Compile Data Set for Download or QSAR

Found 208 hits with Last Name = 'tobin' and Initial = 'ae'   

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))	BDBM50058855 ((S)-2-Butoxycarbonylamino-3-{2-[(R)-3-(4-carbamimi...) Show SMILES CCCCOC(=O)N[C@@H](CNC(=O)C[C@H]1CC(=NO1)c1ccc(cc1)C(N)=N)C(O)=O |c:16| Show InChI InChI=1S/C20H27N5O6/c1-2-3-8-30-20(29)24-16(19(27)28)11-23-17(26)10-14-9-15(25-31-14)12-4-6-13(7-5-12)18(21)22/h4-7,14,16H,2-3,8-11H2,1H3,(H3,21,22)(H,23,26)(H,24,29)(H,27,28)/t14-,16+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	0.25	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhbition of platelet aggregation in heparin treated human platelet rich plasma (PRP)				Bioorg Med Chem Lett 9: 123-6 (1999) BindingDB Entry DOI: 10.7270/Q2P55MND
					More data for this Ligand-Target Pair				3D Structure (crystal)
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50058855 ((S)-2-Butoxycarbonylamino-3-{2-[(R)-3-(4-carbamimi...) Show SMILES CCCCOC(=O)N[C@@H](CNC(=O)C[C@H]1CC(=NO1)c1ccc(cc1)C(N)=N)C(O)=O |c:16| Show InChI InChI=1S/C20H27N5O6/c1-2-3-8-30-20(29)24-16(19(27)28)11-23-17(26)10-14-9-15(25-31-14)12-4-6-13(7-5-12)18(21)22/h4-7,14,16H,2-3,8-11H2,1H3,(H3,21,22)(H,23,26)(H,24,29)(H,27,28)/t14-,16+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.25	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description Inhibition of [125I]fibrinogen binding to purified platelet Fibrinogen Receptor				J Med Chem 40: 2064-84 (1997) Article DOI: 10.1021/jm960799i BindingDB Entry DOI: 10.7270/Q2DB82HC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50073814 (3-{2-[3-(4-Carbamimidoyl-phenyl)-4,5-dihydro-isoxa...) Show SMILES COP(=O)(NC(CNC(=O)CC1CC(=NO1)c1ccc(cc1)C(N)=N)C(O)=O)OC |c:13| Show InChI InChI=1S/C17H24N5O7P/c1-27-30(26,28-2)22-14(17(24)25)9-20-15(23)8-12-7-13(21-29-12)10-3-5-11(6-4-10)16(18)19/h3-6,12,14H,7-9H2,1-2H3,(H3,18,19)(H,20,23)(H,22,26)(H,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.550	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhbition of platelet aggregation in heparin treated human platelet rich plasma (PRP)				Bioorg Med Chem Lett 9: 123-6 (1999) BindingDB Entry DOI: 10.7270/Q2P55MND
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50073819 (3-{2-[3-(4-Carbamimidoyl-phenyl)-4,5-dihydro-isoxa...) Show SMILES CC(C)OP(=O)(NC(CNC(=O)CC1CC(=NO1)c1ccc(cc1)C(N)=N)C(O)=O)OC(C)C |c:15| Show InChI InChI=1S/C21H32N5O7P/c1-12(2)32-34(30,33-13(3)4)26-18(21(28)29)11-24-19(27)10-16-9-17(25-31-16)14-5-7-15(8-6-14)20(22)23/h5-8,12-13,16,18H,9-11H2,1-4H3,(H3,22,23)(H,24,27)(H,26,30)(H,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.860	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibition of platelet aggregation in citrated human platelet rich plasma (PRP)				Bioorg Med Chem Lett 9: 123-6 (1999) BindingDB Entry DOI: 10.7270/Q2P55MND
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50055896 (3-{2-[3-(4-Carbamimidoyl-phenyl)-4,5-dihydro-isoxa...) Show SMILES NC(=N)c1ccc(cc1)C1=NOC(CC(=O)NCCC(O)=O)C1 |t:10| Show InChI InChI=1S/C15H18N4O4/c16-15(17)10-3-1-9(2-4-10)12-7-11(23-19-12)8-13(20)18-6-5-14(21)22/h1-4,11H,5-8H2,(H3,16,17)(H,18,20)(H,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description Inhibition of Fibrinogen Receptor integrin alphaIIb-beta3 in ELISA				J Med Chem 40: 50-60 (1997) Article DOI: 10.1021/jm960626t BindingDB Entry DOI: 10.7270/Q2HD7TRV
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50055896 (3-{2-[3-(4-Carbamimidoyl-phenyl)-4,5-dihydro-isoxa...) Show SMILES NC(=N)c1ccc(cc1)C1=NOC(CC(=O)NCCC(O)=O)C1 |t:10| Show InChI InChI=1S/C15H18N4O4/c16-15(17)10-3-1-9(2-4-10)12-7-11(23-19-12)8-13(20)18-6-5-14(21)22/h1-4,11H,5-8H2,(H3,16,17)(H,18,20)(H,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibition of fibrinogen (Fg) interaction with GPIIb/IIIa in gel filtered platelets				Bioorg Med Chem Lett 9: 123-6 (1999) BindingDB Entry DOI: 10.7270/Q2P55MND
