Found 53 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 X
(Homo sapiens (Human)) | BDBM50123781
(4-(4-Amino-quinazolin-7-ylmethyl)-1-(6-chloro-benz...)Show SMILES Nc1ncnc2cc(CN3CCN(C(=O)C3)S(=O)(=O)c3cc4ccc(Cl)cc4s3)ccc12 Show InChI InChI=1S/C21H18ClN5O3S2/c22-15-3-2-14-8-20(31-18(14)9-15)32(29,30)27-6-5-26(11-19(27)28)10-13-1-4-16-17(7-13)24-12-25-21(16)23/h1-4,7-9,12H,5-6,10-11H2,(H2,23,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity (in vitro) of the compound towards human Coagulation factor X was determined at 10 mg/kg peroral dose |
J Med Chem 46: 681-4 (2003)
Article DOI: 10.1021/jm020384z
BindingDB Entry DOI: 10.7270/Q2KW5FDH |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM12596
(4-{[(E)-2-(5-CHLOROTHIEN-2-YL)VINYL]SULFONYL}-1-(1...)Show SMILES Clc1ccc(C=CS(=O)(=O)N2CCN(Cc3cc4cnccc4[nH]3)C(=O)C2)s1 |w:5.4| Show InChI InChI=1S/C18H17ClN4O3S2/c19-17-2-1-15(27-17)4-8-28(25,26)23-7-6-22(18(24)12-23)11-14-9-13-10-20-5-3-16(13)21-14/h1-5,8-10,21H,6-7,11-12H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity (in vitro) of the compound towards human Coagulation factor X was determined at 5 mg/kg peroral dose |
J Med Chem 46: 681-4 (2003)
Article DOI: 10.1021/jm020384z
BindingDB Entry DOI: 10.7270/Q2KW5FDH |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50123788
(4-(6-Bromo-benzo[b]thiophene-2-sulfonyl)-1-(1H-pyr...)Show SMILES Brc1ccc2cc(sc2c1)S(=O)(=O)N1CCN(Cc2cc3cnccc3[nH]2)C(=O)C1 Show InChI InChI=1S/C20H17BrN4O3S2/c21-15-2-1-13-8-20(29-18(13)9-15)30(27,28)25-6-5-24(19(26)12-25)11-16-7-14-10-22-4-3-17(14)23-16/h1-4,7-10,23H,5-6,11-12H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
In vitro binding affinity for human Coagulation factor X |
J Med Chem 46: 681-4 (2003)
Article DOI: 10.1021/jm020384z
BindingDB Entry DOI: 10.7270/Q2KW5FDH |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM12595
(4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-1-{[1-(2-...)Show SMILES OCCn1c(CN2CCN(CC2=O)S(=O)(=O)c2cc3ccc(Cl)cc3s2)cc2cnccc12 Show InChI InChI=1S/C22H21ClN4O4S2/c23-17-2-1-15-10-22(32-20(15)11-17)33(30,31)26-6-5-25(21(29)14-26)13-18-9-16-12-24-4-3-19(16)27(18)7-8-28/h1-4,9-12,28H,5-8,13-14H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity (in vitro) of the compound towards human Coagulation factor X was determined at 10 mg/kg peroral dose |
J Med Chem 46: 681-4 (2003)
Article DOI: 10.1021/jm020384z
BindingDB Entry DOI: 10.7270/Q2KW5FDH |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50123766
(4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-1-(1-met...)Show SMILES Cn1c(CN2CCN(CC2=O)S(=O)(=O)c2cc3ccc(Cl)cc3s2)cc2cnccc12 Show InChI InChI=1S/C21H19ClN4O3S2/c1-24-17(8-15-11-23-5-4-18(15)24)12-25-6-7-26(13-20(25)27)31(28,29)21-9-14-2-3-16(22)10-19(14)30-21/h2-5,8-11H,6-7,12-13H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
In vitro binding affinity for human Coagulation factor X |
J Med Chem 46: 681-4 (2003)
Article DOI: 10.1021/jm020384z
BindingDB Entry DOI: 10.7270/Q2KW5FDH |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50123782
(4-(6-Chloro-thieno[2,3-b]pyridine-2-sulfonyl)-1-(1...)Show SMILES Clc1ccc2cc(sc2n1)S(=O)(=O)N1CCN(Cc2cc3cnccc3[nH]2)C(=O)C1 Show InChI InChI=1S/C19H16ClN5O3S2/c20-16-2-1-12-8-18(29-19(12)23-16)30(27,28)25-6-5-24(17(26)11-25)10-14-7-13-9-21-4-3-15(13)22-14/h1-4,7-9,22H,5-6,10-11H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
In vitro binding affinity for human Coagulation factor X |
J Med Chem 46: 681-4 (2003)
Article DOI: 10.1021/jm020384z
BindingDB Entry DOI: 10.7270/Q2KW5FDH |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50123767
(4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-1-(1H-py...)Show SMILES Clc1ccc2cc(sc2c1)S(=O)(=O)N1CCN(Cc2cc3cnccc3[nH]2)C(=O)C1 Show InChI InChI=1S/C20H17ClN4O3S2/c21-15-2-1-13-8-20(29-18(13)9-15)30(27,28)25-6-5-24(19(26)12-25)11-16-7-14-10-22-4-3-17(14)23-16/h1-4,7-10,23H,5-6,11-12H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
