Compile Data Set for Download or QSAR

Found 36 hits Enz. Inhib. hit(s) with all data for entry = 50008941   

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-V/beta-3 (Homo sapiens (Human))	BDBM50078697 (CHEMBL54138 | {(S)-7-[2-(1H-Imidazol-2-ylamino)-et...) Show SMILES CN1Cc2cc(ccc2N[C@@H](CC(O)=O)C1=O)C(=O)NCCNc1ncc[nH]1 Show InChI InChI=1S/C18H22N6O4/c1-24-10-12-8-11(16(27)19-4-5-20-18-21-6-7-22-18)2-3-13(12)23-14(17(24)28)9-15(25)26/h2-3,6-8,14,23H,4-5,9-10H2,1H3,(H,19,27)(H,25,26)(H2,20,21,22)/t14-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity towards human Vitronectin receptor.				Bioorg Med Chem Lett 9: 1801-6 (1999) BindingDB Entry DOI: 10.7270/Q2TT4Q4B
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50059133 (CHEMBL50106 | SB-223245 | {(S)-7-[(1H-Benzoimidazo...) Show SMILES CN(Cc1nc2ccccc2[nH]1)C(=O)c1ccc2N[C@@H](CC(O)=O)C(=O)N(C)Cc2c1 Show InChI InChI=1S/C22H23N5O4/c1-26-11-14-9-13(7-8-15(14)23-18(22(26)31)10-20(28)29)21(30)27(2)12-19-24-16-5-3-4-6-17(16)25-19/h3-9,18,23H,10-12H2,1-2H3,(H,24,25)(H,28,29)/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity towards human Vitronectin receptor.				Bioorg Med Chem Lett 9: 1801-6 (1999) BindingDB Entry DOI: 10.7270/Q2TT4Q4B
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50078710 (CHEMBL298782 | {(S)-7-[2-(6-Amino-pyridin-2-ylamin...) Show SMILES CN1Cc2cc(ccc2N[C@@H](CC(O)=O)C1=O)C(=O)NCCNc1cccc(N)n1 Show InChI InChI=1S/C20H24N6O4/c1-26-11-13-9-12(5-6-14(13)24-15(20(26)30)10-18(27)28)19(29)23-8-7-22-17-4-2-3-16(21)25-17/h2-6,9,15,24H,7-8,10-11H2,1H3,(H,23,29)(H,27,28)(H3,21,22,25)/t15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity towards human Vitronectin receptor.				Bioorg Med Chem Lett 9: 1801-6 (1999) BindingDB Entry DOI: 10.7270/Q2TT4Q4B
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50078696 (CHEMBL52026 | {(S)-7-[(2-Amino-3H-imidazol-4-ylmet...) Show SMILES CN1Cc2cc(ccc2N[C@@H](CC(O)=O)C1=O)C(=O)NCc1cnc(N)[nH]1 Show InChI InChI=1S/C17H20N6O4/c1-23-8-10-4-9(15(26)19-6-11-7-20-17(18)21-11)2-3-12(10)22-13(16(23)27)5-14(24)25/h2-4,7,13,22H,5-6,8H2,1H3,(H,19,26)(H,24,25)(H3,18,20,21)/t13-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity towards human alpha IIb beta3 integrin by [3H]-RGD peptide displacement.				Bioorg Med Chem Lett 9: 1801-6 (1999) BindingDB Entry DOI: 10.7270/Q2TT4Q4B
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50078703 (CHEMBL301760 | {(S)-4-Methyl-3-oxo-7-[2-(pyridin-2...) Show SMILES CN1Cc2cc(ccc2N[C@@H](CC(O)=O)C1=O)C(=O)NCCNc1ccccn1 Show InChI InChI=1S/C20H23N5O4/c1-25-12-14-10-13(5-6-15(14)24-16(20(25)29)11-18(26)27)19(28)23-9-8-22-17-4-2-3-7-21-17/h2-7,10,16,24H,8-9,11-12H2,1H3,(H,21,22)(H,23,28)(H,26,27)/t16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity towards human alpha IIb beta3 integrin by [3H]-RGD peptide displacement.				Bioorg Med Chem Lett 9: 1801-6 (1999) BindingDB Entry DOI: 10.7270/Q2TT4Q4B