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50073820 (3-{2-[3-(4-Carbamimidoyl-phenyl)-4,5-dihydro-isoxa...) Show SMILES CCCCOP(=O)(NC(CNC(=O)CC1CC(=NO1)c1ccc(cc1)C(N)=N)C(O)=O)OCCCC |c:16| Show InChI InChI=1S/C23H36N5O7P/c1-3-5-11-33-36(32,34-12-6-4-2)28-20(23(30)31)15-26-21(29)14-18-13-19(27-35-18)16-7-9-17(10-8-16)22(24)25/h7-10,18,20H,3-6,11-15H2,1-2H3,(H3,24,25)(H,26,29)(H,28,32)(H,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Affinity for purified human platelet glycoprotein alpha IIb beta3 integrin receptor in ELISA				Bioorg Med Chem Lett 9: 123-6 (1999) BindingDB Entry DOI: 10.7270/Q2P55MND
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50073818 (2-(Bis-allyloxy-phosphorylamino)-3-{2-[3-(4-carbam...) Show SMILES NC(=N)c1ccc(cc1)C1=NOC(CC(=O)NCC(NP(=O)(OCC=C)OCC=C)C(O)=O)C1 |t:10| Show InChI InChI=1S/C21H28N5O7P/c1-3-9-31-34(30,32-10-4-2)26-18(21(28)29)13-24-19(27)12-16-11-17(25-33-16)14-5-7-15(8-6-14)20(22)23/h3-8,16,18H,1-2,9-13H2,(H3,22,23)(H,24,27)(H,26,30)(H,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibition of fibrinogen (Fg) interaction with GPIIb/IIIa in gel filtered platelets				Bioorg Med Chem Lett 9: 123-6 (1999) BindingDB Entry DOI: 10.7270/Q2P55MND
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50073817 (3-{2-[3-(4-Carbamimidoyl-phenyl)-4,5-dihydro-isoxa...) Show SMILES CCOP(=O)(NC(CNC(=O)CC1CC(=NO1)c1ccc(cc1)C(N)=N)C(O)=O)OCC |c:14| Show InChI InChI=1S/C19H28N5O7P/c1-3-29-32(28,30-4-2)24-16(19(26)27)11-22-17(25)10-14-9-15(23-31-14)12-5-7-13(8-6-12)18(20)21/h5-8,14,16H,3-4,9-11H2,1-2H3,(H3,20,21)(H,22,25)(H,24,28)(H,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibition of fibrinogen (Fg) interaction with GPIIb/IIIa in gel filtered platelets				Bioorg Med Chem Lett 9: 123-6 (1999) BindingDB Entry DOI: 10.7270/Q2P55MND
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50073815 (3-{2-[3-(4-Carbamimidoyl-phenyl)-4,5-dihydro-isoxa...) Show SMILES NC(=N)c1ccc(cc1)C1=NOC(CC(=O)NCC(NP(O)(O)=O)C(O)=O)C1 |t:10| Show InChI InChI=1S/C15H20N5O7P/c16-14(17)9-3-1-8(2-4-9)11-5-10(27-19-11)6-13(21)18-7-12(15(22)23)20-28(24,25)26/h1-4,10,12H,5-7H2,(H3,16,17)(H,18,21)(H,22,23)(H3,20,24,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibition of fibrinogen (Fg) interaction with GPIIb/IIIa in gel filtered platelets				Bioorg Med Chem Lett 9: 123-6 (1999) BindingDB Entry DOI: 10.7270/Q2P55MND
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50083766 (2-(3,5-Dichloro-biphenyl-4-sulfonylamino)-3-({5-[4...) Show SMILES OC(=O)[C@H](CNC(=O)C1=NOC(CCCCNc2ncc[nH]2)C1)NS(=O)(=O)c1c(Cl)cc(cc1Cl)-c1ccccc1 |t:8| Show InChI InChI=1S/C26H28Cl2N6O6S/c27-19-12-17(16-6-2-1-3-7-16)13-20(28)23(19)41(38,39)34-22(25(36)37)15-32-24(35)21-14-18(40-33-21)8-4-5-9-29-26-30-10-11-31-26/h1-3,6-7,10-13,18,22,34H,4-5,8-9,14-15H2,(H,32,35)(H,36,37)(H2,29,30,31)/t18?,22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibition of vitronectin receptor (alpha V beta 3), expressed on human 293 cells, binding to immobilized fibrinogen				J Med Chem 43: 27-40 (2000) BindingDB Entry DOI: 10.7270/Q2571B77
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50083788 (2-(2-Chloro-6-methyl-benzenesulfonylamino)-3-({5-[...) Show SMILES Cc1cccc(Cl)c1S(=O)(=O)N[C@@H](CNC(=O)C1=NOC(CCCCNc2ncc[nH]2)C1)C(O)=O |t:18| Show InChI InChI=1S/C21H27ClN6O6S/c1-13-5-4-7-15(22)18(13)35(32,33)28-17(20(30)31)12-26-19(29)16-11-14(34-27-16)6-2-3-8-23-21-24-9-10-25-21/h4-5,7,9-10,14,17,28H,2-3,6,8,11-12H2,1H3,(H,26,29)(H,30,31)(H2,23,24,25)/t14?,17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.10	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibition of vitronectin receptor (alpha V beta 3), expressed on human 293 cells, binding to immobilized fibrinogen				J Med Chem 43: 27-40 (2000) BindingDB Entry DOI: 10.7270/Q2571B77
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50083789 (2-(3,5-Dimethyl-biphenyl-4-sulfonylamino)-3-({5-[4...) Show SMILES Cc1cc(cc(C)c1S(=O)(=O)N[C@@H](CNC(=O)C1=NOC(CCCCNc2ncc[nH]2)C1)C(O)=O)-c1ccccc1 |t:18| Show InChI InChI=1S/C28H34N6O6S/c1-18-14-21(20-8-4-3-5-9-20)15-19(2)25(18)41(38,39)34-24(27(36)37)17-32-26(35)23-16-22(40-33-23)10-6-7-11-29-28-30-12-13-31-28/h3-5,8-9,12-15,22,24,34H,6-7,10-11,16-17H2,1-2H3,(H,32,35)(H,36,37)(H2,29,30,31)/t22?,24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.80	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibition of vitronectin receptor (alpha V beta 3), expressed on human 293 cells, binding to immobilized fibrinogen				J Med Chem 43: 27-40 (2000) BindingDB Entry DOI: 10.7270/Q2571B77
