Found 15 hits Enz. Inhib. hit(s) with all data for entry = 50007246 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 |
|---|
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50060308
(CHEMBL115191 | {4-[4-(4-Carbamimidoyl-phenyl)-thia...)Show SMILES NC(=N)c1ccc(cc1)-c1csc(NC2CCN(CC(O)=O)CC2)n1 Show InChI InChI=1S/C17H21N5O2S/c18-16(19)12-3-1-11(2-4-12)14-10-25-17(21-14)20-13-5-7-22(8-6-13)9-15(23)24/h1-4,10,13H,5-9H2,(H3,18,19)(H,20,21)(H,23,24) | PDB
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi Recherche
Curated by ChEMBL
| Assay Description
In vitro inhibition of ADP-induced (2.5 microM) human platelet aggregation. |
J Med Chem 40: 3393-401 (1997)
Article DOI: 10.1021/jm970240y
BindingDB Entry DOI: 10.7270/Q2FX78J3 |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50060308
(CHEMBL115191 | {4-[4-(4-Carbamimidoyl-phenyl)-thia...)Show SMILES NC(=N)c1ccc(cc1)-c1csc(NC2CCN(CC(O)=O)CC2)n1 Show InChI InChI=1S/C17H21N5O2S/c18-16(19)12-3-1-11(2-4-12)14-10-25-17(21-14)20-13-5-7-22(8-6-13)9-15(23)24/h1-4,10,13H,5-9H2,(H3,18,19)(H,20,21)(H,23,24) | PDB
KEGG
UniProtKB/SwissProt
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DrugBank
antibodypedia
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi Recherche
Curated by ChEMBL
| Assay Description
In vitro inhibition of ADP-induced (2.5 microM) human platelet aggregation. |
J Med Chem 40: 3393-401 (1997)
Article DOI: 10.1021/jm970240y
BindingDB Entry DOI: 10.7270/Q2FX78J3 |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50060307
(3-[[4-(4-Carbamimidoyl-phenyl)-thiazol-2-yl]-(1-ca...)Show SMILES NC(=N)c1ccc(cc1)-c1csc(n1)N(CCC(O)=O)C1CCN(CC(O)=O)CC1 Show InChI InChI=1S/C20H25N5O4S/c21-19(22)14-3-1-13(2-4-14)16-12-30-20(23-16)25(10-7-17(26)27)15-5-8-24(9-6-15)11-18(28)29/h1-4,12,15H,5-11H2,(H3,21,22)(H,26,27)(H,28,29) | PDB
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CHEMBL
MCE
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi Recherche
Curated by ChEMBL
| Assay Description
In vitro inhibition of ADP-induced (2.5 microM) human platelet aggregation. |
J Med Chem 40: 3393-401 (1997)
Article DOI: 10.1021/jm970240y
BindingDB Entry DOI: 10.7270/Q2FX78J3 |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50060308
(CHEMBL115191 | {4-[4-(4-Carbamimidoyl-phenyl)-thia...)Show SMILES NC(=N)c1ccc(cc1)-c1csc(NC2CCN(CC(O)=O)CC2)n1 Show InChI InChI=1S/C17H21N5O2S/c18-16(19)12-3-1-11(2-4-12)14-10-25-17(21-14)20-13-5-7-22(8-6-13)9-15(23)24/h1-4,10,13H,5-9H2,(H3,18,19)(H,20,21)(H,23,24) | PDB
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 53 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi Recherche
Curated by ChEMBL
| Assay Description
In vitro inhibition of ADP-induced (2.5 microM) baboon platelet aggregation. |
J Med Chem 40: 3393-401 (1997)
Article DOI: 10.1021/jm970240y
BindingDB Entry DOI: 10.7270/Q2FX78J3 |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50060307
(3-[[4-(4-Carbamimidoyl-phenyl)-thiazol-2-yl]-(1-ca...)Show SMILES NC(=N)c1ccc(cc1)-c1csc(n1)N(CCC(O)=O)C1CCN(CC(O)=O)CC1 Show InChI InChI=1S/C20H25N5O4S/c21-19(22)14-3-1-13(2-4-14)16-12-30-20(23-16)25(10-7-17(26)27)15-5-8-24(9-6-15)11-18(28)29/h1-4,12,15H,5-11H2,(H3,21,22)(H,26,27)(H,28,29) | PDB
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CHEMBL
MCE
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi Recherche
Curated by ChEMBL
| Assay Description
In vitro inhibition of ADP-induced (2.5 microM) baboon platelet aggregation. |