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50078705 (CHEMBL299591 | {(S)-7-[(6-Ethylamino-pyridin-2-ylm...) Show SMILES CCNc1cccc(CNC(=O)c2ccc3N[C@@H](CC(O)=O)C(=O)N(C)Cc3c2)n1 Show InChI InChI=1S/C21H25N5O4/c1-3-22-18-6-4-5-15(24-18)11-23-20(29)13-7-8-16-14(9-13)12-26(2)21(30)17(25-16)10-19(27)28/h4-9,17,25H,3,10-12H2,1-2H3,(H,22,24)(H,23,29)(H,27,28)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity towards human Vitronectin receptor.				Bioorg Med Chem Lett 9: 1801-6 (1999) BindingDB Entry DOI: 10.7270/Q2TT4Q4B
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50078698 (CHEMBL296615 | {(S)-4-Methyl-7-[methyl-(6-methylam...) Show SMILES CNc1cccc(CN(C)C(=O)c2ccc3N[C@@H](CC(O)=O)C(=O)N(C)Cc3c2)n1 Show InChI InChI=1S/C21H25N5O4/c1-22-18-6-4-5-15(23-18)12-26(3)20(29)13-7-8-16-14(9-13)11-25(2)21(30)17(24-16)10-19(27)28/h4-9,17,24H,10-12H2,1-3H3,(H,22,23)(H,27,28)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity towards human Vitronectin receptor.				Bioorg Med Chem Lett 9: 1801-6 (1999) BindingDB Entry DOI: 10.7270/Q2TT4Q4B
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50078706 (CHEMBL52681 | {(S)-7-[(6-Amino-pyridin-2-ylmethyl)...) Show SMILES CN1Cc2cc(ccc2N[C@@H](CC(O)=O)C1=O)C(=O)NCc1cccc(N)n1 Show InChI InChI=1S/C19H21N5O4/c1-24-10-12-7-11(18(27)21-9-13-3-2-4-16(20)22-13)5-6-14(12)23-15(19(24)28)8-17(25)26/h2-7,15,23H,8-10H2,1H3,(H2,20,22)(H,21,27)(H,25,26)/t15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity towards human Vitronectin receptor.				Bioorg Med Chem Lett 9: 1801-6 (1999) BindingDB Entry DOI: 10.7270/Q2TT4Q4B
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50078704 (((S)-4-Methyl-7-{methyl-[2-(pyridin-2-ylamino)-eth...) Show SMILES CN(CCNc1ccccn1)C(=O)c1ccc2N[C@@H](CC(O)=O)C(=O)N(C)Cc2c1 Show InChI InChI=1S/C21H25N5O4/c1-25(10-9-23-18-5-3-4-8-22-18)20(29)14-6-7-16-15(11-14)13-26(2)21(30)17(24-16)12-19(27)28/h3-8,11,17,24H,9-10,12-13H2,1-2H3,(H,22,23)(H,27,28)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity towards human Vitronectin receptor.				Bioorg Med Chem Lett 9: 1801-6 (1999) BindingDB Entry DOI: 10.7270/Q2TT4Q4B
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50078712 (CHEMBL50028 | {(S)-7-[(6-Amino-pyridin-2-ylmethyl)...) Show SMILES CN(Cc1cccc(N)n1)C(=O)c1ccc2N[C@@H](CC(O)=O)C(=O)N(C)Cc2c1 Show InChI InChI=1S/C20H23N5O4/c1-24-10-13-8-12(6-7-15(13)23-16(20(24)29)9-18(26)27)19(28)25(2)11-14-4-3-5-17(21)22-14/h3-8,16,23H,9-11H2,1-2H3,(H2,21,22)(H,26,27)/t16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity towards human alpha IIb beta3 integrin by [3H]-RGD peptide displacement.				Bioorg Med Chem Lett 9: 1801-6 (1999) BindingDB Entry DOI: 10.7270/Q2TT4Q4B
