Found 29 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50242359
(CHEMBL4083729)Show SMILES CN1Cc2cc(NC(=O)OCCc3c(C)cc(cc3C)[C@@H](Nc3ccc4cc[nH]c(=O)c4c3)C1=O)ccc2S(=O)(=O)C1CC1 |r| Show InChI InChI=1S/C33H34N4O6S/c1-19-14-22-15-20(2)27(19)11-13-43-33(40)36-24-6-9-29(44(41,42)26-7-8-26)23(16-24)18-37(3)32(39)30(22)35-25-5-4-21-10-12-34-31(38)28(21)17-25/h4-6,9-10,12,14-17,26,30,35H,7-8,11,13,18H2,1-3H3,(H,34,38)(H,36,40)/t30-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of tissue factor activated recombinant human coagulation factor 7a expressed in hamster BHK cells using S2288 as substrate pretreated for ... |
Bioorg Med Chem Lett 27: 2650-2654 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.008
BindingDB Entry DOI: 10.7270/Q29P3420 |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50242363
(CHEMBL4095879)Show SMILES Cc1cc2cc(C)c1CCOC(=O)Nc1cccc(c1)[C@@H](CC(O)=O)NC(=O)[C@@H]2Nc1ccc2cc[nH]c(=O)c2c1 |r| Show InChI InChI=1S/C31H30N4O6/c1-17-12-21-13-18(2)24(17)9-11-41-31(40)34-22-5-3-4-20(14-22)26(16-27(36)37)35-30(39)28(21)33-23-7-6-19-8-10-32-29(38)25(19)15-23/h3-8,10,12-15,26,28,33H,9,11,16H2,1-2H3,(H,32,38)(H,34,40)(H,35,39)(H,36,37)/t26-,28-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of tissue factor activated recombinant human coagulation factor 7a expressed in hamster BHK cells using S2288 as substrate pretreated for ... |
Bioorg Med Chem Lett 27: 2650-2654 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.008
BindingDB Entry DOI: 10.7270/Q29P3420 |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50242361
(CHEMBL4077853)Show SMILES CCS(=O)(=O)c1ccc2NC(=O)OCCc3ccc(cc3)[C@@H](Nc3ccc4cc[nH]c(=O)c4c3)C(=O)N(C)Cc1c2 |r| Show InChI InChI=1S/C30H30N4O6S/c1-3-41(38,39)26-11-10-23-16-22(26)18-34(2)29(36)27(21-6-4-19(5-7-21)13-15-40-30(37)33-23)32-24-9-8-20-12-14-31-28(35)25(20)17-24/h4-12,14,16-17,27,32H,3,13,15,18H2,1-2H3,(H,31,35)(H,33,37)/t27-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 61 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of tissue factor activated recombinant human coagulation factor 7a expressed in hamster BHK cells using S2288 as substrate pretreated for ... |
Bioorg Med Chem Lett 27: 2650-2654 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.008
BindingDB Entry DOI: 10.7270/Q29P3420 |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50242364
(CHEMBL4080298)Show SMILES CCc1cc2ccc1CCOC(=O)Nc1ccc(SC(C)C)c(CN(C)C(=O)[C@@H]2Nc2cccc(c2)C(N)=O)c1 |r| Show InChI InChI=1S/C31H36N4O4S/c1-5-20-15-22-10-9-21(20)13-14-39-31(38)34-26-11-12-27(40-19(2)3)24(17-26)18-35(4)30(37)28(22)33-25-8-6-7-23(16-25)29(32)36/h6-12,15-17,19,28,33H,5,13-14,18H2,1-4H3,(H2,32,36)(H,34,38)/t28-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 91 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of tissue factor activated recombinant human coagulation factor 7a expressed in hamster BHK cells using S2288 as substrate pretreated for ... |