In vitro binding affinity for human Coagulation factor X |
J Med Chem 46: 681-4 (2003)
Article DOI: 10.1021/jm020384z
BindingDB Entry DOI: 10.7270/Q2KW5FDH |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50123778
(2-{2-[4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-2-...)Show SMILES NC(=O)Cn1c(CN2CCN(CC2=O)S(=O)(=O)c2cc3ccc(Cl)cc3s2)cc2cnccc12 Show InChI InChI=1S/C22H20ClN5O4S2/c23-16-2-1-14-8-22(33-19(14)9-16)34(31,32)27-6-5-26(21(30)13-27)11-17-7-15-10-25-4-3-18(15)28(17)12-20(24)29/h1-4,7-10H,5-6,11-13H2,(H2,24,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
In vitro binding affinity for human Coagulation factor X |
J Med Chem 46: 681-4 (2003)
Article DOI: 10.1021/jm020384z
BindingDB Entry DOI: 10.7270/Q2KW5FDH |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50123765
(CHEMBL158689 | {2-[4-(6-Chloro-benzo[b]thiophene-2...)Show SMILES COC(=O)Cn1c(CN2CCN(CC2=O)S(=O)(=O)c2cc3ccc(Cl)cc3s2)cc2cnccc12 Show InChI InChI=1S/C23H21ClN4O5S2/c1-33-22(30)14-28-18(8-16-11-25-5-4-19(16)28)12-26-6-7-27(13-21(26)29)35(31,32)23-9-15-2-3-17(24)10-20(15)34-23/h2-5,8-11H,6-7,12-14H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
In vitro binding affinity for human Coagulation factor X |
J Med Chem 46: 681-4 (2003)
Article DOI: 10.1021/jm020384z
BindingDB Entry DOI: 10.7270/Q2KW5FDH |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50123789
(4-(5'-Chloro-[2,2']bithiophenyl-5-sulfonyl)-1-(1H-...)Show SMILES Clc1ccc(s1)-c1ccc(s1)S(=O)(=O)N1CCN(Cc2cc3cnccc3[nH]2)C(=O)C1 Show InChI InChI=1S/C20H17ClN4O3S3/c21-18-3-1-16(29-18)17-2-4-20(30-17)31(27,28)25-8-7-24(19(26)12-25)11-14-9-13-10-22-6-5-15(13)23-14/h1-6,9-10,23H,7-8,11-12H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
In vitro binding affinity for human Coagulation factor X |
J Med Chem 46: 681-4 (2003)
Article DOI: 10.1021/jm020384z
BindingDB Entry DOI: 10.7270/Q2KW5FDH |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50123785
(4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-1-(5-oxy...)Show SMILES [O-][n+]1ccc2[nH]c(CN3CCN(CC3=O)S(=O)(=O)c3cc4ccc(Cl)cc4s3)cc2c1 Show InChI InChI=1S/C20H17ClN4O4S2/c21-15-2-1-13-8-20(30-18(13)9-15)31(28,29)25-6-5-23(19(26)12-25)11-16-7-14-10-24(27)4-3-17(14)22-16/h1-4,7-10,22H,5-6,11-12H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 38 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
In vitro binding affinity for human Coagulation factor X |
J Med Chem 46: 681-4 (2003)
Article DOI: 10.1021/jm020384z
BindingDB Entry DOI: 10.7270/Q2KW5FDH |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50123770
(4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-1-(1H-py...)Show SMILES Clc1ccc2cc(sc2c1)S(=O)(=O)N1CCN(Cc2cc3cc[nH]cc3n2)C(=O)C1 Show InChI InChI=1S/C20H17ClN4O3S2/c21-15-2-1-14-8-20(29-18(14)9-15)30(27,28)25-6-5-24(19(26)12-25)11-16-7-13-3-4-22-10-17(13)23-16/h1-4,7-10,22H,5-6,11-12H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 45 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
In vitro binding affinity for human Coagulation factor X |
J Med Chem 46: 681-4 (2003)
Article DOI: 10.1021/jm020384z
BindingDB Entry DOI: 10.7270/Q2KW5FDH |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50123775
(4-[2-(4-Chloro-phenyl)-ethenesulfonyl]-1-(1H-pyrro...)Show SMILES Clc1ccc(C=CS(=O)(=O)N2CCN(Cc3cc4cnccc4[nH]3)C(=O)C2)cc1 |w:5.4| Show InChI InChI=1S/C20H19ClN4O3S/c21-17-3-1-15(2-4-17)6-10-29(27,28)25-9-8-24(20(26)14-25)13-18-11-16-12-22-7-5-19(16)23-18/h1-7,10-12,23H,8-9,13-14H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 48 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
In vitro binding affinity for human Coagulation factor X |
J Med Chem 46: 681-4 (2003)
Article DOI: 10.1021/jm020384z
BindingDB Entry DOI: 10.7270/Q2KW5FDH |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50123774
