Found 32 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 |
|---|
Prothrombin
(Homo sapiens (Human)) | BDBM50532742
(CHEMBL4455063)Show SMILES CC1=C(CC(=O)NCc2cc(Cl)ccc2CN)C(=O)N(CC1)NCc1ccccc1 |c:1| Show InChI InChI=1S/C23H27ClN4O2/c1-16-9-10-28(27-14-17-5-3-2-4-6-17)23(30)21(16)12-22(29)26-15-19-11-20(24)8-7-18(19)13-25/h2-8,11,27H,9-10,12-15,25H2,1H3,(H,26,29) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human alpha-thrombin using S-2366 as substrate after 40 mins |
J Med Chem 59: 6658-70 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01871
BindingDB Entry DOI: 10.7270/Q2183B1D |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50532742
(CHEMBL4455063)Show SMILES CC1=C(CC(=O)NCc2cc(Cl)ccc2CN)C(=O)N(CC1)NCc1ccccc1 |c:1| Show InChI InChI=1S/C23H27ClN4O2/c1-16-9-10-28(27-14-17-5-3-2-4-6-17)23(30)21(16)12-22(29)26-15-19-11-20(24)8-7-18(19)13-25/h2-8,11,27H,9-10,12-15,25H2,1H3,(H,26,29) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human alpha-thrombin using S-2366 as substrate after 40 mins |
J Med Chem 59: 6658-70 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01871
BindingDB Entry DOI: 10.7270/Q2183B1D |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50532741
(CHEMBL4443619)Show SMILES CC1=C(CC(=O)NCc2cc(Cl)ccc2CN)C(=O)N(CC1)NCc1cccc(c1)C(O)=O |c:1| Show InChI InChI=1S/C24H27ClN4O4/c1-15-7-8-29(28-13-16-3-2-4-17(9-16)24(32)33)23(31)21(15)11-22(30)27-14-19-10-20(25)6-5-18(19)12-26/h2-6,9-10,28H,7-8,11-14,26H2,1H3,(H,27,30)(H,32,33) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human alpha-thrombin using S-2366 as substrate after 40 mins |
J Med Chem 59: 6658-70 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01871
BindingDB Entry DOI: 10.7270/Q2183B1D |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50532741
(CHEMBL4443619)Show SMILES CC1=C(CC(=O)NCc2cc(Cl)ccc2CN)C(=O)N(CC1)NCc1cccc(c1)C(O)=O |c:1| Show InChI InChI=1S/C24H27ClN4O4/c1-15-7-8-29(28-13-16-3-2-4-17(9-16)24(32)33)23(31)21(15)11-22(30)27-14-19-10-20(25)6-5-18(19)12-26/h2-6,9-10,28H,7-8,11-14,26H2,1H3,(H,27,30)(H,32,33) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human alpha-thrombin using S-2366 as substrate after 40 mins |
J Med Chem 59: 6658-70 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01871
BindingDB Entry DOI: 10.7270/Q2183B1D |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50532740
(CHEMBL4518749)Show SMILES CC1=C2CC(=O)NCc3cc(Cl)ccc3CNC(=O)OCOC(=O)c3cccc(CNN(CC1)C2=O)c3 |c:1| Show InChI InChI=1S/C26H27ClN4O6/c1-16-7-8-31-24(33)22(16)11-23(32)28-14-20-10-21(27)6-5-19(20)13-29-26(35)37-15-36-25(34)18-4-2-3-17(9-18)12-30-31/h2-6,9-10,30H,7-8,11-15H2,1H3,(H,28,32)(H,29,35) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human alpha-thrombin using S-2366 as substrate after 40 mins |
J Med Chem 59: 6658-70 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01871
BindingDB Entry DOI: 10.7270/Q2183B1D |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50532740
(CHEMBL4518749)Show SMILES CC1=C2CC(=O)NCc3cc(Cl)ccc3CNC(=O)OCOC(=O)c3cccc(CNN(CC1)C2=O)c3 |c:1| Show InChI InChI=1S/C26H27ClN4O6/c1-16-7-8-31-24(33)22(16)11-23(32)28-14-20-10-21(27)6-5-19(20)13-29-26(35)37-15-36-25(34)18-4-2-3-17(9-18)12-30-31/h2-6,9-10,30H,7-8,11-15H2,1H3,(H,28,32)(H,29,35) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human alpha-thrombin using S-2366 as substrate after 40 mins |