Bioorg Med Chem Lett 27: 2650-2654 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.008
BindingDB Entry DOI: 10.7270/Q29P3420 |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50242362
(CHEMBL4066874)Show SMILES CCOC(=O)C[C@H]1NC(=O)[C@H](Nc2ccc3cc[nH]c(=O)c3c2)c2cc(C)c(CCOC(=O)Nc3cccc1c3)c(C)c2 |r| Show InChI InChI=1S/C33H34N4O6/c1-4-42-29(38)18-28-22-6-5-7-24(16-22)36-33(41)43-13-11-26-19(2)14-23(15-20(26)3)30(32(40)37-28)35-25-9-8-21-10-12-34-31(39)27(21)17-25/h5-10,12,14-17,28,30,35H,4,11,13,18H2,1-3H3,(H,34,39)(H,36,41)(H,37,40)/t28-,30-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 360 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of tissue factor activated recombinant human coagulation factor 7a expressed in hamster BHK cells using S2288 as substrate pretreated for ... |
Bioorg Med Chem Lett 27: 2650-2654 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.008
BindingDB Entry DOI: 10.7270/Q29P3420 |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50242360
(CHEMBL4069575)Show SMILES CCc1cc2ccc1CCOC(=O)Nc1ccc(c(CN(C)C(=O)[C@@H]2Nc2cccc(c2)C(N)=O)c1)S(=O)(=O)C(C)C |r| Show InChI InChI=1S/C31H36N4O6S/c1-5-20-15-22-10-9-21(20)13-14-41-31(38)34-26-11-12-27(42(39,40)19(2)3)24(17-26)18-35(4)30(37)28(22)33-25-8-6-7-23(16-25)29(32)36/h6-12,15-17,19,28,33H,5,13-14,18H2,1-4H3,(H2,32,36)(H,34,38)/t28-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| 610 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of tissue factor activated recombinant human coagulation factor 7a expressed in hamster BHK cells using S2288 as substrate pretreated for ... |
Bioorg Med Chem Lett 27: 2650-2654 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.008
BindingDB Entry DOI: 10.7270/Q29P3420 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50242360
(CHEMBL4069575)Show SMILES CCc1cc2ccc1CCOC(=O)Nc1ccc(c(CN(C)C(=O)[C@@H]2Nc2cccc(c2)C(N)=O)c1)S(=O)(=O)C(C)C |r| Show InChI InChI=1S/C31H36N4O6S/c1-5-20-15-22-10-9-21(20)13-14-41-31(38)34-26-11-12-27(42(39,40)19(2)3)24(17-26)18-35(4)30(37)28(22)33-25-8-6-7-23(16-25)29(32)36/h6-12,15-17,19,28,33H,5,13-14,18H2,1-4H3,(H2,32,36)(H,34,38)/t28-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| 610 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of tissue factor activated recombinant human coagulation factor 7a expressed in hamster BHK cells using S2288 as substrate pretreated for ... |
Bioorg Med Chem Lett 27: 2650-2654 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.008
BindingDB Entry DOI: 10.7270/Q29P3420 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50242368
(CHEMBL4088154)Show SMILES [H][C@]12CCCN1C(=O)[C@H](Nc1ccc3cc[nH]c(=O)c3c1)c1cc(C)c(CCOC(=O)Nc3cccc2c3)c(C)c1 |r| Show InChI InChI=1S/C32H32N4O4/c1-19-15-23-16-20(2)26(19)11-14-40-32(39)35-24-6-3-5-22(17-24)28-7-4-13-36(28)31(38)29(23)34-25-9-8-21-10-12-33-30(37)27(21)18-25/h3,5-6,8-10,12,15-18,28-29,34H,4,7,11,13-14H2,1-2H3,(H,33,37)(H,35,39)/t28-,29-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 840 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of tissue factor activated recombinant human coagulation factor 7a expressed in hamster BHK cells using S2288 as substrate pretreated for ... |