(4-[2-(5-Chloro-thiophen-2-yl)-ethanesulfonyl]-1-(1...)Show SMILES Clc1ccc(CCS(=O)(=O)N2CCN(Cc3cc4cnccc4[nH]3)C(=O)C2)s1 Show InChI InChI=1S/C18H19ClN4O3S2/c19-17-2-1-15(27-17)4-8-28(25,26)23-7-6-22(18(24)12-23)11-14-9-13-10-20-5-3-16(13)21-14/h1-3,5,9-10,21H,4,6-8,11-12H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 128 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
In vitro binding affinity for human Coagulation factor X |
J Med Chem 46: 681-4 (2003)
Article DOI: 10.1021/jm020384z
BindingDB Entry DOI: 10.7270/Q2KW5FDH |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50123776
(CHEMBL161158 | {2-[4-(6-Chloro-benzo[b]thiophene-2...)Show SMILES OC(=O)Cn1c(CN2CCN(CC2=O)S(=O)(=O)c2cc3ccc(Cl)cc3s2)cc2cnccc12 Show InChI InChI=1S/C22H19ClN4O5S2/c23-16-2-1-14-8-22(33-19(14)9-16)34(31,32)26-6-5-25(20(28)12-26)11-17-7-15-10-24-4-3-18(15)27(17)13-21(29)30/h1-4,7-10H,5-6,11-13H2,(H,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 154 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
In vitro binding affinity for human Coagulation factor X |
J Med Chem 46: 681-4 (2003)
Article DOI: 10.1021/jm020384z
BindingDB Entry DOI: 10.7270/Q2KW5FDH |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50123773
(4-(Benzo[b]thiophene-2-sulfonyl)-1-(1H-pyrrolo[3,2...)Show SMILES O=C1CN(CCN1Cc1cc2cnccc2[nH]1)S(=O)(=O)c1cc2ccccc2s1 Show InChI InChI=1S/C20H18N4O3S2/c25-19-13-24(29(26,27)20-10-14-3-1-2-4-18(14)28-20)8-7-23(19)12-16-9-15-11-21-6-5-17(15)22-16/h1-6,9-11,22H,7-8,12-13H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 959 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
In vitro binding affinity for human Coagulation factor X |
J Med Chem 46: 681-4 (2003)
Article DOI: 10.1021/jm020384z
BindingDB Entry DOI: 10.7270/Q2KW5FDH |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50123780
(1-(4-Amino-1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-4-...)Show SMILES Nc1nccc2[nH]c(CN3CCN(CC3=O)S(=O)(=O)c3cc4ccc(Cl)cc4s3)cc12 Show InChI InChI=1S/C20H18ClN5O3S2/c21-13-2-1-12-7-19(30-17(12)8-13)31(28,29)26-6-5-25(18(27)11-26)10-14-9-15-16(24-14)3-4-23-20(15)22/h1-4,7-9,24H,5-6,10-11H2,(H2,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.02E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
In vitro binding affinity for human Coagulation factor X |
J Med Chem 46: 681-4 (2003)
Article DOI: 10.1021/jm020384z
BindingDB Entry DOI: 10.7270/Q2KW5FDH |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50123772
(4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-1-(1H-im...)Show SMILES Clc1ccc2cc(sc2c1)S(=O)(=O)N1CCN(Cc2nc3ccncc3[nH]2)C(=O)C1 Show InChI InChI=1S/C19H16ClN5O3S2/c20-13-2-1-12-7-19(29-16(12)8-13)30(27,28)25-6-5-24(18(26)11-25)10-17-22-14-3-4-21-9-15(14)23-17/h1-4,7-9H,5-6,10-11H2,(H,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
In vitro binding affinity for human Coagulation factor X |
J Med Chem 46: 681-4 (2003)
Article DOI: 10.1021/jm020384z
BindingDB Entry DOI: 10.7270/Q2KW5FDH |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50123784
(4-(3-Chloro-benzo[b]thiophene-2-sulfonyl)-1-(1H-py...)Show SMILES Clc1c(sc2ccccc12)S(=O)(=O)N1CCN(Cc2cc3cnccc3[nH]2)C(=O)C1 Show InChI InChI=1S/C20H17ClN4O3S2/c21-19-15-3-1-2-4-17(15)29-20(19)30(27,28)25-8-7-24(18(26)12-25)11-14-9-13-10-22-6-5-16(13)23-14/h1-6,9-10,23H,7-8,11-12H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| >1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
In vitro binding affinity for human Coagulation factor X |
J Med Chem 46: 681-4 (2003)
Article DOI: 10.1021/jm020384z
BindingDB Entry DOI: 10.7270/Q2KW5FDH |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50123768
(4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-1-(1H-py...)Show SMILES Clc1ccc2cc(sc2c1)S(=O)(=O)N1CCN(Cc2cc3ncccc3[nH]2)C(=O)C1 Show InChI InChI=1S/C20H17ClN4O3S2/c21-14-4-3-13-8-20(29-18(13)9-14)30(27,28)25-7-6-24(19(26)12-25)11-15-10-17-16(23-15)2-1-5-22-17/h1-5,8-10,23H,6-7,11-12H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
In vitro binding affinity for human Coagulation factor X |
J Med Chem 46: 681-4 (2003)
Article DOI: 10.1021/jm020384z