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50055896 (3-{2-[3-(4-Carbamimidoyl-phenyl)-4,5-dihydro-isoxa...) Show SMILES NC(=N)c1ccc(cc1)C1=NOC(CC(=O)NCCC(O)=O)C1 |t:10| Show InChI InChI=1S/C15H18N4O4/c16-15(17)10-3-1-9(2-4-10)12-7-11(23-19-12)8-13(20)18-6-5-14(21)22/h1-4,11H,5-8H2,(H3,16,17)(H,18,20)(H,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description Inhibition of [125I]fibrinogen binding to activated human platelets				J Med Chem 40: 50-60 (1997) Article DOI: 10.1021/jm960626t BindingDB Entry DOI: 10.7270/Q2HD7TRV
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50083768 ((S)3-({5-[4-(1H-Imidazol-2-ylamino)-butyl]-4,5-dih...) Show SMILES OC(=O)[C@H](CNC(=O)C1=NOC(CCCCNc2ncc[nH]2)C1)NS(=O)(=O)c1ccccc1 |t:8| Show InChI InChI=1S/C20H26N6O6S/c27-18(16-12-14(32-25-16)6-4-5-9-21-20-22-10-11-23-20)24-13-17(19(28)29)26-33(30,31)15-7-2-1-3-8-15/h1-3,7-8,10-11,14,17,26H,4-6,9,12-13H2,(H,24,27)(H,28,29)(H2,21,22,23)/t14?,17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	10.6	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibition of vitronectin receptor (alpha V beta 3), expressed on human 293 cells, binding to immobilized fibrinogen				J Med Chem 43: 27-40 (2000) BindingDB Entry DOI: 10.7270/Q2571B77
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50083768 ((S)3-({5-[4-(1H-Imidazol-2-ylamino)-butyl]-4,5-dih...) Show SMILES OC(=O)[C@H](CNC(=O)C1=NOC(CCCCNc2ncc[nH]2)C1)NS(=O)(=O)c1ccccc1 |t:8| Show InChI InChI=1S/C20H26N6O6S/c27-18(16-12-14(32-25-16)6-4-5-9-21-20-22-10-11-23-20)24-13-17(19(28)29)26-33(30,31)15-7-2-1-3-8-15/h1-3,7-8,10-11,14,17,26H,4-6,9,12-13H2,(H,24,27)(H,28,29)(H2,21,22,23)/t14?,17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	10.6	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibition of vitronectin receptor (alpha V beta 3), expressed on human 293 cells, binding to immobilized fibrinogen				J Med Chem 43: 27-40 (2000) BindingDB Entry DOI: 10.7270/Q2571B77
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50058855 ((S)-2-Butoxycarbonylamino-3-{2-[(R)-3-(4-carbamimi...) Show SMILES CCCCOC(=O)N[C@@H](CNC(=O)C[C@H]1CC(=NO1)c1ccc(cc1)C(N)=N)C(O)=O |c:16| Show InChI InChI=1S/C20H27N5O6/c1-2-3-8-30-20(29)24-16(19(27)28)11-23-17(26)10-14-9-15(25-31-14)12-4-6-13(7-5-12)18(21)22/h4-7,14,16H,2-3,8-11H2,1H3,(H3,21,22)(H,23,26)(H,24,29)(H,27,28)/t14-,16+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description Inhibition of [125I]fibrinogen binding to activated human platelets				J Med Chem 40: 2064-84 (1997) Article DOI: 10.1021/jm960799i BindingDB Entry DOI: 10.7270/Q2DB82HC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50083769 (3-({5-[4-(1H-Imidazol-2-ylamino)-butyl]-4,5-dihydr...) Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](CNC(=O)C1=NOC(CCCCNc2ncc[nH]2)C1)C(O)=O |t:19| Show InChI InChI=1S/C23H32N6O6S/c1-14-10-15(2)20(16(3)11-14)36(33,34)29-19(22(31)32)13-27-21(30)18-12-17(35-28-18)6-4-5-7-24-23-25-8-9-26-23/h8-11,17,19,29H,4-7,12-13H2,1-3H3,(H,27,30)(H,31,32)(H2,24,25,26)/t17?,19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibition of vitronectin receptor (alpha V beta 3), expressed on human 293 cells, binding to immobilized fibrinogen				J Med Chem 43: 27-40 (2000) BindingDB Entry DOI: 10.7270/Q2571B77
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50083783 (2-(2,6-Dichloro-benzenesulfonylamino)-3-({5-[4-(1H...) Show SMILES OC(=O)[C@H](CNC(=O)C1=NOC(CCCCNc2ncc[nH]2)C1)NS(=O)(=O)c1c(Cl)cccc1Cl |t:8| Show InChI InChI=1S/C20H24Cl2N6O6S/c21-13-5-3-6-14(22)17(13)35(32,33)28-16(19(30)31)11-26-18(29)15-10-12(34-27-15)4-1-2-7-23-20-24-8-9-25-20/h3,5-6,8-9,12,16,28H,1-2,4,7,10-11H2,(H,26,29)(H,30,31)(H2,23,24,25)/t12?,16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibition of vitronectin receptor (alpha V beta 3), expressed on human 293 cells, binding to immobilized fibrinogen				J Med Chem 43: 27-40 (2000) BindingDB Entry DOI: 10.7270/Q2571B77