Bioorg Med Chem Lett 27: 2650-2654 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.008
BindingDB Entry DOI: 10.7270/Q29P3420 |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50242366
(CHEMBL4094405)Show SMILES CC(C)S(=O)(=O)c1ccc2NC(=O)OCCc3ccc(cc3)[C@@H](Nc3cccc(c3)C(N)=O)C(=O)N(C)Cc1c2 |r| Show InChI InChI=1S/C29H32N4O6S/c1-18(2)40(37,38)25-12-11-24-16-22(25)17-33(3)28(35)26(31-23-6-4-5-21(15-23)27(30)34)20-9-7-19(8-10-20)13-14-39-29(36)32-24/h4-12,15-16,18,26,31H,13-14,17H2,1-3H3,(H2,30,34)(H,32,36)/t26-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 940 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of tissue factor activated recombinant human coagulation factor 7a expressed in hamster BHK cells using S2288 as substrate pretreated for ... |
Bioorg Med Chem Lett 27: 2650-2654 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.008
BindingDB Entry DOI: 10.7270/Q29P3420 |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50242365
(CHEMBL4104519)Show SMILES CN1Cc2cccc(NC(=O)OCCc3c(C)cc(cc3C)C(Nc3ccc4cc[nH]c(=O)c4c3)C1=O)c2 Show InChI InChI=1S/C30H30N4O4/c1-18-13-22-14-19(2)25(18)10-12-38-30(37)33-23-6-4-5-20(15-23)17-34(3)29(36)27(22)32-24-8-7-21-9-11-31-28(35)26(21)16-24/h4-9,11,13-16,27,32H,10,12,17H2,1-3H3,(H,31,35)(H,33,37) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of tissue factor activated recombinant human coagulation factor 7a expressed in hamster BHK cells using S2288 as substrate pretreated for ... |
Bioorg Med Chem Lett 27: 2650-2654 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.008
BindingDB Entry DOI: 10.7270/Q29P3420 |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50242369
(CHEMBL4073823)Show SMILES CCc1cc2cc(CC)c1CCOC(=O)Nc1cccc(CNC(=O)C2Nc2cccc(c2)C(N)=O)c1 Show InChI InChI=1S/C29H32N4O4/c1-3-19-14-22-15-20(4-2)25(19)11-12-37-29(36)33-23-9-5-7-18(13-23)17-31-28(35)26(22)32-24-10-6-8-21(16-24)27(30)34/h5-10,13-16,26,32H,3-4,11-12,17H2,1-2H3,(H2,30,34)(H,31,35)(H,33,36) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of tissue factor activated recombinant human coagulation factor 7a expressed in hamster BHK cells using S2288 as substrate pretreated for ... |
Bioorg Med Chem Lett 27: 2650-2654 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.008
BindingDB Entry DOI: 10.7270/Q29P3420 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50242359
(CHEMBL4083729)Show SMILES CN1Cc2cc(NC(=O)OCCc3c(C)cc(cc3C)[C@@H](Nc3ccc4cc[nH]c(=O)c4c3)C1=O)ccc2S(=O)(=O)C1CC1 |r| Show InChI InChI=1S/C33H34N4O6S/c1-19-14-22-15-20(2)27(19)11-13-43-33(40)36-24-6-9-29(44(41,42)26-7-8-26)23(16-24)18-37(3)32(39)30(22)35-25-5-4-21-10-12-34-31(38)28(21)17-25/h4-6,9-10,12,14-17,26,30,35H,7-8,11,13,18H2,1-3H3,(H,34,38)(H,36,40)/t30-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of tissue factor/factor 7a activated human coagulation factor-10a using S2765 as substrate pretreated with substrate for 15 mins followed ... |
