| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L001961
BDB001961
|
BDBM36904
COc1ccc(C(=O)C2C(=O)C(=O)N(CC3CCCO3)C2c2cccc(OC)c2)cc1
|
C24H25NO6 423.465000 |
ZLWUGVSKADTVOZ-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM36904; PubChem:CID91896262
|
Local ready
Direct docking supported
|
|
E3L001962
BDB001962
|
BDBM36947
COC(=O)CS(=O)(=O)c1nnc([C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)o1
|
C18H23N3O7S 425.463000 |
OQDBMGNDSYELAE-ZDUSSCGKSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM36947; PubChem:CID665535
|
Local ready
Direct docking supported
|
|
E3L001963
BDB001963
|
N-(2-tert-butylsulfanylethyl)benzenesulfonamide
CC(C)(C)SCCNS(=O)(=O)c1ccccc1
|
C12H19NO2S2 273.423000 |
JZCSSWGQCGUTIB-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM37248; PubChem:CID2277133
|
Local ready
Direct docking supported
|
|
E3L001964
BDB001964
|
BDBM37302
COc1ccc2c(c1)CCc1c(C(=O)Nc3cc(C)n(Cc4ccc(Cl)cc4)n3)noc1-2
|
C24H21ClN4O3 448.910000 |
RPMGRWSWGYXZOA-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM37302; PubChem:CID3242904
|
Local ready
Direct docking supported
|
|
E3L001965
BDB001965
|
BDBM37413
COc1ccc2c(c1)CCc1c(C(=O)NCc3cccnc3)noc1-2
|
C19H17N3O3 335.363000 |
IDPPIZVOMYKNMR-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM37413; PubChem:CID3241578
|
Local ready
Direct docking supported
|
|
E3L001966
BDB001966
|
BDBM37752
CCOC(=O)N1CCN(c2cc(NCCC(=O)O)c3c4c(onc24)-c2ccccc2C3=O)CC1
|
C24H24N4O6 464.478000 |
VBSAWBHQPLRZNO-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM37752; PubChem:CID3245701
|
Local ready
Direct docking supported
|
|
E3L001967
BDB001967
|
BDBM38235
CC(=O)N1CCC(N2CCN(c3ccccc3F)CC2)CC1
|
C17H24FN3O 305.397000 |
DGZHDCOAURPHLR-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM38235; PubChem:CID743199
|
Local ready
Direct docking supported
|
|
E3L001968
BDB001968
|
2-(2,5-Dimethyl-phenyl)-benzooxazol-5-ylamine
Cc1ccc(C)c(-c2nc3cc(N)ccc3o2)c1
|
C15H14N2O 238.290000 |
MIEJFZAQVLWYJH-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM38276; PubChem:CID649840
|
Local ready
Direct docking supported
|
|
E3L001969
BDB001969
|
BDBM38580
O=c1c2ccccc2nnn1CSc1nnc(-c2cccs2)n1Cc1ccccc1
|
C21H16N6OS2 432.534000 |
JAJRLWYJKXCGAY-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM38580; PubChem:CID2125695
|
Local ready
Direct docking supported
|
|
E3L001970
BDB001970
|
BDBM38594
O=C(NCc1n[nH]c(=S)n1-c1ccccc1)c1ccco1
|
C14H12N4O2S 300.343000 |
BMWGHJJJCAITRO-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM38594; PubChem:CID3237191
|
Local ready
Direct docking supported
|
|
E3L001971
BDB001971
|
BDBM38595
Cn1c(COc2ccc(Cl)cc2)nc2ccccc2c1=O
|
C16H13ClN2O2 300.745000 |
DBGICQIDMMUZNS-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM38595; PubChem:CID583515
|
Local ready
Direct docking supported
|
|
E3L001972
BDB001972
|
BDBM38667
O=C(O)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O
|
C16H13NO3 267.284000 |
PNOHRUSRGMQJPS-CQSZACIVSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM38667; PubChem:CID5308032
|
Local ready
Direct docking supported
|
|
E3L001973
BDB001973
|
BDBM38756
COc1cc(OC)cc(C(=O)N2CCN(Cc3ccccc3C(F)(F)F)CC2)c1
|
C21H23F3N2O3 408.420000 |
JYZGTYPWUNFLRA-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM38756; PubChem:CID1148190
|
Local ready
Direct docking supported
|
|
E3L001974
BDB001974
|
BDBM38802
CCOC(=O)C(C(=O)OCC)c1cc(Br)c2noc3c2c1C(=O)c1ccccc1-3
|
C21H16BrNO6 458.264000 |
HFSGTAOLUKMOQF-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM38802; PubChem:CID659226
|
Local ready
Direct docking supported
|
|
E3L001975
BDB001975
|
2-(2-Phenylethyl)-1,3(2H,4H)-isoquinolinedione
O=C1Cc2ccccc2C(=O)N1CCc1ccccc1
|
C17H15NO2 265.312000 |
IAHXZWGZTKAXQE-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM38837; PubChem:CID713096
|
Local ready
Direct docking supported
|
|
E3L001976
BDB001976
|
BDBM38876
COc1cccc(Cn2c(NCc3ccco3)nc3c2c(=O)n(C)c(=O)n3C)c1
|
C20H21N5O4 395.419000 |
HFEYLXPUSONHDB-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM38876; PubChem:CID657698
|
Local ready
Direct docking supported
|
|
E3L001977
BDB001977
|
BDBM38893
CC(NC(=O)Nc1nnc(C(F)(F)F)s1)(C(F)(F)F)C(F)(F)F
|
C8H5F9N4OS 376.204000 |
KOWJQOYLMHWFCV-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM38893; PubChem:CID659661
|
Local ready
Direct docking supported
|
|
E3L001978
BDB001978
|
BDBM39037
CCOc1ccc(-c2noc(CCC(=O)O)n2)cc1
|
C13H14N2O4 262.265000 |
WKJJPENOGQVARC-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM39037; PubChem:CID5307115
|
Local ready
Direct docking supported
|
|
E3L001979
BDB001979
|
5-Benzoyloxy-1(2H)-isoquinolinone
O=C(Oc1cccc2c(=O)[nH]ccc12)c1ccccc1
|
C16H11NO3 265.268000 |
FFWUPFYTTMMSTH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM39220; PubChem:CID659976
|
Local ready
Direct docking supported
|
|
E3L001980
BDB001980
|
BDBM39392
COc1ccc2[nH]c(C(=O)O)c(CCNC(C)=O)c2c1
|
C14H16N2O4 276.292000 |
JISUWGUTYVGVCN-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM39392; PubChem:CID608124
|
Local ready
Direct docking supported
|