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50078711 (CHEMBL50257 | {(S)-7-[2-(6-Amino-pyridin-2-yl)-eth...) Show SMILES CN1Cc2cc(ccc2N[C@@H](CC(O)=O)C1=O)C(=O)NCCc1cccc(N)n1 Show InChI InChI=1S/C20H23N5O4/c1-25-11-13-9-12(5-6-15(13)24-16(20(25)29)10-18(26)27)19(28)22-8-7-14-3-2-4-17(21)23-14/h2-6,9,16,24H,7-8,10-11H2,1H3,(H2,21,23)(H,22,28)(H,26,27)/t16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	85	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity towards human alpha IIb beta3 integrin by [3H]-RGD peptide displacement.				Bioorg Med Chem Lett 9: 1801-6 (1999) BindingDB Entry DOI: 10.7270/Q2TT4Q4B
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50078701 (CHEMBL50510 | [(S)-7-(6-Amino-pyridin-2-ylcarbamoy...) Show SMILES CN1Cc2cc(ccc2N[C@@H](CC(O)=O)C1=O)C(=O)Nc1cccc(N)n1 Show InChI InChI=1S/C18H19N5O4/c1-23-9-11-7-10(17(26)22-15-4-2-3-14(19)21-15)5-6-12(11)20-13(18(23)27)8-16(24)25/h2-7,13,20H,8-9H2,1H3,(H,24,25)(H3,19,21,22,26)/t13-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity towards human alpha IIb beta3 integrin by [3H]-RGD peptide displacement.				Bioorg Med Chem Lett 9: 1801-6 (1999) BindingDB Entry DOI: 10.7270/Q2TT4Q4B
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50078707 (CHEMBL53987 | {(S)-4-Methyl-7-[2-(6-methyl-pyridin...) Show SMILES CN1Cc2cc(ccc2N[C@@H](CC(O)=O)C1=O)C(=O)NCCNc1cccc(C)n1 Show InChI InChI=1S/C21H25N5O4/c1-13-4-3-5-18(24-13)22-8-9-23-20(29)14-6-7-16-15(10-14)12-26(2)21(30)17(25-16)11-19(27)28/h3-7,10,17,25H,8-9,11-12H2,1-2H3,(H,22,24)(H,23,29)(H,27,28)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity towards human alpha IIb beta3 integrin by [3H]-RGD peptide displacement.				Bioorg Med Chem Lett 9: 1801-6 (1999) BindingDB Entry DOI: 10.7270/Q2TT4Q4B
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50078709 (CHEMBL53985 | {(S)-7-[(3H-Imidazol-4-ylmethyl)-car...) Show SMILES CN1Cc2cc(ccc2N[C@@H](CC(O)=O)C1=O)C(=O)NCc1cnc[nH]1 Show InChI InChI=1S/C17H19N5O4/c1-22-8-11-4-10(16(25)19-7-12-6-18-9-20-12)2-3-13(11)21-14(17(22)26)5-15(23)24/h2-4,6,9,14,21H,5,7-8H2,1H3,(H,18,20)(H,19,25)(H,23,24)/t14-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity towards human alpha IIb beta3 integrin by [3H]-RGD peptide displacement.				Bioorg Med Chem Lett 9: 1801-6 (1999) BindingDB Entry DOI: 10.7270/Q2TT4Q4B
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50078696 (CHEMBL52026 | {(S)-7-[(2-Amino-3H-imidazol-4-ylmet...) Show SMILES CN1Cc2cc(ccc2N[C@@H](CC(O)=O)C1=O)C(=O)NCc1cnc(N)[nH]1 Show InChI InChI=1S/C17H20N6O4/c1-23-8-10-4-9(15(26)19-6-11-7-20-17(18)21-11)2-3-12(10)22-13(16(23)27)5-14(24)25/h2-4,7,13,22H,5-6,8H2,1H3,(H,19,26)(H,24,25)(H3,18,20,21)/t13-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity towards human Vitronectin receptor.				Bioorg Med Chem Lett 9: 1801-6 (1999) BindingDB Entry DOI: 10.7270/Q2TT4Q4B