BindingDB Entry DOI: 10.7270/Q2KW5FDH |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50123783
(2-[4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-2-oxo...)Show SMILES Clc1ccc2cc(sc2c1)S(=O)(=O)N1CCN(Cc2cc3c(cc[nH]c3=O)[nH]2)C(=O)C1 Show InChI InChI=1S/C20H17ClN4O4S2/c21-13-2-1-12-7-19(30-17(12)8-13)31(28,29)25-6-5-24(18(26)11-25)10-14-9-15-16(23-14)3-4-22-20(15)27/h1-4,7-9,23H,5-6,10-11H2,(H,22,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
In vitro binding affinity for human Coagulation factor X |
J Med Chem 46: 681-4 (2003)
Article DOI: 10.1021/jm020384z
BindingDB Entry DOI: 10.7270/Q2KW5FDH |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50123779
(4-(6-Chloro-thieno[3,2-b]pyridine-2-sulfonyl)-1-(1...)Show SMILES Clc1cnc2cc(sc2c1)S(=O)(=O)N1CCN(Cc2cc3cnccc3[nH]2)C(=O)C1 Show InChI InChI=1S/C19H16ClN5O3S2/c20-13-6-17-16(22-9-13)7-19(29-17)30(27,28)25-4-3-24(18(26)11-25)10-14-5-12-8-21-2-1-15(12)23-14/h1-2,5-9,23H,3-4,10-11H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
In vitro binding affinity for human Coagulation factor X |
J Med Chem 46: 681-4 (2003)
Article DOI: 10.1021/jm020384z
BindingDB Entry DOI: 10.7270/Q2KW5FDH |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50123764
(4-(4'-Chloro-biphenyl-4-sulfonyl)-1-(1H-pyrrolo[3,...)Show SMILES Clc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2cc3cnccc3[nH]2)C(=O)C1 Show InChI InChI=1S/C24H21ClN4O3S/c25-20-5-1-17(2-6-20)18-3-7-22(8-4-18)33(31,32)29-12-11-28(24(30)16-29)15-21-13-19-14-26-10-9-23(19)27-21/h1-10,13-14,27H,11-12,15-16H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| >1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
In vitro binding affinity for human Coagulation factor X |
J Med Chem 46: 681-4 (2003)
Article DOI: 10.1021/jm020384z
BindingDB Entry DOI: 10.7270/Q2KW5FDH |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50123787
(1-(1H-Pyrrolo[3,2-c]pyridin-2-ylmethyl)-4-(thieno[...)Show SMILES O=C1CN(CCN1Cc1cc2cnccc2[nH]1)S(=O)(=O)c1cc2cccnc2s1 Show InChI InChI=1S/C19H17N5O3S2/c25-17-12-24(29(26,27)18-9-13-2-1-4-21-19(13)28-18)7-6-23(17)11-15-8-14-10-20-5-3-16(14)22-15/h1-5,8-10,22H,6-7,11-12H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
In vitro binding affinity for human Coagulation factor X |
J Med Chem 46: 681-4 (2003)
Article DOI: 10.1021/jm020384z
BindingDB Entry DOI: 10.7270/Q2KW5FDH |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50123769
(1-(1H-Pyrrolo[3,2-c]pyridin-2-ylmethyl)-4-(thieno[...)Show SMILES O=C1CN(CCN1Cc1cc2cnccc2[nH]1)S(=O)(=O)c1cc2ncccc2s1 Show InChI InChI=1S/C19H17N5O3S2/c25-18-12-24(29(26,27)19-9-16-17(28-19)2-1-4-21-16)7-6-23(18)11-14-8-13-10-20-5-3-15(13)22-14/h1-5,8-10,22H,6-7,11-12H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
In vitro binding affinity for human Coagulation factor X |
J Med Chem 46: 681-4 (2003)
Article DOI: 10.1021/jm020384z
BindingDB Entry DOI: 10.7270/Q2KW5FDH |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50123777
(4-[2-(5-Chloro-4-methoxy-thiophen-2-yl)-ethenesulf...)Show SMILES COc1cc(C=CS(=O)(=O)N2CCN(Cc3cc4cnccc4[nH]3)C(=O)C2)sc1Cl |w:5.4| Show InChI InChI=1S/C19H19ClN4O4S2/c1-28-17-9-15(29-19(17)20)3-7-30(26,27)24-6-5-23(18(25)12-24)11-14-8-13-10-21-4-2-16(13)22-14/h2-4,7-10,22H,5-6,11-12H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
In vitro binding affinity for human Coagulation factor X |
J Med Chem 46: 681-4 (2003)
Article DOI: 10.1021/jm020384z
BindingDB Entry DOI: 10.7270/Q2KW5FDH |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50123771
(4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-1-furo[3...)Show SMILES Clc1ccc2cc(sc2c1)S(=O)(=O)N1CCN(Cc2cc3cnccc3o2)C(=O)C1 Show InChI InChI=1S/C20H16ClN3O4S2/c21-15-2-1-13-8-20(29-18(13)9-15)30(26,27)24-6-5-23(19(25)12-24)11-16-7-14-10-22-4-3-17(14)28-16/h1-4,7-10H,5-6,11-12H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 1.22E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
In vitro binding affinity for human Coagulation factor X |