Bioorg Med Chem Lett 27: 2650-2654 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.008
BindingDB Entry DOI: 10.7270/Q29P3420 |
More data for this
Ligand-Target Pair | |
Kallikrein-1
(Homo sapiens (Human)) | BDBM50242359
(CHEMBL4083729)Show SMILES CN1Cc2cc(NC(=O)OCCc3c(C)cc(cc3C)[C@@H](Nc3ccc4cc[nH]c(=O)c4c3)C1=O)ccc2S(=O)(=O)C1CC1 |r| Show InChI InChI=1S/C33H34N4O6S/c1-19-14-22-15-20(2)27(19)11-13-43-33(40)36-24-6-9-29(44(41,42)26-7-8-26)23(16-24)18-37(3)32(39)30(22)35-25-5-4-21-10-12-34-31(38)28(21)17-25/h4-6,9-10,12,14-17,26,30,35H,7-8,11,13,18H2,1-3H3,(H,34,38)(H,36,40)/t30-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of Tissue Kallikrein (unknown origin) using H-D-Val-Leu-Arg-AFC as substrate |
Bioorg Med Chem Lett 27: 2650-2654 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.008
BindingDB Entry DOI: 10.7270/Q29P3420 |
More data for this
Ligand-Target Pair | |
Kallikrein-1
(Homo sapiens (Human)) | BDBM50242360
(CHEMBL4069575)Show SMILES CCc1cc2ccc1CCOC(=O)Nc1ccc(c(CN(C)C(=O)[C@@H]2Nc2cccc(c2)C(N)=O)c1)S(=O)(=O)C(C)C |r| Show InChI InChI=1S/C31H36N4O6S/c1-5-20-15-22-10-9-21(20)13-14-41-31(38)34-26-11-12-27(42(39,40)19(2)3)24(17-26)18-35(4)30(37)28(22)33-25-8-6-7-23(16-25)29(32)36/h6-12,15-17,19,28,33H,5,13-14,18H2,1-4H3,(H2,32,36)(H,34,38)/t28-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 4.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of Tissue Kallikrein (unknown origin) using H-D-Val-Leu-Arg-AFC as substrate |
Bioorg Med Chem Lett 27: 2650-2654 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.008
BindingDB Entry DOI: 10.7270/Q29P3420 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50242360
(CHEMBL4069575)Show SMILES CCc1cc2ccc1CCOC(=O)Nc1ccc(c(CN(C)C(=O)[C@@H]2Nc2cccc(c2)C(N)=O)c1)S(=O)(=O)C(C)C |r| Show InChI InChI=1S/C31H36N4O6S/c1-5-20-15-22-10-9-21(20)13-14-41-31(38)34-26-11-12-27(42(39,40)19(2)3)24(17-26)18-35(4)30(37)28(22)33-25-8-6-7-23(16-25)29(32)36/h6-12,15-17,19,28,33H,5,13-14,18H2,1-4H3,(H2,32,36)(H,34,38)/t28-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 5.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of tissue factor/factor 7a activated human coagulation factor-10a using S2765 as substrate pretreated with substrate for 15 mins followed ... |
Bioorg Med Chem Lett 27: 2650-2654 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.008
BindingDB Entry DOI: 10.7270/Q29P3420 |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50242367
(CHEMBL4097785)Show SMILES CCc1cc2ccc1CCOC(=O)Nc1cccc(CNC(=O)C2Nc2cccc(c2)C(N)=O)c1 Show InChI InChI=1S/C27H28N4O4/c1-2-18-14-20-10-9-19(18)11-12-35-27(34)31-22-7-3-5-17(13-22)16-29-26(33)24(20)30-23-8-4-6-21(15-23)25(28)32/h3-10,13-15,24,30H,2,11-12,16H2,1H3,(H2,28,32)(H,29,33)(H,31,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of tissue factor activated recombinant human coagulation factor 7a expressed in hamster BHK cells using S2288 as substrate pretreated for ... |