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50078700 (CHEMBL417014 | [(S)-4-Methyl-3-oxo-7-(4-pyridin-2-...) Show SMILES CN1Cc2cc(ccc2N[C@@H](CC(O)=O)C1=O)C(=O)N1CCN(CC1)c1ccccn1 Show InChI InChI=1S/C22H25N5O4/c1-25-14-16-12-15(5-6-17(16)24-18(22(25)31)13-20(28)29)21(30)27-10-8-26(9-11-27)19-4-2-3-7-23-19/h2-7,12,18,24H,8-11,13-14H2,1H3,(H,28,29)/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity towards human alpha IIb beta3 integrin by [3H]-RGD peptide displacement.				Bioorg Med Chem Lett 9: 1801-6 (1999) BindingDB Entry DOI: 10.7270/Q2TT4Q4B
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50078707 (CHEMBL53987 | {(S)-4-Methyl-7-[2-(6-methyl-pyridin...) Show SMILES CN1Cc2cc(ccc2N[C@@H](CC(O)=O)C1=O)C(=O)NCCNc1cccc(C)n1 Show InChI InChI=1S/C21H25N5O4/c1-13-4-3-5-18(24-13)22-8-9-23-20(29)14-6-7-16-15(10-14)12-26(2)21(30)17(25-16)11-19(27)28/h3-7,10,17,25H,8-9,11-12H2,1-2H3,(H,22,24)(H,23,29)(H,27,28)/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity towards human Vitronectin receptor.				Bioorg Med Chem Lett 9: 1801-6 (1999) BindingDB Entry DOI: 10.7270/Q2TT4Q4B
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50078708 (CHEMBL53725 | {(S)-4-Methyl-3-oxo-7-[2-(pyrimidin-...) Show SMILES CN1Cc2cc(ccc2N[C@@H](CC(O)=O)C1=O)C(=O)NCCNc1ncccn1 Show InChI InChI=1S/C19H22N6O4/c1-25-11-13-9-12(3-4-14(13)24-15(18(25)29)10-16(26)27)17(28)20-7-8-23-19-21-5-2-6-22-19/h2-6,9,15,24H,7-8,10-11H2,1H3,(H,20,28)(H,26,27)(H,21,22,23)/t15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity towards human Vitronectin receptor.				Bioorg Med Chem Lett 9: 1801-6 (1999) BindingDB Entry DOI: 10.7270/Q2TT4Q4B
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50078698 (CHEMBL296615 | {(S)-4-Methyl-7-[methyl-(6-methylam...) Show SMILES CNc1cccc(CN(C)C(=O)c2ccc3N[C@@H](CC(O)=O)C(=O)N(C)Cc3c2)n1 Show InChI InChI=1S/C21H25N5O4/c1-22-18-6-4-5-15(23-18)12-26(3)20(29)13-7-8-16-14(9-13)11-25(2)21(30)17(24-16)10-19(27)28/h4-9,17,24H,10-12H2,1-3H3,(H,22,23)(H,27,28)/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.65E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity towards human alpha IIb beta3 integrin by [3H]-RGD peptide displacement.				Bioorg Med Chem Lett 9: 1801-6 (1999) BindingDB Entry DOI: 10.7270/Q2TT4Q4B
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50078710 (CHEMBL298782 | {(S)-7-[2-(6-Amino-pyridin-2-ylamin...) Show SMILES CN1Cc2cc(ccc2N[C@@H](CC(O)=O)C1=O)C(=O)NCCNc1cccc(N)n1 Show InChI InChI=1S/C20H24N6O4/c1-26-11-13-9-12(5-6-14(13)24-15(20(26)30)10-18(27)28)19(29)23-8-7-22-17-4-2-3-16(21)25-17/h2-6,9,15,24H,7-8,10-11H2,1H3,(H,23,29)(H,27,28)(H3,21,22,25)/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity towards human Vitronectin receptor.				Bioorg Med Chem Lett 9: 1801-6 (1999) BindingDB Entry DOI: 10.7270/Q2TT4Q4B
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50078702 (CHEMBL300412 | {(S)-4-Methyl-3-oxo-7-[(pyridin-2-y...) Show SMILES CN1Cc2cc(ccc2N[C@@H](CC(O)=O)C1=O)C(=O)NCc1ccccn1 Show InChI InChI=1S/C19H20N4O4/c1-23-11-13-8-12(18(26)21-10-14-4-2-3-7-20-14)5-6-15(13)22-16(19(23)27)9-17(24)25/h2-8,16,22H,9-11H2,1H3,(H,21,26)(H,24,25)/t16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity towards human alpha IIb beta3 integrin by [3H]-RGD peptide displacement.				Bioorg Med Chem Lett 9: 1801-6 (1999) BindingDB Entry DOI: 10.7270/Q2TT4Q4B