J Med Chem 46: 681-4 (2003)
Article DOI: 10.1021/jm020384z
BindingDB Entry DOI: 10.7270/Q2KW5FDH |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50123767
(4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-1-(1H-py...)Show SMILES Clc1ccc2cc(sc2c1)S(=O)(=O)N1CCN(Cc2cc3cnccc3[nH]2)C(=O)C1 Show InChI InChI=1S/C20H17ClN4O3S2/c21-15-2-1-13-8-20(29-18(13)9-15)30(27,28)25-6-5-24(19(26)12-25)11-16-7-14-10-22-4-3-17(14)23-16/h1-4,7-10,23H,5-6,11-12H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| >2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity towards trypsin |
J Med Chem 46: 681-4 (2003)
Article DOI: 10.1021/jm020384z
BindingDB Entry DOI: 10.7270/Q2KW5FDH |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50123780
(1-(4-Amino-1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-4-...)Show SMILES Nc1nccc2[nH]c(CN3CCN(CC3=O)S(=O)(=O)c3cc4ccc(Cl)cc4s3)cc12 Show InChI InChI=1S/C20H18ClN5O3S2/c21-13-2-1-12-7-19(30-17(12)8-13)31(28,29)26-6-5-25(18(27)11-26)10-14-9-15-16(24-14)3-4-23-20(15)22/h1-4,7-9,24H,5-6,10-11H2,(H2,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| >2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity towards trypsin |
J Med Chem 46: 681-4 (2003)
Article DOI: 10.1021/jm020384z
BindingDB Entry DOI: 10.7270/Q2KW5FDH |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50123772
(4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-1-(1H-im...)Show SMILES Clc1ccc2cc(sc2c1)S(=O)(=O)N1CCN(Cc2nc3ccncc3[nH]2)C(=O)C1 Show InChI InChI=1S/C19H16ClN5O3S2/c20-13-2-1-12-7-19(29-16(12)8-13)30(27,28)25-6-5-24(18(26)11-25)10-17-22-14-3-4-21-9-15(14)23-17/h1-4,7-9H,5-6,10-11H2,(H,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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 |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity towards trypsin |
J Med Chem 46: 681-4 (2003)
Article DOI: 10.1021/jm020384z
BindingDB Entry DOI: 10.7270/Q2KW5FDH |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50123778
(2-{2-[4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-2-...)Show SMILES NC(=O)Cn1c(CN2CCN(CC2=O)S(=O)(=O)c2cc3ccc(Cl)cc3s2)cc2cnccc12 Show InChI InChI=1S/C22H20ClN5O4S2/c23-16-2-1-14-8-22(33-19(14)9-16)34(31,32)27-6-5-26(21(30)13-27)11-17-7-15-10-25-4-3-18(15)28(17)12-20(24)29/h1-4,7-10H,5-6,11-13H2,(H2,24,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| >2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity towards trypsin |
J Med Chem 46: 681-4 (2003)
Article DOI: 10.1021/jm020384z
BindingDB Entry DOI: 10.7270/Q2KW5FDH |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50123771
(4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-1-furo[3...)Show SMILES Clc1ccc2cc(sc2c1)S(=O)(=O)N1CCN(Cc2cc3cnccc3o2)C(=O)C1 Show InChI InChI=1S/C20H16ClN3O4S2/c21-15-2-1-13-8-20(29-18(13)9-15)30(26,27)24-6-5-23(19(25)12-24)11-16-7-14-10-22-4-3-17(14)28-16/h1-4,7-10H,5-6,11-12H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| >2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity towards trypsin |
J Med Chem 46: 681-4 (2003)
Article DOI: 10.1021/jm020384z
BindingDB Entry DOI: 10.7270/Q2KW5FDH |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM12595
(4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-1-{[1-(2-...)Show SMILES OCCn1c(CN2CCN(CC2=O)S(=O)(=O)c2cc3ccc(Cl)cc3s2)cc2cnccc12 Show InChI InChI=1S/C22H21ClN4O4S2/c23-17-2-1-15-10-22(32-20(15)11-17)33(30,31)26-6-5-25(21(29)14-26)13-18-9-16-12-24-4-3-19(16)27(18)7-8-28/h1-4,9-12,28H,5-8,13-14H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| >2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity towards trypsin |
J Med Chem 46: 681-4 (2003)
Article DOI: 10.1021/jm020384z
BindingDB Entry DOI: 10.7270/Q2KW5FDH |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50123767
(4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-1-(1H-py...)Show SMILES Clc1ccc2cc(sc2c1)S(=O)(=O)N1CCN(Cc2cc3cnccc3[nH]2)C(=O)C1 Show InChI InChI=1S/C20H17ClN4O3S2/c21-15-2-1-13-8-20(29-18(13)9-15)30(27,28)25-6-5-24(19(26)12-25)11-16-7-14-10-22-4-3-17(14)23-16/h1-4,7-10,23H,5-6,11-12H2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity towards thrombin |