J Med Chem 59: 6658-70 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01871
BindingDB Entry DOI: 10.7270/Q2183B1D |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50532742
(CHEMBL4455063)Show SMILES CC1=C(CC(=O)NCc2cc(Cl)ccc2CN)C(=O)N(CC1)NCc1ccccc1 |c:1| Show InChI InChI=1S/C23H27ClN4O2/c1-16-9-10-28(27-14-17-5-3-2-4-6-17)23(30)21(16)12-22(29)26-15-19-11-20(24)8-7-18(19)13-25/h2-8,11,27H,9-10,12-15,25H2,1H3,(H,26,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >5.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human trypsin 1 using S-2222 as substrate preincubated for 300 secs followed by substrate addition measured after 40 mins |
J Med Chem 59: 6658-70 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01871
BindingDB Entry DOI: 10.7270/Q2183B1D |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50532740
(CHEMBL4518749)Show SMILES CC1=C2CC(=O)NCc3cc(Cl)ccc3CNC(=O)OCOC(=O)c3cccc(CNN(CC1)C2=O)c3 |c:1| Show InChI InChI=1S/C26H27ClN4O6/c1-16-7-8-31-24(33)22(16)11-23(32)28-14-20-10-21(27)6-5-19(20)13-29-26(35)37-15-36-25(34)18-4-2-3-17(9-18)12-30-31/h2-6,9-10,30H,7-8,11-15H2,1H3,(H,28,32)(H,29,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >5.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human trypsin 1 using S-2222 as substrate preincubated for 300 secs followed by substrate addition measured after 40 mins |
J Med Chem 59: 6658-70 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01871
BindingDB Entry DOI: 10.7270/Q2183B1D |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50532740
(CHEMBL4518749)Show SMILES CC1=C2CC(=O)NCc3cc(Cl)ccc3CNC(=O)OCOC(=O)c3cccc(CNN(CC1)C2=O)c3 |c:1| Show InChI InChI=1S/C26H27ClN4O6/c1-16-7-8-31-24(33)22(16)11-23(32)28-14-20-10-21(27)6-5-19(20)13-29-26(35)37-15-36-25(34)18-4-2-3-17(9-18)12-30-31/h2-6,9-10,30H,7-8,11-15H2,1H3,(H,28,32)(H,29,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >5.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human trypsin 1 using S-2222 as substrate preincubated for 300 secs followed by substrate addition measured after 40 mins |
J Med Chem 59: 6658-70 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01871
BindingDB Entry DOI: 10.7270/Q2183B1D |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50532741
(CHEMBL4443619)Show SMILES CC1=C(CC(=O)NCc2cc(Cl)ccc2CN)C(=O)N(CC1)NCc1cccc(c1)C(O)=O |c:1| Show InChI InChI=1S/C24H27ClN4O4/c1-15-7-8-29(28-13-16-3-2-4-17(9-16)24(32)33)23(31)21(15)11-22(30)27-14-19-10-20(25)6-5-18(19)12-26/h2-6,9-10,28H,7-8,11-14,26H2,1H3,(H,27,30)(H,32,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >5.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human trypsin 1 using S-2222 as substrate preincubated for 300 secs followed by substrate addition measured after 40 mins |
J Med Chem 59: 6658-70 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01871
BindingDB Entry DOI: 10.7270/Q2183B1D |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50532741
(CHEMBL4443619)Show SMILES CC1=C(CC(=O)NCc2cc(Cl)ccc2CN)C(=O)N(CC1)NCc1cccc(c1)C(O)=O |c:1| Show InChI InChI=1S/C24H27ClN4O4/c1-15-7-8-29(28-13-16-3-2-4-17(9-16)24(32)33)23(31)21(15)11-22(30)27-14-19-10-20(25)6-5-18(19)12-26/h2-6,9-10,28H,7-8,11-14,26H2,1H3,(H,27,30)(H,32,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >5.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human trypsin 1 using S-2222 as substrate preincubated for 300 secs followed by substrate addition measured after 40 mins |