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50078706 (CHEMBL52681 | {(S)-7-[(6-Amino-pyridin-2-ylmethyl)...) Show SMILES CN1Cc2cc(ccc2N[C@@H](CC(O)=O)C1=O)C(=O)NCc1cccc(N)n1 Show InChI InChI=1S/C19H21N5O4/c1-24-10-12-7-11(18(27)21-9-13-3-2-4-16(20)22-13)5-6-14(12)23-15(19(24)28)8-17(25)26/h2-7,15,23H,8-10H2,1H3,(H2,20,22)(H,21,27)(H,25,26)/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity towards human alpha IIb beta3 integrin by [3H]-RGD peptide displacement.				Bioorg Med Chem Lett 9: 1801-6 (1999) BindingDB Entry DOI: 10.7270/Q2TT4Q4B
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50078697 (CHEMBL54138 | {(S)-7-[2-(1H-Imidazol-2-ylamino)-et...) Show SMILES CN1Cc2cc(ccc2N[C@@H](CC(O)=O)C1=O)C(=O)NCCNc1ncc[nH]1 Show InChI InChI=1S/C18H22N6O4/c1-24-10-12-8-11(16(27)19-4-5-20-18-21-6-7-22-18)2-3-13(12)23-14(17(24)28)9-15(25)26/h2-3,6-8,14,23H,4-5,9-10H2,1H3,(H,19,27)(H,25,26)(H2,20,21,22)/t14-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity towards human alpha IIb beta3 integrin by [3H]-RGD peptide displacement.				Bioorg Med Chem Lett 9: 1801-6 (1999) BindingDB Entry DOI: 10.7270/Q2TT4Q4B
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50078711 (CHEMBL50257 | {(S)-7-[2-(6-Amino-pyridin-2-yl)-eth...) Show SMILES CN1Cc2cc(ccc2N[C@@H](CC(O)=O)C1=O)C(=O)NCCc1cccc(N)n1 Show InChI InChI=1S/C20H23N5O4/c1-25-11-13-9-12(5-6-15(13)24-16(20(25)29)10-18(26)27)19(28)22-8-7-14-3-2-4-17(21)23-14/h2-6,9,16,24H,7-8,10-11H2,1H3,(H2,21,23)(H,22,28)(H,26,27)/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity towards human alpha IIb beta3 integrin by [3H]-RGD peptide displacement.				Bioorg Med Chem Lett 9: 1801-6 (1999) BindingDB Entry DOI: 10.7270/Q2TT4Q4B
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50078709 (CHEMBL53985 | {(S)-7-[(3H-Imidazol-4-ylmethyl)-car...) Show SMILES CN1Cc2cc(ccc2N[C@@H](CC(O)=O)C1=O)C(=O)NCc1cnc[nH]1 Show InChI InChI=1S/C17H19N5O4/c1-22-8-11-4-10(16(25)19-7-12-6-18-9-20-12)2-3-13(11)21-14(17(22)26)5-15(23)24/h2-4,6,9,14,21H,5,7-8H2,1H3,(H,18,20)(H,19,25)(H,23,24)/t14-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity towards human Vitronectin receptor.				Bioorg Med Chem Lett 9: 1801-6 (1999) BindingDB Entry DOI: 10.7270/Q2TT4Q4B
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50078705 (CHEMBL299591 | {(S)-7-[(6-Ethylamino-pyridin-2-ylm...) Show SMILES CCNc1cccc(CNC(=O)c2ccc3N[C@@H](CC(O)=O)C(=O)N(C)Cc3c2)n1 Show InChI InChI=1S/C21H25N5O4/c1-3-22-18-6-4-5-15(24-18)11-23-20(29)13-7-8-16-14(9-13)12-26(2)21(30)17(25-16)10-19(27)28/h4-9,17,25H,3,10-12H2,1-2H3,(H,22,24)(H,23,29)(H,27,28)/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity towards human alpha IIb beta3 integrin by [3H]-RGD peptide displacement.				Bioorg Med Chem Lett 9: 1801-6 (1999) BindingDB Entry DOI: 10.7270/Q2TT4Q4B