J Med Chem 46: 681-4 (2003)
Article DOI: 10.1021/jm020384z
BindingDB Entry DOI: 10.7270/Q2KW5FDH |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50123785
(4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-1-(5-oxy...)Show SMILES [O-][n+]1ccc2[nH]c(CN3CCN(CC3=O)S(=O)(=O)c3cc4ccc(Cl)cc4s3)cc2c1 Show InChI InChI=1S/C20H17ClN4O4S2/c21-15-2-1-13-8-20(30-18(13)9-15)31(28,29)25-6-5-23(19(26)12-25)11-16-7-14-10-24(27)4-3-17(14)22-16/h1-4,7-10,22H,5-6,11-12H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| >2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity towards trypsin |
J Med Chem 46: 681-4 (2003)
Article DOI: 10.1021/jm020384z
BindingDB Entry DOI: 10.7270/Q2KW5FDH |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50123770
(4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-1-(1H-py...)Show SMILES Clc1ccc2cc(sc2c1)S(=O)(=O)N1CCN(Cc2cc3cc[nH]cc3n2)C(=O)C1 Show InChI InChI=1S/C20H17ClN4O3S2/c21-15-2-1-14-8-20(29-18(14)9-15)30(27,28)25-6-5-24(19(26)12-25)11-16-7-13-3-4-22-10-17(13)23-16/h1-4,7-10,22H,5-6,11-12H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| >2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity towards trypsin |
J Med Chem 46: 681-4 (2003)
Article DOI: 10.1021/jm020384z
BindingDB Entry DOI: 10.7270/Q2KW5FDH |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50123765
(CHEMBL158689 | {2-[4-(6-Chloro-benzo[b]thiophene-2...)Show SMILES COC(=O)Cn1c(CN2CCN(CC2=O)S(=O)(=O)c2cc3ccc(Cl)cc3s2)cc2cnccc12 Show InChI InChI=1S/C23H21ClN4O5S2/c1-33-22(30)14-28-18(8-16-11-25-5-4-19(16)28)12-26-6-7-27(13-21(26)29)35(31,32)23-9-15-2-3-17(24)10-20(15)34-23/h2-5,8-11H,6-7,12-14H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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 |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity towards trypsin |
J Med Chem 46: 681-4 (2003)
Article DOI: 10.1021/jm020384z
BindingDB Entry DOI: 10.7270/Q2KW5FDH |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50123783
(2-[4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-2-oxo...)Show SMILES Clc1ccc2cc(sc2c1)S(=O)(=O)N1CCN(Cc2cc3c(cc[nH]c3=O)[nH]2)C(=O)C1 Show InChI InChI=1S/C20H17ClN4O4S2/c21-13-2-1-12-7-19(30-17(12)8-13)31(28,29)25-6-5-24(18(26)11-25)10-14-9-15-16(23-14)3-4-22-20(15)27/h1-4,7-9,23H,5-6,10-11H2,(H,22,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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 |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity towards trypsin |
J Med Chem 46: 681-4 (2003)
Article DOI: 10.1021/jm020384z
BindingDB Entry DOI: 10.7270/Q2KW5FDH |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50123768
(4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-1-(1H-py...)Show SMILES Clc1ccc2cc(sc2c1)S(=O)(=O)N1CCN(Cc2cc3ncccc3[nH]2)C(=O)C1 Show InChI InChI=1S/C20H17ClN4O3S2/c21-14-4-3-13-8-20(29-18(13)9-14)30(27,28)25-7-6-24(19(26)12-25)11-15-10-17-16(23-15)2-1-5-22-17/h1-5,8-10,23H,6-7,11-12H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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 |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity towards trypsin |
J Med Chem 46: 681-4 (2003)
Article DOI: 10.1021/jm020384z
BindingDB Entry DOI: 10.7270/Q2KW5FDH |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50123776
(CHEMBL161158 | {2-[4-(6-Chloro-benzo[b]thiophene-2...)Show SMILES OC(=O)Cn1c(CN2CCN(CC2=O)S(=O)(=O)c2cc3ccc(Cl)cc3s2)cc2cnccc12 Show InChI InChI=1S/C22H19ClN4O5S2/c23-16-2-1-14-8-22(33-19(14)9-16)34(31,32)26-6-5-25(20(28)12-26)11-17-7-15-10-24-4-3-18(15)27(17)13-21(29)30/h1-4,7-10H,5-6,11-13H2,(H,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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 |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity towards trypsin |
J Med Chem 46: 681-4 (2003)