J Med Chem 59: 6658-70 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01871
BindingDB Entry DOI: 10.7270/Q2183B1D |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50532742
(CHEMBL4455063)Show SMILES CC1=C(CC(=O)NCc2cc(Cl)ccc2CN)C(=O)N(CC1)NCc1ccccc1 |c:1| Show InChI InChI=1S/C23H27ClN4O2/c1-16-9-10-28(27-14-17-5-3-2-4-6-17)23(30)21(16)12-22(29)26-15-19-11-20(24)8-7-18(19)13-25/h2-8,11,27H,9-10,12-15,25H2,1H3,(H,26,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >5.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human trypsin 1 using S-2222 as substrate preincubated for 300 secs followed by substrate addition measured after 40 mins |
J Med Chem 59: 6658-70 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01871
BindingDB Entry DOI: 10.7270/Q2183B1D |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50532742
(CHEMBL4455063)Show SMILES CC1=C(CC(=O)NCc2cc(Cl)ccc2CN)C(=O)N(CC1)NCc1ccccc1 |c:1| Show InChI InChI=1S/C23H27ClN4O2/c1-16-9-10-28(27-14-17-5-3-2-4-6-17)23(30)21(16)12-22(29)26-15-19-11-20(24)8-7-18(19)13-25/h2-8,11,27H,9-10,12-15,25H2,1H3,(H,26,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human F10a using S-2765 as substrate preincubated for 300 secs followed by substrate addition measured after 40 mins |
J Med Chem 59: 6658-70 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01871
BindingDB Entry DOI: 10.7270/Q2183B1D |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50532741
(CHEMBL4443619)Show SMILES CC1=C(CC(=O)NCc2cc(Cl)ccc2CN)C(=O)N(CC1)NCc1cccc(c1)C(O)=O |c:1| Show InChI InChI=1S/C24H27ClN4O4/c1-15-7-8-29(28-13-16-3-2-4-17(9-16)24(32)33)23(31)21(15)11-22(30)27-14-19-10-20(25)6-5-18(19)12-26/h2-6,9-10,28H,7-8,11-14,26H2,1H3,(H,27,30)(H,32,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human F10a using S-2765 as substrate preincubated for 300 secs followed by substrate addition measured after 40 mins |
J Med Chem 59: 6658-70 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01871
BindingDB Entry DOI: 10.7270/Q2183B1D |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50532741
(CHEMBL4443619)Show SMILES CC1=C(CC(=O)NCc2cc(Cl)ccc2CN)C(=O)N(CC1)NCc1cccc(c1)C(O)=O |c:1| Show InChI InChI=1S/C24H27ClN4O4/c1-15-7-8-29(28-13-16-3-2-4-17(9-16)24(32)33)23(31)21(15)11-22(30)27-14-19-10-20(25)6-5-18(19)12-26/h2-6,9-10,28H,7-8,11-14,26H2,1H3,(H,27,30)(H,32,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human F10a using S-2765 as substrate preincubated for 300 secs followed by substrate addition measured after 40 mins |
J Med Chem 59: 6658-70 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01871
BindingDB Entry DOI: 10.7270/Q2183B1D |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50532742
(CHEMBL4455063)Show SMILES CC1=C(CC(=O)NCc2cc(Cl)ccc2CN)C(=O)N(CC1)NCc1ccccc1 |c:1| Show InChI InChI=1S/C23H27ClN4O2/c1-16-9-10-28(27-14-17-5-3-2-4-6-17)23(30)21(16)12-22(29)26-15-19-11-20(24)8-7-18(19)13-25/h2-8,11,27H,9-10,12-15,25H2,1H3,(H,26,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human F10a using S-2765 as substrate preincubated for 300 secs followed by substrate addition measured after 40 mins |
J Med Chem 59: 6658-70 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01871
