Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = 'Integrin alpha-IIb/beta-3' and Ligand = 'BDBM50098965'   

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))	BDBM50098965 (3-{2-[(Z)-4-Carbamimidoyl-benzoylimino]-3,4-dimeth...) Show SMILES Cc1c(CCC(O)=O)s\c(=N/C(=O)c2ccc(cc2)C(N)=N)n1C Show InChI InChI=1S/C16H18N4O3S/c1-9-12(7-8-13(21)22)24-16(20(9)2)19-15(23)11-5-3-10(4-6-11)14(17)18/h3-6H,7-8H2,1-2H3,(H3,17,18)(H,21,22)/b19-16-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	0.0460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Binding to [125I]- fibrinogen by washed platelet fibrinogen receptor				Bioorg Med Chem Lett 11: 1031-5 (2001) BindingDB Entry DOI: 10.7270/Q29G5M2G
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50098965 (3-{2-[(Z)-4-Carbamimidoyl-benzoylimino]-3,4-dimeth...) Show SMILES Cc1c(CCC(O)=O)s\c(=N/C(=O)c2ccc(cc2)C(N)=N)n1C Show InChI InChI=1S/C16H18N4O3S/c1-9-12(7-8-13(21)22)24-16(20(9)2)19-15(23)11-5-3-10(4-6-11)14(17)18/h3-6H,7-8H2,1-2H3,(H3,17,18)(H,21,22)/b19-16-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	0.0900	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Affinity for purified activated GPIIb/IIIa fibrinogen receptor in ELISA				Bioorg Med Chem Lett 11: 1031-5 (2001) BindingDB Entry DOI: 10.7270/Q29G5M2G
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50098965 (3-{2-[(Z)-4-Carbamimidoyl-benzoylimino]-3,4-dimeth...) Show SMILES Cc1c(CCC(O)=O)s\c(=N/C(=O)c2ccc(cc2)C(N)=N)n1C Show InChI InChI=1S/C16H18N4O3S/c1-9-12(7-8-13(21)22)24-16(20(9)2)19-15(23)11-5-3-10(4-6-11)14(17)18/h3-6H,7-8H2,1-2H3,(H3,17,18)(H,21,22)/b19-16-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Affinity for purified activated GPIIb/IIIa fibrinogen receptor in ELISA				Bioorg Med Chem Lett 11: 1031-5 (2001) BindingDB Entry DOI: 10.7270/Q29G5M2G
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50098965 (3-{2-[(Z)-4-Carbamimidoyl-benzoylimino]-3,4-dimeth...) Show SMILES Cc1c(CCC(O)=O)s\c(=N/C(=O)c2ccc(cc2)C(N)=N)n1C Show InChI InChI=1S/C16H18N4O3S/c1-9-12(7-8-13(21)22)24-16(20(9)2)19-15(23)11-5-3-10(4-6-11)14(17)18/h3-6H,7-8H2,1-2H3,(H3,17,18)(H,21,22)/b19-16-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Affinity for purified activated GPIIb/IIIa fibrinogen receptor in ELISA				Bioorg Med Chem Lett 11: 1031-5 (2001) BindingDB Entry DOI: 10.7270/Q29G5M2G
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50098965 (3-{2-[(Z)-4-Carbamimidoyl-benzoylimino]-3,4-dimeth...) Show SMILES Cc1c(CCC(O)=O)s\c(=N/C(=O)c2ccc(cc2)C(N)=N)n1C Show InChI InChI=1S/C16H18N4O3S/c1-9-12(7-8-13(21)22)24-16(20(9)2)19-15(23)11-5-3-10(4-6-11)14(17)18/h3-6H,7-8H2,1-2H3,(H3,17,18)(H,21,22)/b19-16-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of ADP (5 microM) induced platelet aggregation of mouse platelet rich plasma				Bioorg Med Chem Lett 11: 1031-5 (2001) BindingDB Entry DOI: 10.7270/Q29G5M2G
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50098965 (3-{2-[(Z)-4-Carbamimidoyl-benzoylimino]-3,4-dimeth...) Show SMILES Cc1c(CCC(O)=O)s\c(=N/C(=O)c2ccc(cc2)C(N)=N)n1C Show InChI InChI=1S/C16H18N4O3S/c1-9-12(7-8-13(21)22)24-16(20(9)2)19-15(23)11-5-3-10(4-6-11)14(17)18/h3-6H,7-8H2,1-2H3,(H3,17,18)(H,21,22)/b19-16-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Binding to [125I]- fibrinogen by washed platelet fibrinogen receptor				Bioorg Med Chem Lett 11: 1031-5 (2001) BindingDB Entry DOI: 10.7270/Q29G5M2G
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50098965 (3-{2-[(Z)-4-Carbamimidoyl-benzoylimino]-3,4-dimeth...) Show SMILES Cc1c(CCC(O)=O)s\c(=N/C(=O)c2ccc(cc2)C(N)=N)n1C Show InChI InChI=1S/C16H18N4O3S/c1-9-12(7-8-13(21)22)24-16(20(9)2)19-15(23)11-5-3-10(4-6-11)14(17)18/h3-6H,7-8H2,1-2H3,(H3,17,18)(H,21,22)/b19-16-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Binding to [125I]- fibrinogen by washed platelet fibrinogen receptor				Bioorg Med Chem Lett 11: 1031-5 (2001) BindingDB Entry DOI: 10.7270/Q29G5M2G
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50098965 (3-{2-[(Z)-4-Carbamimidoyl-benzoylimino]-3,4-dimeth...) Show SMILES Cc1c(CCC(O)=O)s\c(=N/C(=O)c2ccc(cc2)C(N)=N)n1C Show InChI InChI=1S/C16H18N4O3S/c1-9-12(7-8-13(21)22)24-16(20(9)2)19-15(23)11-5-3-10(4-6-11)14(17)18/h3-6H,7-8H2,1-2H3,(H3,17,18)(H,21,22)/b19-16-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of ADP (10 microM) and epinephrine (10 microM) induced platelet aggregation of dog platelet rich plasma				Bioorg Med Chem Lett 11: 1031-5 (2001) BindingDB Entry DOI: 10.7270/Q29G5M2G
					More data for this Ligand-Target Pair