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50058855 ((S)-2-Butoxycarbonylamino-3-{2-[(R)-3-(4-carbamimi...) Show SMILES CCCCOC(=O)N[C@@H](CNC(=O)C[C@H]1CC(=NO1)c1ccc(cc1)C(N)=N)C(O)=O |c:16| Show InChI InChI=1S/C20H27N5O6/c1-2-3-8-30-20(29)24-16(19(27)28)11-23-17(26)10-14-9-15(25-31-14)12-4-6-13(7-5-12)18(21)22/h4-7,14,16H,2-3,8-11H2,1H3,(H3,21,22)(H,23,26)(H,24,29)(H,27,28)/t14-,16+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Affinity for purified human platelet glycoprotein alpha IIb beta3 integrin receptor in ELISA				Bioorg Med Chem Lett 9: 123-6 (1999) BindingDB Entry DOI: 10.7270/Q2P55MND
					More data for this Ligand-Target Pair				3D Structure (crystal)
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50083791 (3-({5-[3-(6-Amino-pyridin-2-yl)-propyl]-4,5-dihydr...) Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](CNC(=O)C1=NOC(CCCc2cccc(N)n2)C1)C(O)=O |t:19| Show InChI InChI=1S/C24H31N5O6S/c1-14-10-15(2)22(16(3)11-14)36(33,34)29-20(24(31)32)13-26-23(30)19-12-18(35-28-19)8-4-6-17-7-5-9-21(25)27-17/h5,7,9-11,18,20,29H,4,6,8,12-13H2,1-3H3,(H2,25,27)(H,26,30)(H,31,32)/t18?,20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibition of vitronectin receptor (alpha V beta 3), expressed on human 293 cells, binding to immobilized fibrinogen				J Med Chem 43: 27-40 (2000) BindingDB Entry DOI: 10.7270/Q2571B77
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50058889 ((R)-2-Butoxycarbonylamino-3-{2-[(R)-3-(4-carbamimi...) Show SMILES CCCCOC(=O)N[C@H](CNC(=O)C[C@H]1CC(=NO1)c1ccc(cc1)C(N)=N)C(O)=O |c:16| Show InChI InChI=1S/C20H27N5O6/c1-2-3-8-30-20(29)24-16(19(27)28)11-23-17(26)10-14-9-15(25-31-14)12-4-6-13(7-5-12)18(21)22/h4-7,14,16H,2-3,8-11H2,1H3,(H3,21,22)(H,23,26)(H,24,29)(H,27,28)/t14-,16-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro inhibition of ADP-induced platelet aggregation in human platelet rich plasma (hPRP)				J Med Chem 40: 2064-84 (1997) Article DOI: 10.1021/jm960799i BindingDB Entry DOI: 10.7270/Q2DB82HC
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50075566 ((S)-3-{2-[(R)-3-(4-Carbamimidoyl-phenyl)-4,5-dihyd...) Show SMILES Cc1noc(C)c1S(=O)(=O)N[C@@H](CNC(=O)C[C@H]1CC(=NO1)c1ccc(cc1)C(N)=N)C(O)=O |c:20| Show InChI InChI=1S/C20H24N6O7S/c1-10-18(11(2)32-24-10)34(30,31)26-16(20(28)29)9-23-17(27)8-14-7-15(25-33-14)12-3-5-13(6-4-12)19(21)22/h3-6,14,16,26H,7-9H2,1-2H3,(H3,21,22)(H,23,27)(H,28,29)/t14-,16+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
The DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description Inhibitory activity against Fibrinogen Receptor				J Med Chem 42: 1178-92 (1999) Article DOI: 10.1021/jm980348t BindingDB Entry DOI: 10.7270/Q2WD3ZQZ
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50058900 ((S)-2-Butoxycarbonylamino-3-{2-[3-(4-carbamimidoyl...) Show SMILES CCCCOC(=O)N[C@@H](CNC(=O)CC1CC(=NO1)c1ccc(cc1)C(N)=N)C(=O)OC |c:16| Show InChI InChI=1S/C21H29N5O6/c1-3-4-9-31-21(29)25-17(20(28)30-2)12-24-18(27)11-15-10-16(26-32-15)13-5-7-14(8-6-13)19(22)23/h5-8,15,17H,3-4,9-12H2,1-2H3,(H3,22,23)(H,24,27)(H,25,29)/t15?,17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro inhibition of ADP-induced platelet aggregation in human platelet rich plasma (hPRP)				J Med Chem 40: 2064-84 (1997) Article DOI: 10.1021/jm960799i BindingDB Entry DOI: 10.7270/Q2DB82HC
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50058881 ((S)-2-(Butane-1-sulfonylamino)-3-{2-[3-(4-carbamim...) Show SMILES CCCCS(=O)(=O)N[C@@H](CNC(=O)CC1CC(=NO1)c1ccc(cc1)C(N)=N)C(O)=O |c:16| Show InChI InChI=1S/C19H27N5O6S/c1-2-3-8-31(28,29)24-16(19(26)27)11-22-17(25)10-14-9-15(23-30-14)12-4-6-13(7-5-12)18(20)21/h4-7,14,16,24H,2-3,8-11H2,1H3,(H3,20,21)(H,22,25)(H,26,27)/t14?,16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro inhibition of ADP-induced platelet aggregation in human platelet rich plasma (hPRP)				J Med Chem 40: 2064-84 (1997) Article DOI: 10.1021/jm960799i BindingDB Entry DOI: 10.7270/Q2DB82HC