BindingDB Entry DOI: 10.7270/Q2183B1D |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50532741
(CHEMBL4443619)Show SMILES CC1=C(CC(=O)NCc2cc(Cl)ccc2CN)C(=O)N(CC1)NCc1cccc(c1)C(O)=O |c:1| Show InChI InChI=1S/C24H27ClN4O4/c1-15-7-8-29(28-13-16-3-2-4-17(9-16)24(32)33)23(31)21(15)11-22(30)27-14-19-10-20(25)6-5-18(19)12-26/h2-6,9-10,28H,7-8,11-14,26H2,1H3,(H,27,30)(H,32,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human F11a using S-2366 as substrate preincubated for 300 secs followed by substrate addition measured after 40 mins |
J Med Chem 59: 6658-70 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01871
BindingDB Entry DOI: 10.7270/Q2183B1D |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50532742
(CHEMBL4455063)Show SMILES CC1=C(CC(=O)NCc2cc(Cl)ccc2CN)C(=O)N(CC1)NCc1ccccc1 |c:1| Show InChI InChI=1S/C23H27ClN4O2/c1-16-9-10-28(27-14-17-5-3-2-4-6-17)23(30)21(16)12-22(29)26-15-19-11-20(24)8-7-18(19)13-25/h2-8,11,27H,9-10,12-15,25H2,1H3,(H,26,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human plasmin using S-2366 as substrate preincubated for 300 secs followed by substrate addition measured after 40 mins |
J Med Chem 59: 6658-70 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01871
BindingDB Entry DOI: 10.7270/Q2183B1D |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50532741
(CHEMBL4443619)Show SMILES CC1=C(CC(=O)NCc2cc(Cl)ccc2CN)C(=O)N(CC1)NCc1cccc(c1)C(O)=O |c:1| Show InChI InChI=1S/C24H27ClN4O4/c1-15-7-8-29(28-13-16-3-2-4-17(9-16)24(32)33)23(31)21(15)11-22(30)27-14-19-10-20(25)6-5-18(19)12-26/h2-6,9-10,28H,7-8,11-14,26H2,1H3,(H,27,30)(H,32,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human plasmin using S-2366 as substrate preincubated for 300 secs followed by substrate addition measured after 40 mins |
J Med Chem 59: 6658-70 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01871
BindingDB Entry DOI: 10.7270/Q2183B1D |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50532741
(CHEMBL4443619)Show SMILES CC1=C(CC(=O)NCc2cc(Cl)ccc2CN)C(=O)N(CC1)NCc1cccc(c1)C(O)=O |c:1| Show InChI InChI=1S/C24H27ClN4O4/c1-15-7-8-29(28-13-16-3-2-4-17(9-16)24(32)33)23(31)21(15)11-22(30)27-14-19-10-20(25)6-5-18(19)12-26/h2-6,9-10,28H,7-8,11-14,26H2,1H3,(H,27,30)(H,32,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human F11a using S-2366 as substrate preincubated for 300 secs followed by substrate addition measured after 40 mins |
J Med Chem 59: 6658-70 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01871
BindingDB Entry DOI: 10.7270/Q2183B1D |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50532742
(CHEMBL4455063)Show SMILES CC1=C(CC(=O)NCc2cc(Cl)ccc2CN)C(=O)N(CC1)NCc1ccccc1 |c:1| Show InChI InChI=1S/C23H27ClN4O2/c1-16-9-10-28(27-14-17-5-3-2-4-6-17)23(30)21(16)12-22(29)26-15-19-11-20(24)8-7-18(19)13-25/h2-8,11,27H,9-10,12-15,25H2,1H3,(H,26,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human F11a using S-2366 as substrate preincubated for 300 secs followed by substrate addition measured after 40 mins |
J Med Chem 59: 6658-70 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01871
BindingDB Entry DOI: 10.7270/Q2183B1D |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50532742