Article DOI: 10.1021/jm020384z
BindingDB Entry DOI: 10.7270/Q2KW5FDH |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50123766
(4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-1-(1-met...)Show SMILES Cn1c(CN2CCN(CC2=O)S(=O)(=O)c2cc3ccc(Cl)cc3s2)cc2cnccc12 Show InChI InChI=1S/C21H19ClN4O3S2/c1-24-17(8-15-11-23-5-4-18(15)24)12-25-6-7-26(13-20(25)27)31(28,29)21-9-14-2-3-16(22)10-19(14)30-21/h2-5,8-11H,6-7,12-13H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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 |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity towards trypsin |
J Med Chem 46: 681-4 (2003)
Article DOI: 10.1021/jm020384z
BindingDB Entry DOI: 10.7270/Q2KW5FDH |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50123768
(4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-1-(1H-py...)Show SMILES Clc1ccc2cc(sc2c1)S(=O)(=O)N1CCN(Cc2cc3ncccc3[nH]2)C(=O)C1 Show InChI InChI=1S/C20H17ClN4O3S2/c21-14-4-3-13-8-20(29-18(13)9-14)30(27,28)25-7-6-24(19(26)12-25)11-15-10-17-16(23-15)2-1-5-22-17/h1-5,8-10,23H,6-7,11-12H2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >3.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity towards thrombin |
J Med Chem 46: 681-4 (2003)
Article DOI: 10.1021/jm020384z
BindingDB Entry DOI: 10.7270/Q2KW5FDH |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50123783
(2-[4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-2-oxo...)Show SMILES Clc1ccc2cc(sc2c1)S(=O)(=O)N1CCN(Cc2cc3c(cc[nH]c3=O)[nH]2)C(=O)C1 Show InChI InChI=1S/C20H17ClN4O4S2/c21-13-2-1-12-7-19(30-17(12)8-13)31(28,29)25-6-5-24(18(26)11-25)10-14-9-15-16(23-14)3-4-22-20(15)27/h1-4,7-9,23H,5-6,10-11H2,(H,22,27) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >3.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity towards thrombin |
J Med Chem 46: 681-4 (2003)
Article DOI: 10.1021/jm020384z
BindingDB Entry DOI: 10.7270/Q2KW5FDH |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50123778
(2-{2-[4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-2-...)Show SMILES NC(=O)Cn1c(CN2CCN(CC2=O)S(=O)(=O)c2cc3ccc(Cl)cc3s2)cc2cnccc12 Show InChI InChI=1S/C22H20ClN5O4S2/c23-16-2-1-14-8-22(33-19(14)9-16)34(31,32)27-6-5-26(21(30)13-27)11-17-7-15-10-25-4-3-18(15)28(17)12-20(24)29/h1-4,7-10H,5-6,11-13H2,(H2,24,29) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| >3.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity towards thrombin |
J Med Chem 46: 681-4 (2003)
Article DOI: 10.1021/jm020384z
BindingDB Entry DOI: 10.7270/Q2KW5FDH |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50123780
(1-(4-Amino-1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-4-...)Show SMILES Nc1nccc2[nH]c(CN3CCN(CC3=O)S(=O)(=O)c3cc4ccc(Cl)cc4s3)cc12 Show InChI InChI=1S/C20H18ClN5O3S2/c21-13-2-1-12-7-19(30-17(12)8-13)31(28,29)26-6-5-25(18(27)11-26)10-14-9-15-16(24-14)3-4-23-20(15)22/h1-4,7-9,24H,5-6,10-11H2,(H2,22,23) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| >3.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity towards thrombin |
J Med Chem 46: 681-4 (2003)
Article DOI: 10.1021/jm020384z
BindingDB Entry DOI: 10.7270/Q2KW5FDH |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50123765
(CHEMBL158689 | {2-[4-(6-Chloro-benzo[b]thiophene-2...)Show SMILES COC(=O)Cn1c(CN2CCN(CC2=O)S(=O)(=O)c2cc3ccc(Cl)cc3s2)cc2cnccc12 Show InChI InChI=1S/C23H21ClN4O5S2/c1-33-22(30)14-28-18(8-16-11-25-5-4-19(16)28)12-26-6-7-27(13-21(26)29)35(31,32)23-9-15-2-3-17(24)10-20(15)34-23/h2-5,8-11H,6-7,12-14H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >3.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity towards thrombin |
J Med Chem 46: 681-4 (2003)
Article DOI: 10.1021/jm020384z
BindingDB Entry DOI: 10.7270/Q2KW5FDH |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50123766