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50083785 (3-({5-[3-(1H-Imidazol-2-ylcarbamoyl)-propyl]-4,5-d...) Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](CNC(=O)C1=NOC(CCCC(=O)Nc2ncc[nH]2)C1)C(O)=O |t:19| Show InChI InChI=1S/C23H30N6O7S/c1-13-9-14(2)20(15(3)10-13)37(34,35)29-18(22(32)33)12-26-21(31)17-11-16(36-28-17)5-4-6-19(30)27-23-24-7-8-25-23/h7-10,16,18,29H,4-6,11-12H2,1-3H3,(H,26,31)(H,32,33)(H2,24,25,27,30)/t16?,18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibition of vitronectin receptor (alpha V beta 3), expressed on human 293 cells, binding to immobilized fibrinogen				J Med Chem 43: 27-40 (2000) BindingDB Entry DOI: 10.7270/Q2571B77
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50058848 ((S)-3-{2-[3-(4-Carbamimidoyl-phenyl)-4,5-dihydro-i...) Show SMILES NC(=N)c1ccc(cc1)C1=NOC(CC(=O)NC[C@H](NC(=O)CCc2ccccc2)C(O)=O)C1 |t:10| Show InChI InChI=1S/C24H27N5O5/c25-23(26)17-9-7-16(8-10-17)19-12-18(34-29-19)13-22(31)27-14-20(24(32)33)28-21(30)11-6-15-4-2-1-3-5-15/h1-5,7-10,18,20H,6,11-14H2,(H3,25,26)(H,27,31)(H,28,30)(H,32,33)/t18?,20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro inhibition of ADP-induced platelet aggregation in human platelet rich plasma (hPRP)				J Med Chem 40: 2064-84 (1997) Article DOI: 10.1021/jm960799i BindingDB Entry DOI: 10.7270/Q2DB82HC
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50058847 ((S)-3-{2-[3-(4-Carbamimidoyl-phenyl)-4,5-dihydro-i...) Show SMILES NC(=N)c1ccc(cc1)C1=NOC(CC(=O)NC[C@H](NC(=O)OCCC(F)(F)F)C(O)=O)C1 |t:10| Show InChI InChI=1S/C19H22F3N5O6/c20-19(21,22)5-6-32-18(31)26-14(17(29)30)9-25-15(28)8-12-7-13(27-33-12)10-1-3-11(4-2-10)16(23)24/h1-4,12,14H,5-9H2,(H3,23,24)(H,25,28)(H,26,31)(H,29,30)/t12?,14-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro inhibition of ADP-induced platelet aggregation in human platelet rich plasma (hPRP)				J Med Chem 40: 2064-84 (1997) Article DOI: 10.1021/jm960799i BindingDB Entry DOI: 10.7270/Q2DB82HC
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50058853 ((S)-3-{2-[3-(4-Carbamimidoyl-phenyl)-4,5-dihydro-i...) Show SMILES NC(=N)c1ccc(cc1)C1=NOC(CC(=O)NC[C@H](NC(=O)OCCC2CCCC2)C(O)=O)C1 |t:10| Show InChI InChI=1S/C23H31N5O6/c24-21(25)16-7-5-15(6-8-16)18-11-17(34-28-18)12-20(29)26-13-19(22(30)31)27-23(32)33-10-9-14-3-1-2-4-14/h5-8,14,17,19H,1-4,9-13H2,(H3,24,25)(H,26,29)(H,27,32)(H,30,31)/t17?,19-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro inhibition of ADP-induced platelet aggregation in human platelet rich plasma (hPRP)				J Med Chem 40: 2064-84 (1997) Article DOI: 10.1021/jm960799i BindingDB Entry DOI: 10.7270/Q2DB82HC
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50058858 ((R)-2-Butoxycarbonylamino-3-{2-[(S)-3-(4-carbamimi...) Show SMILES CCCCOC(=O)N[C@H](CNC(=O)C[C@@H]1CC(=NO1)c1ccc(cc1)C(N)=N)C(O)=O |c:16| Show InChI InChI=1S/C20H27N5O6/c1-2-3-8-30-20(29)24-16(19(27)28)11-23-17(26)10-14-9-15(25-31-14)12-4-6-13(7-5-12)18(21)22/h4-7,14,16H,2-3,8-11H2,1H3,(H3,21,22)(H,23,26)(H,24,29)(H,27,28)/t14-,16+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro inhibition of ADP-induced platelet aggregation in human platelet rich plasma (hPRP)				J Med Chem 40: 2064-84 (1997) Article DOI: 10.1021/jm960799i BindingDB Entry DOI: 10.7270/Q2DB82HC
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50058866 ((S)-3-{2-[3-(4-Carbamimidoyl-phenyl)-4,5-dihydro-i...) Show SMILES NC(=N)c1ccc(cc1)C1=NOC(CC(=O)NC[C@H](NC(=O)OCc2ccccc2Cl)C(O)=O)C1 |t:10| Show InChI InChI=1S/C23H24ClN5O6/c24-17-4-2-1-3-15(17)12-34-23(33)28-19(22(31)32)11-27-20(30)10-16-9-18(29-35-16)13-5-7-14(8-6-13)21(25)26/h1-8,16,19H,9-12H2,(H3,25,26)(H,27,30)(H,28,33)(H,31,32)/t16?,19-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro inhibition of ADP-induced platelet aggregation in human platelet rich plasma (hPRP)				J Med Chem 40: 2064-84 (1997) Article DOI: 10.1021/jm960799i BindingDB Entry DOI: 10.7270/Q2DB82HC