(CHEMBL4455063)Show SMILES CC1=C(CC(=O)NCc2cc(Cl)ccc2CN)C(=O)N(CC1)NCc1ccccc1 |c:1| Show InChI InChI=1S/C23H27ClN4O2/c1-16-9-10-28(27-14-17-5-3-2-4-6-17)23(30)21(16)12-22(29)26-15-19-11-20(24)8-7-18(19)13-25/h2-8,11,27H,9-10,12-15,25H2,1H3,(H,26,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human plasmin using S-2366 as substrate preincubated for 300 secs followed by substrate addition measured after 40 mins |
J Med Chem 59: 6658-70 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01871
BindingDB Entry DOI: 10.7270/Q2183B1D |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50532741
(CHEMBL4443619)Show SMILES CC1=C(CC(=O)NCc2cc(Cl)ccc2CN)C(=O)N(CC1)NCc1cccc(c1)C(O)=O |c:1| Show InChI InChI=1S/C24H27ClN4O4/c1-15-7-8-29(28-13-16-3-2-4-17(9-16)24(32)33)23(31)21(15)11-22(30)27-14-19-10-20(25)6-5-18(19)12-26/h2-6,9-10,28H,7-8,11-14,26H2,1H3,(H,27,30)(H,32,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human plasmin using S-2366 as substrate preincubated for 300 secs followed by substrate addition measured after 40 mins |
J Med Chem 59: 6658-70 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01871
BindingDB Entry DOI: 10.7270/Q2183B1D |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50532742
(CHEMBL4455063)Show SMILES CC1=C(CC(=O)NCc2cc(Cl)ccc2CN)C(=O)N(CC1)NCc1ccccc1 |c:1| Show InChI InChI=1S/C23H27ClN4O2/c1-16-9-10-28(27-14-17-5-3-2-4-6-17)23(30)21(16)12-22(29)26-15-19-11-20(24)8-7-18(19)13-25/h2-8,11,27H,9-10,12-15,25H2,1H3,(H,26,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human F11a using S-2366 as substrate preincubated for 300 secs followed by substrate addition measured after 40 mins |
J Med Chem 59: 6658-70 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01871
BindingDB Entry DOI: 10.7270/Q2183B1D |
More data for this
Ligand-Target Pair | |
Coagulation factor IX
(Homo sapiens (Human)) | BDBM50532742
(CHEMBL4455063)Show SMILES CC1=C(CC(=O)NCc2cc(Cl)ccc2CN)C(=O)N(CC1)NCc1ccccc1 |c:1| Show InChI InChI=1S/C23H27ClN4O2/c1-16-9-10-28(27-14-17-5-3-2-4-6-17)23(30)21(16)12-22(29)26-15-19-11-20(24)8-7-18(19)13-25/h2-8,11,27H,9-10,12-15,25H2,1H3,(H,26,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >2.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human F9a using pefachrome F9a as substrate preincubated for 300 secs followed by substrate addition measured after 40 mins |
J Med Chem 59: 6658-70 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01871
BindingDB Entry DOI: 10.7270/Q2183B1D |
More data for this
Ligand-Target Pair | |
Coagulation factor IX
(Homo sapiens (Human)) | BDBM50532742
(CHEMBL4455063)Show SMILES CC1=C(CC(=O)NCc2cc(Cl)ccc2CN)C(=O)N(CC1)NCc1ccccc1 |c:1| Show InChI InChI=1S/C23H27ClN4O2/c1-16-9-10-28(27-14-17-5-3-2-4-6-17)23(30)21(16)12-22(29)26-15-19-11-20(24)8-7-18(19)13-25/h2-8,11,27H,9-10,12-15,25H2,1H3,(H,26,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >2.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human F9a using pefachrome F9a as substrate preincubated for 300 secs followed by substrate addition measured after 40 mins |
J Med Chem 59: 6658-70 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01871
BindingDB Entry DOI: 10.7270/Q2183B1D |
More data for this
Ligand-Target Pair | |
Coagulation factor IX
(Homo sapiens (Human)) | BDBM50532741
