| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L064521
BDB064521
|
BDBM50635628
CN1CCN(c2ccc(C(=O)n3nc(-c4ccncc4)nc3N)cc2)CC1
|
C19H21N7O 363.425000 |
WCQJETGVKCALGK-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50635628; PubChem:CID177374233
|
Local ready
Direct docking supported
|
|
E3L064522
BDB064522
|
BDBM50635629
CN(C)CCN(C)c1ccc(C(=O)n2nc(-c3ccccn3)nc2N)cc1
|
C19H23N7O 365.441000 |
MRJYLUJRNFPSNR-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50635629; PubChem:CID171784644
|
Local ready
Direct docking supported
|
|
E3L064523
BDB064523
|
BDBM50635630
CC(C)N1CCN(c2ccc(C(=O)n3nc(-c4ccccn4)nc3N)cc2)CC1
|
C21H25N7O 391.479000 |
RITGEWSRTUAHPW-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50635630; PubChem:CID177374234
|
Local ready
Direct docking supported
|
|
E3L064524
BDB064524
|
BDBM50635631
Cc1cc(C(=O)n2nc(-c3ccccn3)nc2N)ccc1N1CCN(C(C)C)CC1
|
C22H27N7O 405.506000 |
HVGNHMUEHFRMDZ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50635631; PubChem:CID177374235
|
Local ready
Direct docking supported
|
|
E3L064525
BDB064525
|
BDBM50635632
CC(C)N1CCN(c2ccc(C(=O)n3nc(-c4ccc(F)cn4)nc3N)cc2)CC1
|
C21H24FN7O 409.469000 |
XIYZNYKXIBINGW-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50635632; PubChem:CID177374236
|
Local ready
Direct docking supported
|
|
E3L064526
BDB064526
|
BDBM50635633
CC(C)N1CCN(c2ccc(C(=O)n3nc(-c4ccc(Cl)cn4)nc3N)cc2)CC1
|
C21H24ClN7O 425.924000 |
WQBHPDOLPZWZOH-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50635633; PubChem:CID177374237
|
Local ready
Direct docking supported
|
|
E3L064527
BDB064527
|
BDBM50635634
CC(C)N1CCN(c2ccc(C(=O)n3nc(-c4ccccn4)nc3N)c3ccccc23)CC1
|
C25H27N7O 441.539000 |
FVIOGCSRFRGENP-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50635634; PubChem:CID177374238
|
Local ready
Direct docking supported
|
|
E3L064528
BDB064528
|
BDBM50635635
CC(C)N1CCN(c2ccc(C(=O)n3nc(-c4ccccn4)nc3N)c3c2OCCO3)CC1
|
C23H27N7O3 449.515000 |
XVAWMHXVTPZRSI-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50635635; PubChem:CID177374239
|
Local ready
Direct docking supported
|
|
E3L064529
BDB064529
|
BDBM50635636
Nc1nc(-c2ccccn2)nn1C(=O)c1ccc(N2CCN(C3CC3)CC2)c2ccccc12
|
C25H25N7O 439.523000 |
IPSGBNZYBXZBIP-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50635636; PubChem:CID177374240
|
Local ready
Direct docking supported
|
|
E3L064530
BDB064530
|
BDBM50635637
Nc1nc(-c2ccccn2)nn1C(=O)c1ccc(N2CCN(C3COC3)CC2)c2ccccc12
|
C25H25N7O2 455.522000 |
RPDOPYXHPFECBW-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50635637; PubChem:CID177374241
|
Local ready
Direct docking supported
|
|
E3L064531
BDB064531
|
BDBM50635638
Nc1nc(-c2ccccn2)nn1C(=O)c1ccc(N2CCN(C3CCCC3)CC2)c2ccccc12
|
C27H29N7O 467.577000 |
ANQRKNCAVXXOTC-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50635638; PubChem:CID177374242
|
Local ready
Direct docking supported
|
|
E3L064532
BDB064532
|
BDBM50635639
Nc1nc(-c2ccccn2)nn1C(=O)c1ccc(N2CCN(C3CCCCC3)CC2)c2ccccc12
|
C28H31N7O 481.604000 |
XIMSDLRTENJSRZ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50635639; PubChem:CID177374243
|
Local ready
Direct docking supported
|
|
E3L064533
BDB064533
|
BDBM50635640
CN(C)C(=O)N1CCN(c2ccc(C(=O)n3nc(-c4ccccn4)nc3N)c3ccccc23)CC1
|
C25H26N8O2 470.537000 |
IFINMXJTXCJNRA-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50635640; PubChem:CID177374244
|
Local ready
Direct docking supported
|
|
E3L064534
BDB064534
|
BDBM50635641
CC(C)S(=O)(=O)N1CCN(c2ccc(C(=O)n3nc(-c4ccccn4)nc3N)c3ccccc23)CC1
|
C25H27N7O3S 505.604000 |
SQFKBDBHPWVXBL-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50635641; PubChem:CID177374245
|
Local ready
Direct docking supported
|
|
E3L064535
BDB064535
|
FXIIa-IN-5
CC(C)N1CCCN(c2ccc(C(=O)n3nc(-c4ccccn4)nc3N)c3ccccc23)CC1
|
C26H29N7O 455.566000 |
QMKLOIDZBNHGIV-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50635642; PubChem:CID172638513
|
Local ready
Direct docking supported
|
|
E3L064536
BDB064536
|
BDBM50635643
Nc1nccc2c(NCC34COC(COc5ccn6ccnc6c5)(C3)C4)cccc12
|
C23H23N5O2 401.470000 |
XHRJDUDXRVEJDI-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50635643; PubChem:CID164902469
|
Local ready
Direct docking supported
|
|
E3L064537
BDB064537
|
Azd9574
CNC(=O)c1ccc(N2CCN(Cc3ccc4nc(C)c(=O)[nH]c4c3F)CC2)c(F)n1
|
C21H22F2N6O2 428.443000 |
WXRCLFFPZXJCLS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50635713; PubChem:CID162524593
|
Local ready
Direct docking supported
|
|
E3L064538
BDB064538
|
BDBM50635855
Cn1nnnc1Sc1cc(-c2ccccc2)nc2ncnn12
|
C13H10N8S 310.346000 |
UZDGLKXJZQASKE-UHFFFAOYSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM50635855; PubChem:CID171345204
|
Local ready
Direct docking supported
|
|
E3L064539
BDB064539
|
BDBM50635881
Cc1cc(Nc2cc(N3CCNCC3)nc(Nc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1
|
C22H27N9O 433.520000 |
XIRIJHPESRRPNP-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50635881; PubChem:CID177374300
|
Local ready
Direct docking supported
|
|
E3L064540
BDB064540
|
BDBM50635909
COc1ccc2cc3[n+](cc2c1OC)CCOc1cc2c(cc1-3)OCO2
|
C20H18NO5+ 352.366000 |
BWDIFRBDJLZVFD-UHFFFAOYSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50635909; PubChem:CID177374318
|
Local ready
Direct docking supported
|