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50083775 (3-[(5-{2-[3-(1H-Imidazol-2-yl)-ureido]-ethyl}-4,5-...) Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](CNC(=O)C1=NOC(CCNC(=O)Nc2ncc[nH]2)C1)C(O)=O |t:19| Show InChI InChI=1S/C22H29N7O7S/c1-12-8-13(2)18(14(3)9-12)37(34,35)29-17(20(31)32)11-26-19(30)16-10-15(36-28-16)4-5-25-22(33)27-21-23-6-7-24-21/h6-9,15,17,29H,4-5,10-11H2,1-3H3,(H,26,30)(H,31,32)(H3,23,24,25,27,33)/t15?,17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibition of vitronectin receptor (alpha V beta 3), expressed on human 293 cells, binding to immobilized fibrinogen				J Med Chem 43: 27-40 (2000) BindingDB Entry DOI: 10.7270/Q2571B77
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50058880 ((S)-3-{2-[3-(4-Carbamimidoyl-phenyl)-4,5-dihydro-i...) Show SMILES NC(=N)c1ccc(cc1)C1=NOC(CC(=O)NC[C@H](NC(=O)OCCC2CC2)C(O)=O)C1 |t:10| Show InChI InChI=1S/C21H27N5O6/c22-19(23)14-5-3-13(4-6-14)16-9-15(32-26-16)10-18(27)24-11-17(20(28)29)25-21(30)31-8-7-12-1-2-12/h3-6,12,15,17H,1-2,7-11H2,(H3,22,23)(H,24,27)(H,25,30)(H,28,29)/t15?,17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro inhibition of ADP-induced platelet aggregation in human platelet rich plasma (hPRP)				J Med Chem 40: 2064-84 (1997) Article DOI: 10.1021/jm960799i BindingDB Entry DOI: 10.7270/Q2DB82HC
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50058870 ((S)-3-{2-[3-(4-Carbamimidoyl-phenyl)-4,5-dihydro-i...) Show SMILES CCCCCCOC(=O)N[C@@H](CNC(=O)CC1CC(=NO1)c1ccc(cc1)C(N)=N)C(O)=O |c:18| Show InChI InChI=1S/C22H31N5O6/c1-2-3-4-5-10-32-22(31)26-18(21(29)30)13-25-19(28)12-16-11-17(27-33-16)14-6-8-15(9-7-14)20(23)24/h6-9,16,18H,2-5,10-13H2,1H3,(H3,23,24)(H,25,28)(H,26,31)(H,29,30)/t16?,18-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro inhibition of ADP-induced platelet aggregation in human platelet rich plasma (hPRP)				J Med Chem 40: 2064-84 (1997) Article DOI: 10.1021/jm960799i BindingDB Entry DOI: 10.7270/Q2DB82HC
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50058871 ((S)-2-Butoxycarbonylamino-3-{2-[3-(4-carbamimidoyl...) Show SMILES CCCCOC(=O)N[C@@H](CNC(=O)CC1CC(=NO1)c1ccc(cc1)C(N)=N)C(O)=O |c:16| Show InChI InChI=1S/C20H27N5O6/c1-2-3-8-30-20(29)24-16(19(27)28)11-23-17(26)10-14-9-15(25-31-14)12-4-6-13(7-5-12)18(21)22/h4-7,14,16H,2-3,8-11H2,1H3,(H3,21,22)(H,23,26)(H,24,29)(H,27,28)/t14?,16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro inhibition of ADP-induced platelet aggregation in human platelet rich plasma (hPRP)				J Med Chem 40: 2064-84 (1997) Article DOI: 10.1021/jm960799i BindingDB Entry DOI: 10.7270/Q2DB82HC
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50083780 (2-(3,5-Dimethyl-biphenyl-4-sulfonylamino)-3-({5-[4...) Show SMILES Cc1cc(cc(C)c1S(=O)(=O)N[C@@H](CNC(=O)C1=NOC(CCCCNc2ccccn2)C1)C(O)=O)-c1ccccc1 |t:18| Show InChI InChI=1S/C30H35N5O6S/c1-20-16-23(22-10-4-3-5-11-22)17-21(2)28(20)42(39,40)35-26(30(37)38)19-33-29(36)25-18-24(41-34-25)12-6-8-14-31-27-13-7-9-15-32-27/h3-5,7,9-11,13,15-17,24,26,35H,6,8,12,14,18-19H2,1-2H3,(H,31,32)(H,33,36)(H,37,38)/t24?,26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibition of vitronectin receptor (alpha V beta 3), expressed on human 293 cells, binding to immobilized fibrinogen				J Med Chem 43: 27-40 (2000) BindingDB Entry DOI: 10.7270/Q2571B77
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50058892 ((S)-2-(4-Bromo-benzyloxycarbonylamino)-3-{2-[3-(4-...) Show SMILES NC(=N)c1ccc(cc1)C1=NOC(CC(=O)NC[C@H](NC(=O)OCc2ccc(Br)cc2)C(O)=O)C1 |t:10| Show InChI InChI=1S/C23H24BrN5O6/c24-16-7-1-13(2-8-16)12-34-23(33)28-19(22(31)32)11-27-20(30)10-17-9-18(29-35-17)14-3-5-15(6-4-14)21(25)26/h1-8,17,19H,9-12H2,(H3,25,26)(H,27,30)(H,28,33)(H,31,32)/t17?,19-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro inhibition of ADP-induced platelet aggregation in human platelet rich plasma (hPRP)				J Med Chem 40: 2064-84 (1997) Article DOI: 10.1021/jm960799i BindingDB Entry DOI: 10.7270/Q2DB82HC