(CHEMBL4443619)Show SMILES CC1=C(CC(=O)NCc2cc(Cl)ccc2CN)C(=O)N(CC1)NCc1cccc(c1)C(O)=O |c:1| Show InChI InChI=1S/C24H27ClN4O4/c1-15-7-8-29(28-13-16-3-2-4-17(9-16)24(32)33)23(31)21(15)11-22(30)27-14-19-10-20(25)6-5-18(19)12-26/h2-6,9-10,28H,7-8,11-14,26H2,1H3,(H,27,30)(H,32,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >2.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human F9a using pefachrome F9a as substrate preincubated for 300 secs followed by substrate addition measured after 40 mins |
J Med Chem 59: 6658-70 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01871
BindingDB Entry DOI: 10.7270/Q2183B1D |
More data for this
Ligand-Target Pair | |
Coagulation factor IX
(Homo sapiens (Human)) | BDBM50532741
(CHEMBL4443619)Show SMILES CC1=C(CC(=O)NCc2cc(Cl)ccc2CN)C(=O)N(CC1)NCc1cccc(c1)C(O)=O |c:1| Show InChI InChI=1S/C24H27ClN4O4/c1-15-7-8-29(28-13-16-3-2-4-17(9-16)24(32)33)23(31)21(15)11-22(30)27-14-19-10-20(25)6-5-18(19)12-26/h2-6,9-10,28H,7-8,11-14,26H2,1H3,(H,27,30)(H,32,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >2.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human F9a using pefachrome F9a as substrate preincubated for 300 secs followed by substrate addition measured after 40 mins |
J Med Chem 59: 6658-70 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01871
BindingDB Entry DOI: 10.7270/Q2183B1D |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50532742
(CHEMBL4455063)Show SMILES CC1=C(CC(=O)NCc2cc(Cl)ccc2CN)C(=O)N(CC1)NCc1ccccc1 |c:1| Show InChI InChI=1S/C23H27ClN4O2/c1-16-9-10-28(27-14-17-5-3-2-4-6-17)23(30)21(16)12-22(29)26-15-19-11-20(24)8-7-18(19)13-25/h2-8,11,27H,9-10,12-15,25H2,1H3,(H,26,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human CYP3A4 |
J Med Chem 59: 6658-70 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01871
BindingDB Entry DOI: 10.7270/Q2183B1D |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50532742
(CHEMBL4455063)Show SMILES CC1=C(CC(=O)NCc2cc(Cl)ccc2CN)C(=O)N(CC1)NCc1ccccc1 |c:1| Show InChI InChI=1S/C23H27ClN4O2/c1-16-9-10-28(27-14-17-5-3-2-4-6-17)23(30)21(16)12-22(29)26-15-19-11-20(24)8-7-18(19)13-25/h2-8,11,27H,9-10,12-15,25H2,1H3,(H,26,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human CYP3A4 |
J Med Chem 59: 6658-70 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01871
BindingDB Entry DOI: 10.7270/Q2183B1D |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50532741
(CHEMBL4443619)Show SMILES CC1=C(CC(=O)NCc2cc(Cl)ccc2CN)C(=O)N(CC1)NCc1cccc(c1)C(O)=O |c:1| Show InChI InChI=1S/C24H27ClN4O4/c1-15-7-8-29(28-13-16-3-2-4-17(9-16)24(32)33)23(31)21(15)11-22(30)27-14-19-10-20(25)6-5-18(19)12-26/h2-6,9-10,28H,7-8,11-14,26H2,1H3,(H,27,30)(H,32,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human CYP3A4 |
J Med Chem 59: 6658-70 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01871
BindingDB Entry DOI: 10.7270/Q2183B1D |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50532741
(CHEMBL4443619)Show SMILES CC1=C(CC(=O)NCc2cc(Cl)ccc2CN)C(=O)N(CC1)NCc1cccc(c1)C(O)=O |c:1| Show InChI InChI=1S/C24H27ClN4O4/c1-15-7-8-29(28-13-16-3-2-4-17(9-16)24(32)33)23(31)21(15)11-22(30)27-14-19-10-20(25)6-5-18(19)12-26/h2-6,9-10,28H,7-8,11-14,26H2,1H3,(H,27,30)(H,32,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human CYP3A4 |
J Med Chem 59: 6658-70 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01871
BindingDB Entry DOI: 10.7270/Q2183B1D |
More data for this
Ligand-Target Pair | |
Search and Browse