Bioorg Med Chem Lett 27: 2650-2654 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.008
BindingDB Entry DOI: 10.7270/Q29P3420 |
More data for this
Ligand-Target Pair | |
Vitamin K-dependent protein C
(Homo sapiens (Human)) | BDBM50242360
(CHEMBL4069575)Show SMILES CCc1cc2ccc1CCOC(=O)Nc1ccc(c(CN(C)C(=O)[C@@H]2Nc2cccc(c2)C(N)=O)c1)S(=O)(=O)C(C)C |r| Show InChI InChI=1S/C31H36N4O6S/c1-5-20-15-22-10-9-21(20)13-14-41-31(38)34-26-11-12-27(42(39,40)19(2)3)24(17-26)18-35(4)30(37)28(22)33-25-8-6-7-23(16-25)29(32)36/h6-12,15-17,19,28,33H,5,13-14,18H2,1-4H3,(H2,32,36)(H,34,38)/t28-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of activated protein C (unknown origin) |
Bioorg Med Chem Lett 27: 2650-2654 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.008
BindingDB Entry DOI: 10.7270/Q29P3420 |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50242360
(CHEMBL4069575)Show SMILES CCc1cc2ccc1CCOC(=O)Nc1ccc(c(CN(C)C(=O)[C@@H]2Nc2cccc(c2)C(N)=O)c1)S(=O)(=O)C(C)C |r| Show InChI InChI=1S/C31H36N4O6S/c1-5-20-15-22-10-9-21(20)13-14-41-31(38)34-26-11-12-27(42(39,40)19(2)3)24(17-26)18-35(4)30(37)28(22)33-25-8-6-7-23(16-25)29(32)36/h6-12,15-17,19,28,33H,5,13-14,18H2,1-4H3,(H2,32,36)(H,34,38)/t28-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of plasmin (unknown origin) |
Bioorg Med Chem Lett 27: 2650-2654 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.008
BindingDB Entry DOI: 10.7270/Q29P3420 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50242360
(CHEMBL4069575)Show SMILES CCc1cc2ccc1CCOC(=O)Nc1ccc(c(CN(C)C(=O)[C@@H]2Nc2cccc(c2)C(N)=O)c1)S(=O)(=O)C(C)C |r| Show InChI InChI=1S/C31H36N4O6S/c1-5-20-15-22-10-9-21(20)13-14-41-31(38)34-26-11-12-27(42(39,40)19(2)3)24(17-26)18-35(4)30(37)28(22)33-25-8-6-7-23(16-25)29(32)36/h6-12,15-17,19,28,33H,5,13-14,18H2,1-4H3,(H2,32,36)(H,34,38)/t28-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) |
Bioorg Med Chem Lett 27: 2650-2654 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.008
BindingDB Entry DOI: 10.7270/Q29P3420 |
More data for this
Ligand-Target Pair | |
Vitamin K-dependent protein C
(Homo sapiens (Human)) | BDBM50242359
(CHEMBL4083729)Show SMILES CN1Cc2cc(NC(=O)OCCc3c(C)cc(cc3C)[C@@H](Nc3ccc4cc[nH]c(=O)c4c3)C1=O)ccc2S(=O)(=O)C1CC1 |r| Show InChI InChI=1S/C33H34N4O6S/c1-19-14-22-15-20(2)27(19)11-13-43-33(40)36-24-6-9-29(44(41,42)26-7-8-26)23(16-24)18-37(3)32(39)30(22)35-25-5-4-21-10-12-34-31(38)28(21)17-25/h4-6,9-10,12,14-17,26,30,35H,7-8,11,13,18H2,1-3H3,(H,34,38)(H,36,40)/t30-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of activated protein C (unknown origin) |
Bioorg Med Chem Lett 27: 2650-2654 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.008
BindingDB Entry DOI: 10.7270/Q29P3420 |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM50242359