J Med Chem 40: 3393-401 (1997)
Article DOI: 10.1021/jm970240y
BindingDB Entry DOI: 10.7270/Q2FX78J3 |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50060312
(CHEMBL115775 | {4-[4-(4-Carbamimidoyl-phenyl)-thia...)Show SMILES NC(=N)c1ccc(cc1)-c1csc(NC2CCN(CC2)C(C(O)=O)c2ccccc2)n1 Show InChI InChI=1S/C23H25N5O2S/c24-21(25)17-8-6-15(7-9-17)19-14-31-23(27-19)26-18-10-12-28(13-11-18)20(22(29)30)16-4-2-1-3-5-16/h1-9,14,18,20H,10-13H2,(H3,24,25)(H,26,27)(H,29,30) | PDB
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi Recherche
Curated by ChEMBL
| Assay Description
In vitro inhibition of ADP-induced (2.5 microM) human platelet aggregation. |
J Med Chem 40: 3393-401 (1997)
Article DOI: 10.1021/jm970240y
BindingDB Entry DOI: 10.7270/Q2FX78J3 |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50060306
(2-{4-[4-(4-Carbamimidoyl-phenyl)-thiazol-2-ylamino...)Show SMILES COC(=O)CC(N1CCC(CC1)Nc1nc(cs1)-c1ccc(cc1)C(N)=N)C(O)=O Show InChI InChI=1S/C20H25N5O4S/c1-29-17(26)10-16(19(27)28)25-8-6-14(7-9-25)23-20-24-15(11-30-20)12-2-4-13(5-3-12)18(21)22/h2-5,11,14,16H,6-10H2,1H3,(H3,21,22)(H,23,24)(H,27,28) | PDB
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 85 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi Recherche
Curated by ChEMBL
| Assay Description
In vitro inhibition of ADP-induced (2.5 microM) human platelet aggregation. |
J Med Chem 40: 3393-401 (1997)
Article DOI: 10.1021/jm970240y
BindingDB Entry DOI: 10.7270/Q2FX78J3 |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50060314
(4-[[4-(4-Carbamimidoyl-phenyl)-thiazol-2-yl]-(1-ca...)Show SMILES NC(=N)c1ccc(cc1)-c1csc(n1)N(CCCC(O)=O)C1CCN(CC(O)=O)CC1 Show InChI InChI=1S/C21H27N5O4S/c22-20(23)15-5-3-14(4-6-15)17-13-31-21(24-17)26(9-1-2-18(27)28)16-7-10-25(11-8-16)12-19(29)30/h3-6,13,16H,1-2,7-12H2,(H3,22,23)(H,27,28)(H,29,30) | PDB
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 96 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi Recherche
Curated by ChEMBL
| Assay Description
In vitro inhibition of ADP-induced (2.5 microM) human platelet aggregation. |
J Med Chem 40: 3393-401 (1997)
Article DOI: 10.1021/jm970240y
BindingDB Entry DOI: 10.7270/Q2FX78J3 |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50060310
((4-{[4-(4-carbamimidoyl-phenyl)-thiazol-2-yl]-meth...)Show SMILES CN(C1CCN(CC(O)=O)CC1)c1nc(cs1)-c1ccc(cc1)C(N)=N Show InChI InChI=1S/C18H23N5O2S/c1-22(14-6-8-23(9-7-14)10-16(24)25)18-21-15(11-26-18)12-2-4-13(5-3-12)17(19)20/h2-5,11,14H,6-10H2,1H3,(H3,19,20)(H,24,25) | PDB
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antibodypedia
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi Recherche
Curated by ChEMBL
| Assay Description
In vitro inhibition of ADP-induced (2.5 microM) human platelet aggregation. |
J Med Chem 40: 3393-401 (1997)
Article DOI: 10.1021/jm970240y
BindingDB Entry DOI: 10.7270/Q2FX78J3 |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50060315
((4-{[4-(4-carbamimidoyl-phenyl)-thiazol-2-yl]-carb...)Show SMILES NC(=N)c1ccc(cc1)-c1csc(n1)N(CC(O)=O)C1CCN(CC(O)=O)CC1 Show InChI InChI=1S/C19H23N5O4S/c20-18(21)13-3-1-12(2-4-13)15-11-29-19(22-15)24(10-17(27)28)14-5-7-23(8-6-14)9-16(25)26/h1-4,11,14H,5-10H2,(H3,20,21)(H,25,26)(H,27,28) | PDB
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antibodypedia
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi Recherche
Curated by ChEMBL
| Assay Description
In vitro inhibition of ADP-induced (2.5 microM) human platelet aggregation. |