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50078704 (((S)-4-Methyl-7-{methyl-[2-(pyridin-2-ylamino)-eth...) Show SMILES CN(CCNc1ccccn1)C(=O)c1ccc2N[C@@H](CC(O)=O)C(=O)N(C)Cc2c1 Show InChI InChI=1S/C21H25N5O4/c1-25(10-9-23-18-5-3-4-8-22-18)20(29)14-6-7-16-15(11-14)13-26(2)21(30)17(24-16)12-19(27)28/h3-8,11,17,24H,9-10,12-13H2,1-2H3,(H,22,23)(H,27,28)/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity towards human alpha IIb beta3 integrin by [3H]-RGD peptide displacement.				Bioorg Med Chem Lett 9: 1801-6 (1999) BindingDB Entry DOI: 10.7270/Q2TT4Q4B
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50078699 (CHEMBL50075 | [(S)-4-Methyl-3-oxo-7-(2-phenylamino...) Show SMILES CN1Cc2cc(ccc2N[C@@H](CC(O)=O)C1=O)C(=O)NCCNc1ccccc1 Show InChI InChI=1S/C21H24N4O4/c1-25-13-15-11-14(7-8-17(15)24-18(21(25)29)12-19(26)27)20(28)23-10-9-22-16-5-3-2-4-6-16/h2-8,11,18,22,24H,9-10,12-13H2,1H3,(H,23,28)(H,26,27)/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity towards human alpha IIb beta3 integrin by [3H]-RGD peptide displacement.				Bioorg Med Chem Lett 9: 1801-6 (1999) BindingDB Entry DOI: 10.7270/Q2TT4Q4B
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50078703 (CHEMBL301760 | {(S)-4-Methyl-3-oxo-7-[2-(pyridin-2...) Show SMILES CN1Cc2cc(ccc2N[C@@H](CC(O)=O)C1=O)C(=O)NCCNc1ccccn1 Show InChI InChI=1S/C20H23N5O4/c1-25-12-14-10-13(5-6-15(14)24-16(20(25)29)11-18(26)27)19(28)23-9-8-22-17-4-2-3-7-21-17/h2-7,10,16,24H,8-9,11-12H2,1H3,(H,21,22)(H,23,28)(H,26,27)/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity towards human Vitronectin receptor.				Bioorg Med Chem Lett 9: 1801-6 (1999) BindingDB Entry DOI: 10.7270/Q2TT4Q4B
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50059133 (CHEMBL50106 | SB-223245 | {(S)-7-[(1H-Benzoimidazo...) Show SMILES CN(Cc1nc2ccccc2[nH]1)C(=O)c1ccc2N[C@@H](CC(O)=O)C(=O)N(C)Cc2c1 Show InChI InChI=1S/C22H23N5O4/c1-26-11-14-9-13(7-8-15(14)23-18(22(26)31)10-20(28)29)21(30)27(2)12-19-24-16-5-3-4-6-17(16)25-19/h3-9,18,23H,10-12H2,1-2H3,(H,24,25)(H,28,29)/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity towards human Vitronectin receptor.				Bioorg Med Chem Lett 9: 1801-6 (1999) BindingDB Entry DOI: 10.7270/Q2TT4Q4B
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50078712 (CHEMBL50028 | {(S)-7-[(6-Amino-pyridin-2-ylmethyl)...) Show SMILES CN(Cc1cccc(N)n1)C(=O)c1ccc2N[C@@H](CC(O)=O)C(=O)N(C)Cc2c1 Show InChI InChI=1S/C20H23N5O4/c1-24-10-13-8-12(6-7-15(13)23-16(20(24)29)9-18(26)27)19(28)25(2)11-14-4-3-5-17(21)22-14/h3-8,16,23H,9-11H2,1-2H3,(H2,21,22)(H,26,27)/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity towards human Vitronectin receptor.				Bioorg Med Chem Lett 9: 1801-6 (1999) BindingDB Entry DOI: 10.7270/Q2TT4Q4B