(CHEMBL4083729)Show SMILES CN1Cc2cc(NC(=O)OCCc3c(C)cc(cc3C)[C@@H](Nc3ccc4cc[nH]c(=O)c4c3)C1=O)ccc2S(=O)(=O)C1CC1 |r| Show InChI InChI=1S/C33H34N4O6S/c1-19-14-22-15-20(2)27(19)11-13-43-33(40)36-24-6-9-29(44(41,42)26-7-8-26)23(16-24)18-37(3)32(39)30(22)35-25-5-4-21-10-12-34-31(38)28(21)17-25/h4-6,9-10,12,14-17,26,30,35H,7-8,11,13,18H2,1-3H3,(H,34,38)(H,36,40)/t30-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of plasma kallikrein (unknown origin) |
Bioorg Med Chem Lett 27: 2650-2654 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.008
BindingDB Entry DOI: 10.7270/Q29P3420 |
More data for this
Ligand-Target Pair | |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM50242359
(CHEMBL4083729)Show SMILES CN1Cc2cc(NC(=O)OCCc3c(C)cc(cc3C)[C@@H](Nc3ccc4cc[nH]c(=O)c4c3)C1=O)ccc2S(=O)(=O)C1CC1 |r| Show InChI InChI=1S/C33H34N4O6S/c1-19-14-22-15-20(2)27(19)11-13-43-33(40)36-24-6-9-29(44(41,42)26-7-8-26)23(16-24)18-37(3)32(39)30(22)35-25-5-4-21-10-12-34-31(38)28(21)17-25/h4-6,9-10,12,14-17,26,30,35H,7-8,11,13,18H2,1-3H3,(H,34,38)(H,36,40)/t30-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of urokinase (unknown origin) |
Bioorg Med Chem Lett 27: 2650-2654 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.008
BindingDB Entry DOI: 10.7270/Q29P3420 |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM50242360
(CHEMBL4069575)Show SMILES CCc1cc2ccc1CCOC(=O)Nc1ccc(c(CN(C)C(=O)[C@@H]2Nc2cccc(c2)C(N)=O)c1)S(=O)(=O)C(C)C |r| Show InChI InChI=1S/C31H36N4O6S/c1-5-20-15-22-10-9-21(20)13-14-41-31(38)34-26-11-12-27(42(39,40)19(2)3)24(17-26)18-35(4)30(37)28(22)33-25-8-6-7-23(16-25)29(32)36/h6-12,15-17,19,28,33H,5,13-14,18H2,1-4H3,(H2,32,36)(H,34,38)/t28-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of plasma kallikrein (unknown origin) |
Bioorg Med Chem Lett 27: 2650-2654 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.008
BindingDB Entry DOI: 10.7270/Q29P3420 |
More data for this
Ligand-Target Pair | |
Tissue-type plasminogen activator
(Homo sapiens (Human)) | BDBM50242360
(CHEMBL4069575)Show SMILES CCc1cc2ccc1CCOC(=O)Nc1ccc(c(CN(C)C(=O)[C@@H]2Nc2cccc(c2)C(N)=O)c1)S(=O)(=O)C(C)C |r| Show InChI InChI=1S/C31H36N4O6S/c1-5-20-15-22-10-9-21(20)13-14-41-31(38)34-26-11-12-27(42(39,40)19(2)3)24(17-26)18-35(4)30(37)28(22)33-25-8-6-7-23(16-25)29(32)36/h6-12,15-17,19,28,33H,5,13-14,18H2,1-4H3,(H2,32,36)(H,34,38)/t28-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of TPA (unknown origin) |
Bioorg Med Chem Lett 27: 2650-2654 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.008
BindingDB Entry DOI: 10.7270/Q29P3420 |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50242370
(CHEMBL4079760)Show SMILES NC(=O)c1cccc(NC2c3ccc(CCOC(=O)Nc4cccc(CNC2=O)c4)cc3)c1 Show InChI InChI=1S/C25H24N4O4/c26-23(30)19-4-2-6-21(14-19)28-22-18-9-7-16(8-10-18)11-12-33-25(32)29-20-5-1-3-17(13-20)15-27-24(22)31/h1-10,13-14,22,28H,11-12,15H2,(H2,26,30)(H,27,31)(H,29,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of tissue factor activated recombinant human coagulation factor 7a expressed in hamster BHK cells using S2288 as substrate pretreated for ... |