J Med Chem 40: 3393-401 (1997)
Article DOI: 10.1021/jm970240y
BindingDB Entry DOI: 10.7270/Q2FX78J3 |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50060316
((4-{Benzyl-[4-(4-carbamimidoyl-phenyl)-thiazol-2-y...)Show SMILES NC(=N)c1ccc(cc1)-c1csc(n1)N(Cc1ccccc1)C1CCN(CC(O)=O)CC1 Show InChI InChI=1S/C24H27N5O2S/c25-23(26)19-8-6-18(7-9-19)21-16-32-24(27-21)29(14-17-4-2-1-3-5-17)20-10-12-28(13-11-20)15-22(30)31/h1-9,16,20H,10-15H2,(H3,25,26)(H,30,31) | PDB
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi Recherche
Curated by ChEMBL
| Assay Description
In vitro inhibition of ADP-induced (2.5 microM) human platelet aggregation. |
J Med Chem 40: 3393-401 (1997)
Article DOI: 10.1021/jm970240y
BindingDB Entry DOI: 10.7270/Q2FX78J3 |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50060309
(2-{4-[4-(4-carbamimidoyl-phenyl)-thiazol-2-ylamino...)Show SMILES CC(N1CCC(CC1)Nc1nc(cs1)-c1ccc(cc1)C(N)=N)C(O)=O Show InChI InChI=1S/C18H23N5O2S/c1-11(17(24)25)23-8-6-14(7-9-23)21-18-22-15(10-26-18)12-2-4-13(5-3-12)16(19)20/h2-5,10-11,14H,6-9H2,1H3,(H3,19,20)(H,21,22)(H,24,25) | PDB
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi Recherche
Curated by ChEMBL
| Assay Description
In vitro inhibition of ADP-induced (2.5 microM) human platelet aggregation. |
J Med Chem 40: 3393-401 (1997)
Article DOI: 10.1021/jm970240y
BindingDB Entry DOI: 10.7270/Q2FX78J3 |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50060311
(3-{4-[4-(4-carbamimidoyl-phenyl)-thiazol-2-ylamino...)Show SMILES NC(=N)c1ccc(cc1)-c1csc(NC2CCN(CCC(O)=O)CC2)n1 Show InChI InChI=1S/C18H23N5O2S/c19-17(20)13-3-1-12(2-4-13)15-11-26-18(22-15)21-14-5-8-23(9-6-14)10-7-16(24)25/h1-4,11,14H,5-10H2,(H3,19,20)(H,21,22)(H,24,25) | PDB
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antibodypedia
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi Recherche
Curated by ChEMBL
| Assay Description
In vitro inhibition of ADP-induced (2.5 microM) human platelet aggregation. |
J Med Chem 40: 3393-401 (1997)
Article DOI: 10.1021/jm970240y
BindingDB Entry DOI: 10.7270/Q2FX78J3 |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50060313
(4-[4-(4-carbamimidoyl-phenyl)-thiazol-2-ylamino]-p...)Show SMILES NC(=N)c1ccc(cc1)-c1csc(NC2CCN(CC2)C(C(O)=O)c2ccccc2Cl)n1 Show InChI InChI=1S/C23H24ClN5O2S/c24-18-4-2-1-3-17(18)20(22(30)31)29-11-9-16(10-12-29)27-23-28-19(13-32-23)14-5-7-15(8-6-14)21(25)26/h1-8,13,16,20H,9-12H2,(H3,25,26)(H,27,28)(H,30,31) | PDB
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi Recherche
Curated by ChEMBL
| Assay Description
In vitro inhibition of ADP-induced (2.5 microM) human platelet aggregation. |
J Med Chem 40: 3393-401 (1997)
Article DOI: 10.1021/jm970240y
BindingDB Entry DOI: 10.7270/Q2FX78J3 |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50060317
(2-{4-[4-(4-Carbamimidoyl-phenyl)-thiazol-2-ylamino...)Show SMILES CC(C)(N1CCC(CC1)Nc1nc(cs1)-c1ccc(cc1)C(N)=N)C(O)=O Show InChI InChI=1S/C19H25N5O2S/c1-19(2,17(25)26)24-9-7-14(8-10-24)22-18-23-15(11-27-18)12-3-5-13(6-4-12)16(20)21/h3-6,11,14H,7-10H2,1-2H3,(H3,20,21)(H,22,23)(H,25,26) | PDB
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi Recherche
Curated by ChEMBL
| Assay Description
In vitro inhibition of ADP-induced (2.5 microM) human platelet aggregation. |
J Med Chem 40: 3393-401 (1997)
Article DOI: 10.1021/jm970240y
BindingDB Entry DOI: 10.7270/Q2FX78J3 |
More data for this
Ligand-Target Pair | |
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