|
|
E3L001799
BDB001799
|
BDBM33602
Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(C(=O)NCCC2=CCCCC2)CC1
|
C20H32N4O3S 408.568000 |
GADXWBJJAUFVDI-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM33602; PubChem:CID5308059
|
Local ready
Direct docking supported
|
|
E3L001800
BDB001800
|
BDBM33609
Nc1nc(C(=O)N2CCOCC2)nn1C(=O)c1ccc(Cl)cc1
|
C14H14ClN5O3 335.751000 |
VCXQPXLAECQIKZ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM33609; PubChem:CID3586649
|
Local ready
Direct docking supported
|