Bioorg Med Chem Lett 27: 2650-2654 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.008
BindingDB Entry DOI: 10.7270/Q29P3420 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50242359
(CHEMBL4083729)Show SMILES CN1Cc2cc(NC(=O)OCCc3c(C)cc(cc3C)[C@@H](Nc3ccc4cc[nH]c(=O)c4c3)C1=O)ccc2S(=O)(=O)C1CC1 |r| Show InChI InChI=1S/C33H34N4O6S/c1-19-14-22-15-20(2)27(19)11-13-43-33(40)36-24-6-9-29(44(41,42)26-7-8-26)23(16-24)18-37(3)32(39)30(22)35-25-5-4-21-10-12-34-31(38)28(21)17-25/h4-6,9-10,12,14-17,26,30,35H,7-8,11,13,18H2,1-3H3,(H,34,38)(H,36,40)/t30-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) |
Bioorg Med Chem Lett 27: 2650-2654 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.008
BindingDB Entry DOI: 10.7270/Q29P3420 |
More data for this
Ligand-Target Pair | |
Tissue-type plasminogen activator
(Homo sapiens (Human)) | BDBM50242359
(CHEMBL4083729)Show SMILES CN1Cc2cc(NC(=O)OCCc3c(C)cc(cc3C)[C@@H](Nc3ccc4cc[nH]c(=O)c4c3)C1=O)ccc2S(=O)(=O)C1CC1 |r| Show InChI InChI=1S/C33H34N4O6S/c1-19-14-22-15-20(2)27(19)11-13-43-33(40)36-24-6-9-29(44(41,42)26-7-8-26)23(16-24)18-37(3)32(39)30(22)35-25-5-4-21-10-12-34-31(38)28(21)17-25/h4-6,9-10,12,14-17,26,30,35H,7-8,11,13,18H2,1-3H3,(H,34,38)(H,36,40)/t30-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of TPA (unknown origin) |
Bioorg Med Chem Lett 27: 2650-2654 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.008
BindingDB Entry DOI: 10.7270/Q29P3420 |
More data for this
Ligand-Target Pair | |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM50242360
(CHEMBL4069575)Show SMILES CCc1cc2ccc1CCOC(=O)Nc1ccc(c(CN(C)C(=O)[C@@H]2Nc2cccc(c2)C(N)=O)c1)S(=O)(=O)C(C)C |r| Show InChI InChI=1S/C31H36N4O6S/c1-5-20-15-22-10-9-21(20)13-14-41-31(38)34-26-11-12-27(42(39,40)19(2)3)24(17-26)18-35(4)30(37)28(22)33-25-8-6-7-23(16-25)29(32)36/h6-12,15-17,19,28,33H,5,13-14,18H2,1-4H3,(H2,32,36)(H,34,38)/t28-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of urokinase (unknown origin) |
Bioorg Med Chem Lett 27: 2650-2654 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.008
BindingDB Entry DOI: 10.7270/Q29P3420 |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50242359
(CHEMBL4083729)Show SMILES CN1Cc2cc(NC(=O)OCCc3c(C)cc(cc3C)[C@@H](Nc3ccc4cc[nH]c(=O)c4c3)C1=O)ccc2S(=O)(=O)C1CC1 |r| Show InChI InChI=1S/C33H34N4O6S/c1-19-14-22-15-20(2)27(19)11-13-43-33(40)36-24-6-9-29(44(41,42)26-7-8-26)23(16-24)18-37(3)32(39)30(22)35-25-5-4-21-10-12-34-31(38)28(21)17-25/h4-6,9-10,12,14-17,26,30,35H,7-8,11,13,18H2,1-3H3,(H,34,38)(H,36,40)/t30-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of plasmin (unknown origin) |
Bioorg Med Chem Lett 27: 2650-2654 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.008
BindingDB Entry DOI: 10.7270/Q29P3420 |
More data for this
Ligand-Target Pair | |
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