(4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-1-(1-met...)Show SMILES Cn1c(CN2CCN(CC2=O)S(=O)(=O)c2cc3ccc(Cl)cc3s2)cc2cnccc12 Show InChI InChI=1S/C21H19ClN4O3S2/c1-24-17(8-15-11-23-5-4-18(15)24)12-25-6-7-26(13-20(25)27)31(28,29)21-9-14-2-3-16(22)10-19(14)30-21/h2-5,8-11H,6-7,12-13H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >3.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity towards thrombin |
J Med Chem 46: 681-4 (2003)
Article DOI: 10.1021/jm020384z
BindingDB Entry DOI: 10.7270/Q2KW5FDH |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50123772
(4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-1-(1H-im...)Show SMILES Clc1ccc2cc(sc2c1)S(=O)(=O)N1CCN(Cc2nc3ccncc3[nH]2)C(=O)C1 Show InChI InChI=1S/C19H16ClN5O3S2/c20-13-2-1-12-7-19(29-16(12)8-13)30(27,28)25-6-5-24(18(26)11-25)10-17-22-14-3-4-21-9-15(14)23-17/h1-4,7-9H,5-6,10-11H2,(H,22,23) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >3.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity towards thrombin |
J Med Chem 46: 681-4 (2003)
Article DOI: 10.1021/jm020384z
BindingDB Entry DOI: 10.7270/Q2KW5FDH |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50123770
(4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-1-(1H-py...)Show SMILES Clc1ccc2cc(sc2c1)S(=O)(=O)N1CCN(Cc2cc3cc[nH]cc3n2)C(=O)C1 Show InChI InChI=1S/C20H17ClN4O3S2/c21-15-2-1-14-8-20(29-18(14)9-15)30(27,28)25-6-5-24(19(26)12-25)11-16-7-13-3-4-22-10-17(13)23-16/h1-4,7-10,22H,5-6,11-12H2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 3.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity towards thrombin |
J Med Chem 46: 681-4 (2003)
Article DOI: 10.1021/jm020384z
BindingDB Entry DOI: 10.7270/Q2KW5FDH |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50123785
(4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-1-(5-oxy...)Show SMILES [O-][n+]1ccc2[nH]c(CN3CCN(CC3=O)S(=O)(=O)c3cc4ccc(Cl)cc4s3)cc2c1 Show InChI InChI=1S/C20H17ClN4O4S2/c21-15-2-1-13-8-20(30-18(13)9-15)31(28,29)25-6-5-23(19(26)12-25)11-16-7-14-10-24(27)4-3-17(14)22-16/h1-4,7-10,22H,5-6,11-12H2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| >3.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity towards thrombin |
J Med Chem 46: 681-4 (2003)
Article DOI: 10.1021/jm020384z
BindingDB Entry DOI: 10.7270/Q2KW5FDH |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50123776
(CHEMBL161158 | {2-[4-(6-Chloro-benzo[b]thiophene-2...)Show SMILES OC(=O)Cn1c(CN2CCN(CC2=O)S(=O)(=O)c2cc3ccc(Cl)cc3s2)cc2cnccc12 Show InChI InChI=1S/C22H19ClN4O5S2/c23-16-2-1-14-8-22(33-19(14)9-16)34(31,32)26-6-5-25(20(28)12-26)11-17-7-15-10-24-4-3-18(15)27(17)13-21(29)30/h1-4,7-10H,5-6,11-13H2,(H,29,30) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >3.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity towards thrombin |
J Med Chem 46: 681-4 (2003)
Article DOI: 10.1021/jm020384z
BindingDB Entry DOI: 10.7270/Q2KW5FDH |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50123771
(4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-1-furo[3...)Show SMILES Clc1ccc2cc(sc2c1)S(=O)(=O)N1CCN(Cc2cc3cnccc3o2)C(=O)C1 Show InChI InChI=1S/C20H16ClN3O4S2/c21-15-2-1-13-8-20(29-18(13)9-15)30(26,27)24-6-5-23(19(25)12-24)11-16-7-14-10-22-4-3-17(14)28-16/h1-4,7-10H,5-6,11-12H2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| >3.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity towards thrombin |
J Med Chem 46: 681-4 (2003)
Article DOI: 10.1021/jm020384z
BindingDB Entry DOI: 10.7270/Q2KW5FDH |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM12595
(4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-1-{[1-(2-...)Show SMILES OCCn1c(CN2CCN(CC2=O)S(=O)(=O)c2cc3ccc(Cl)cc3s2)cc2cnccc12 Show InChI InChI=1S/C22H21ClN4O4S2/c23-17-2-1-15-10-22(32-20(15)11-17)33(30,31)26-6-5-25(21(29)14-26)13-18-9-16-12-24-4-3-19(16)27(18)7-8-28/h1-4,9-12,28H,5-8,13-14H2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| >3.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity towards thrombin |
J Med Chem 46: 681-4 (2003)
Article DOI: 10.1021/jm020384z
BindingDB Entry DOI: 10.7270/Q2KW5FDH |
More data for this
Ligand-Target Pair | |
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