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50058883 ((S)-2-But-3-enyloxycarbonylamino-3-{2-[3-(4-carbam...) Show SMILES NC(=N)c1ccc(cc1)C1=NOC(CC(=O)NC[C@H](NC(=O)OCCC=C)C(O)=O)C1 |t:10| Show InChI InChI=1S/C20H25N5O6/c1-2-3-8-30-20(29)24-16(19(27)28)11-23-17(26)10-14-9-15(25-31-14)12-4-6-13(7-5-12)18(21)22/h2,4-7,14,16H,1,3,8-11H2,(H3,21,22)(H,23,26)(H,24,29)(H,27,28)/t14?,16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro inhibition of ADP-induced platelet aggregation in human platelet rich plasma (hPRP)				J Med Chem 40: 2064-84 (1997) Article DOI: 10.1021/jm960799i BindingDB Entry DOI: 10.7270/Q2DB82HC
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50083770 (3-({5-[3-(2-Amino-1H-imidazol-4-yl)-propyl]-4,5-di...) Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](CNC(=O)C1=NOC(CCCc2cnc(N)[nH]2)C1)C(O)=O |t:19| Show InChI InChI=1S/C22H30N6O6S/c1-12-7-13(2)19(14(3)8-12)35(32,33)28-18(21(30)31)11-24-20(29)17-9-16(34-27-17)6-4-5-15-10-25-22(23)26-15/h7-8,10,16,18,28H,4-6,9,11H2,1-3H3,(H,24,29)(H,30,31)(H3,23,25,26)/t16?,18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibition of vitronectin receptor (alpha V beta 3), expressed on human 293 cells, binding to immobilized fibrinogen				J Med Chem 43: 27-40 (2000) BindingDB Entry DOI: 10.7270/Q2571B77
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50073818 (2-(Bis-allyloxy-phosphorylamino)-3-{2-[3-(4-carbam...) Show SMILES NC(=N)c1ccc(cc1)C1=NOC(CC(=O)NCC(NP(=O)(OCC=C)OCC=C)C(O)=O)C1 |t:10| Show InChI InChI=1S/C21H28N5O7P/c1-3-9-31-34(30,32-10-4-2)26-18(21(28)29)13-24-19(27)12-16-11-17(25-33-16)14-5-7-15(8-6-14)20(22)23/h3-8,16,18H,1-2,9-13H2,(H3,22,23)(H,24,27)(H,26,30)(H,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibition of fibrinogen (Fg) interaction with GPIIb/IIIa in gel filtered platelets				Bioorg Med Chem Lett 9: 123-6 (1999) BindingDB Entry DOI: 10.7270/Q2P55MND
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50058864 ((S)-2-Benzyloxycarbonylamino-3-{2-[3-(4-carbamimid...) Show SMILES NC(=N)c1ccc(cc1)C1=NOC(CC(=O)NC[C@H](NC(=O)OCc2ccccc2)C(O)=O)C1 |t:10| Show InChI InChI=1S/C23H25N5O6/c24-21(25)16-8-6-15(7-9-16)18-10-17(34-28-18)11-20(29)26-12-19(22(30)31)27-23(32)33-13-14-4-2-1-3-5-14/h1-9,17,19H,10-13H2,(H3,24,25)(H,26,29)(H,27,32)(H,30,31)/t17?,19-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro inhibition of ADP-induced platelet aggregation in human platelet rich plasma (hPRP)				J Med Chem 40: 2064-84 (1997) Article DOI: 10.1021/jm960799i BindingDB Entry DOI: 10.7270/Q2DB82HC
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50058851 ((S)-3-{2-[3-(4-Carbamimidoyl-phenyl)-4,5-dihydro-i...) Show SMILES CC(C)COC(=O)N[C@@H](CNC(=O)CC1CC(=NO1)c1ccc(cc1)C(N)=N)C(O)=O |c:16| Show InChI InChI=1S/C20H27N5O6/c1-11(2)10-30-20(29)24-16(19(27)28)9-23-17(26)8-14-7-15(25-31-14)12-3-5-13(6-4-12)18(21)22/h3-6,11,14,16H,7-10H2,1-2H3,(H3,21,22)(H,23,26)(H,24,29)(H,27,28)/t14?,16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro inhibition of ADP-induced platelet aggregation in human platelet rich plasma (hPRP)				J Med Chem 40: 2064-84 (1997) Article DOI: 10.1021/jm960799i BindingDB Entry DOI: 10.7270/Q2DB82HC
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50058863 ((S)-3-{2-[3-(4-Carbamimidoyl-phenyl)-4,5-dihydro-i...) Show SMILES CCc1ccc(cc1)C(=O)N[C@@H](CNC(=O)CC1CC(=NO1)c1ccc(cc1)C(N)=N)C(O)=O |c:20| Show InChI InChI=1S/C24H27N5O5/c1-2-14-3-5-17(6-4-14)23(31)28-20(24(32)33)13-27-21(30)12-18-11-19(29-34-18)15-7-9-16(10-8-15)22(25)26/h3-10,18,20H,2,11-13H2,1H3,(H3,25,26)(H,27,30)(H,28,31)(H,32,33)/t18?,20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro inhibition of ADP-induced platelet aggregation in human platelet rich plasma (hPRP)				J Med Chem 40: 2064-84 (1997) Article DOI: 10.1021/jm960799i BindingDB Entry DOI: 10.7270/Q2DB82HC
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50058855 ((S)-2-Butoxycarbonylamino-3-{2-[(R)-3-(4-carbamimi...) Show SMILES CCCCOC(=O)N[C@@H](CNC(=O)C[C@H]1CC(=NO1)c1ccc(cc1)C(N)=N)C(O)=O |c:16| Show InChI InChI=1S/C20H27N5O6/c1-2-3-8-30-20(29)24-16(19(27)28)11-23-17(26)10-14-9-15(25-31-14)12-4-6-13(7-5-12)18(21)22/h4-7,14,16H,2-3,8-11H2,1H3,(H3,21,22)(H,23,26)(H,24,29)(H,27,28)/t14-,16+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibition of fibrinogen (Fg) interaction with GPIIb/IIIa in gel filtered platelets				Bioorg Med Chem Lett 9: 123-6 (1999) BindingDB Entry DOI: 10.7270/Q2P55MND