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50078700 (CHEMBL417014 | [(S)-4-Methyl-3-oxo-7-(4-pyridin-2-...) Show SMILES CN1Cc2cc(ccc2N[C@@H](CC(O)=O)C1=O)C(=O)N1CCN(CC1)c1ccccn1 Show InChI InChI=1S/C22H25N5O4/c1-25-14-16-12-15(5-6-17(16)24-18(22(25)31)13-20(28)29)21(30)27-10-8-26(9-11-27)19-4-2-3-7-23-19/h2-7,12,18,24H,8-11,13-14H2,1H3,(H,28,29)/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.05E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity towards human Vitronectin receptor.				Bioorg Med Chem Lett 9: 1801-6 (1999) BindingDB Entry DOI: 10.7270/Q2TT4Q4B
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50078702 (CHEMBL300412 | {(S)-4-Methyl-3-oxo-7-[(pyridin-2-y...) Show SMILES CN1Cc2cc(ccc2N[C@@H](CC(O)=O)C1=O)C(=O)NCc1ccccn1 Show InChI InChI=1S/C19H20N4O4/c1-23-11-13-8-12(18(26)21-10-14-4-2-3-7-20-14)5-6-15(13)22-16(19(23)27)9-17(24)25/h2-8,16,22H,9-11H2,1H3,(H,21,26)(H,24,25)/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.15E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity towards human alpha IIb beta3 integrin by [3H]-RGD peptide displacement.				Bioorg Med Chem Lett 9: 1801-6 (1999) BindingDB Entry DOI: 10.7270/Q2TT4Q4B
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50078699 (CHEMBL50075 | [(S)-4-Methyl-3-oxo-7-(2-phenylamino...) Show SMILES CN1Cc2cc(ccc2N[C@@H](CC(O)=O)C1=O)C(=O)NCCNc1ccccc1 Show InChI InChI=1S/C21H24N4O4/c1-25-13-15-11-14(7-8-17(15)24-18(21(25)29)12-19(26)27)20(28)23-10-9-22-16-5-3-2-4-6-16/h2-8,11,18,22,24H,9-10,12-13H2,1H3,(H,23,28)(H,26,27)/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity towards human Vitronectin receptor.				Bioorg Med Chem Lett 9: 1801-6 (1999) BindingDB Entry DOI: 10.7270/Q2TT4Q4B
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50078708 (CHEMBL53725 | {(S)-4-Methyl-3-oxo-7-[2-(pyrimidin-...) Show SMILES CN1Cc2cc(ccc2N[C@@H](CC(O)=O)C1=O)C(=O)NCCNc1ncccn1 Show InChI InChI=1S/C19H22N6O4/c1-25-11-13-9-12(3-4-14(13)24-15(18(25)29)10-16(26)27)17(28)20-7-8-23-19-21-5-2-6-22-19/h2-6,9,15,24H,7-8,10-11H2,1H3,(H,20,28)(H,26,27)(H,21,22,23)/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity towards human alpha IIb beta3 integrin by [3H]-RGD peptide displacement.				Bioorg Med Chem Lett 9: 1801-6 (1999) BindingDB Entry DOI: 10.7270/Q2TT4Q4B
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50078701 (CHEMBL50510 | [(S)-7-(6-Amino-pyridin-2-ylcarbamoy...) Show SMILES CN1Cc2cc(ccc2N[C@@H](CC(O)=O)C1=O)C(=O)Nc1cccc(N)n1 Show InChI InChI=1S/C18H19N5O4/c1-23-9-11-7-10(17(26)22-15-4-2-3-14(19)21-15)5-6-12(11)20-13(18(23)27)8-16(24)25/h2-7,13,20H,8-9H2,1H3,(H,24,25)(H3,19,21,22,26)/t13-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.60E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity towards human Vitronectin receptor.				Bioorg Med Chem Lett 9: 1801-6 (1999) BindingDB Entry DOI: 10.7270/Q2TT4Q4B
					More data for this Ligand-Target Pair