					More data for this Ligand-Target Pair				3D Structure (crystal)
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50058855 ((S)-2-Butoxycarbonylamino-3-{2-[(R)-3-(4-carbamimi...) Show SMILES CCCCOC(=O)N[C@@H](CNC(=O)C[C@H]1CC(=NO1)c1ccc(cc1)C(N)=N)C(O)=O |c:16| Show InChI InChI=1S/C20H27N5O6/c1-2-3-8-30-20(29)24-16(19(27)28)11-23-17(26)10-14-9-15(25-31-14)12-4-6-13(7-5-12)18(21)22/h4-7,14,16H,2-3,8-11H2,1H3,(H3,21,22)(H,23,26)(H,24,29)(H,27,28)/t14-,16+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro inhibition of ADP-induced platelet aggregation in human platelet rich plasma (hPRP)				J Med Chem 40: 2064-84 (1997) Article DOI: 10.1021/jm960799i BindingDB Entry DOI: 10.7270/Q2DB82HC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50058856 ((R)-3-{2-[3-(4-Carbamimidoyl-phenyl)-4,5-dihydro-i...) Show SMILES COC(=O)C[C@@H](CC(C)C)NC(=O)CC1CC(=NO1)c1ccc(cc1)C(N)=N |c:16| Show InChI InChI=1S/C20H28N4O4/c1-12(2)8-15(9-19(26)27-3)23-18(25)11-16-10-17(24-28-16)13-4-6-14(7-5-13)20(21)22/h4-7,12,15-16H,8-11H2,1-3H3,(H3,21,22)(H,23,25)/t15-,16?/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro inhibition of ADP-induced platelet aggregation in human platelet rich plasma (hPRP)				J Med Chem 40: 2064-84 (1997) Article DOI: 10.1021/jm960799i BindingDB Entry DOI: 10.7270/Q2DB82HC
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50083767 (3-({5-[4-(1H-Imidazol-2-ylamino)-butyl]-4,5-dihydr...) Show SMILES OC(=O)[C@H](CNC(=O)C1=NOC(CCCCNc2ncc[nH]2)C1)NS(=O)(=O)c1cccc2ccccc12 |t:8| Show InChI InChI=1S/C24H28N6O6S/c31-22(19-14-17(36-29-19)8-3-4-11-25-24-26-12-13-27-24)28-15-20(23(32)33)30-37(34,35)21-10-5-7-16-6-1-2-9-18(16)21/h1-2,5-7,9-10,12-13,17,20,30H,3-4,8,11,14-15H2,(H,28,31)(H,32,33)(H2,25,26,27)/t17?,20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibition of vitronectin receptor (alpha V beta 3), expressed on human 293 cells, binding to immobilized fibrinogen				J Med Chem 43: 27-40 (2000) BindingDB Entry DOI: 10.7270/Q2571B77
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50073814 (3-{2-[3-(4-Carbamimidoyl-phenyl)-4,5-dihydro-isoxa...) Show SMILES COP(=O)(NC(CNC(=O)CC1CC(=NO1)c1ccc(cc1)C(N)=N)C(O)=O)OC |c:13| Show InChI InChI=1S/C17H24N5O7P/c1-27-30(26,28-2)22-14(17(24)25)9-20-15(23)8-12-7-13(21-29-12)10-3-5-11(6-4-10)16(18)19/h3-6,12,14H,7-9H2,1-2H3,(H3,18,19)(H,20,23)(H,22,26)(H,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibition of platelet aggregation in citrated human platelet rich plasma (PRP)				Bioorg Med Chem Lett 9: 123-6 (1999) BindingDB Entry DOI: 10.7270/Q2P55MND
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50058852 ((R)-3-{2-[(R)-3-(4-Carbamimidoyl-phenyl)-4,5-dihyd...) Show SMILES CC[C@H](CC(O)=O)NC(=O)C[C@H]1CC(=NO1)c1ccc(cc1)C(N)=N |c:13| Show InChI InChI=1S/C17H22N4O4/c1-2-12(7-16(23)24)20-15(22)9-13-8-14(21-25-13)10-3-5-11(6-4-10)17(18)19/h3-6,12-13H,2,7-9H2,1H3,(H3,18,19)(H,20,22)(H,23,24)/t12-,13-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro inhibition of ADP-induced platelet aggregation in human platelet rich plasma (hPRP)				J Med Chem 40: 2064-84 (1997) Article DOI: 10.1021/jm960799i BindingDB Entry DOI: 10.7270/Q2DB82HC
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50083781 (3-({5-[4-(Pyridin-2-ylamino)-butyl]-4,5-dihydro-is...) Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](CNC(=O)C1=NOC(CCCCNc2ccccn2)C1)C(O)=O |t:19| Show InChI InChI=1S/C25H33N5O6S/c1-16-12-17(2)23(18(3)13-16)37(34,35)30-21(25(32)33)15-28-24(31)20-14-19(36-29-20)8-4-6-10-26-22-9-5-7-11-27-22/h5,7,9,11-13,19,21,30H,4,6,8,10,14-15H2,1-3H3,(H,26,27)(H,28,31)(H,32,33)/t19?,21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibition of vitronectin receptor (alpha V beta 3), expressed on human 293 cells, binding to immobilized fibrinogen				J Med Chem 43: 27-40 (2000) BindingDB Entry DOI: 10.7270/Q2571B77
					More data for this Ligand-Target Pair

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