Compile Data Set for Download or QSAR

Found 49 hits Enz. Inhib. hit(s) with all data for entry = 50013228   

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))	BDBM50127944 ((S)-3-Benzo[1,3]dioxol-5-yl-3-(2-{6-cyclopropyl-2-...) Show SMILES OC(=O)C[C@H](NC(=O)Cn1c(cnc(NCc2ccc3CCCNc3n2)c1=O)C1CC1)c1ccc2OCOc2c1 Show InChI InChI=1S/C28H30N6O6/c35-24(33-20(11-25(36)37)18-6-8-22-23(10-18)40-15-39-22)14-34-21(16-3-4-16)13-31-27(28(34)38)30-12-19-7-5-17-2-1-9-29-26(17)32-19/h5-8,10,13,16,20H,1-4,9,11-12,14-15H2,(H,29,32)(H,30,31)(H,33,35)(H,36,37)/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Ability to bind to the Alpha 2 Beta 3 integrin expressed as inhibitory concentration against ADP-stimulated aggregation of human gel-filtered platele...				Bioorg Med Chem Lett 13: 1809-12 (2003) BindingDB Entry DOI: 10.7270/Q2CJ8CVB
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50127947 ((S)-3-(2-{6-Cyclopropyl-2-oxo-3-[(5,6,7,8-tetrahyd...) Show SMILES OC(=O)C[C@H](NC(=O)Cn1c(ccc(NCc2ccc3CCCNc3n2)c1=O)C1CC1)c1ccc2CCOc2c1 Show InChI InChI=1S/C30H33N5O5/c36-27(34-24(15-28(37)38)21-6-5-19-11-13-40-26(19)14-21)17-35-25(18-3-4-18)10-9-23(30(35)39)32-16-22-8-7-20-2-1-12-31-29(20)33-22/h5-10,14,18,24,32H,1-4,11-13,15-17H2,(H,31,33)(H,34,36)(H,37,38)/t24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against human alpha V beta3 receptor using SPAV3 assay				Bioorg Med Chem Lett 13: 1809-12 (2003) BindingDB Entry DOI: 10.7270/Q2CJ8CVB
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50127938 (3-(2-{6-Cyclopropyl-2-oxo-3-[(5,6,7,8-tetrahydro-[...) Show SMILES OC(=O)C[C@H](NC(=O)Cn1c(ccc(NCc2ccc3CCCNc3n2)c1=O)C1CC1)c1cccnc1 Show InChI InChI=1S/C27H30N6O4/c34-24(32-22(13-25(35)36)19-4-1-11-28-14-19)16-33-23(17-5-6-17)10-9-21(27(33)37)30-15-20-8-7-18-3-2-12-29-26(18)31-20/h1,4,7-11,14,17,22,30H,2-3,5-6,12-13,15-16H2,(H,29,31)(H,32,34)(H,35,36)/t22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Ability to bind to the Alpha 2 Beta 3 integrin expressed as inhibitory concentration against ADP-stimulated aggregation of human gel-filtered platele...				Bioorg Med Chem Lett 13: 1809-12 (2003) BindingDB Entry DOI: 10.7270/Q2CJ8CVB
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50127940 ((S)-3-(2-{6-Cyclopropyl-2-oxo-3-[(5,6,7,8-tetrahyd...) Show SMILES OC(=O)C[C@H](NC(=O)Cn1c(cnc(NCc2ccc3CCCNc3n2)c1=O)C1CC1)c1cccnc1 Show InChI InChI=1S/C26H29N7O4/c34-22(32-20(11-23(35)36)18-4-1-9-27-12-18)15-33-21(16-5-6-16)14-30-25(26(33)37)29-13-19-8-7-17-3-2-10-28-24(17)31-19/h1,4,7-9,12,14,16,20H,2-3,5-6,10-11,13,15H2,(H,28,31)(H,29,30)(H,32,34)(H,35,36)/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against human alpha V beta3 receptor using SPAV3 assay				Bioorg Med Chem Lett 13: 1809-12 (2003) BindingDB Entry DOI: 10.7270/Q2CJ8CVB
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50127939 ((S)-3-(2-{5-Chloro-6-cyclopropyl-2-oxo-3-[(5,6,7,8...) Show SMILES OC(=O)C[C@H](NC(=O)Cn1c(C2CC2)c(Cl)nc(NCc2ccc3CCCNc3n2)c1=O)c1ccc2CCOc2c1 Show InChI InChI=1S/C29H31ClN6O5/c30-26-25(17-4-5-17)36(29(40)28(35-26)32-14-20-8-7-18-2-1-10-31-27(18)33-20)15-23(37)34-21(13-24(38)39)19-6-3-16-9-11-41-22(16)12-19/h3,6-8,12,17,21H,1-2,4-5,9-11,13-15H2,(H,31,33)(H,32,35)(H,34,37)(H,38,39)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Ability to bind to the Alpha 2 Beta 3 integrin expressed as inhibitory concentration against ADP-stimulated aggregation of human gel-filtered platele...				Bioorg Med Chem Lett 13: 1809-12 (2003) BindingDB Entry DOI: 10.7270/Q2CJ8CVB
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50127943 ((S)-3-(2-{5-Chloro-6-cyclopropyl-2-oxo-3-[(5,6,7,8...) Show SMILES OC(=O)C[C@H](NC(=O)Cn1c(C2CC2)c(Cl)nc(NCc2ccc3CCCNc3n2)c1=O)c1cccnc1 Show InChI InChI=1S/C26H28ClN7O4/c27-23-22(15-5-6-15)34(14-20(35)32-19(11-21(36)37)17-4-1-9-28-12-17)26(38)25(33-23)30-13-18-8-7-16-3-2-10-29-24(16)31-18/h1,4,7-9,12,15,19H,2-3,5-6,10-11,13-14H2,(H,29,31)(H,30,33)(H,32,35)(H,36,37)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Ability to bind to the alpha IIb beta3 integrin expressed as inhibitory concentration against ADP-stimulated aggregation of human gel-filtered platel...				Bioorg Med Chem Lett 13: 1809-12 (2003) BindingDB Entry DOI: 10.7270/Q2CJ8CVB
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50107397 ((S)-3-(2-{(S)-2-Oxo-3-[2-(5,6,7,8-tetrahydro-[1,8]...) Show SMILES OC(=O)C[C@H](NC(=O)CN1CC[C@H](CCc2ccc3CCCNc3n2)C1=O)c1cccnc1 Show InChI InChI=1S/C24H29N5O4/c30-21(28-20(13-22(31)32)18-4-1-10-25-14-18)15-29-12-9-17(24(29)33)6-8-19-7-5-16-3-2-11-26-23(16)27-19/h1,4-5,7,10,14,17,20H,2-3,6,8-9,11-13,15H2,(H,26,27)(H,28,30)(H,31,32)/t17-,20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Ability to bind to the Alpha 2 Beta 3 integrin expressed as inhibitory concentration against ADP-stimulated aggregation of human gel-filtered platele...				Bioorg Med Chem Lett 13: 1809-12 (2003) BindingDB Entry DOI: 10.7270/Q2CJ8CVB
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50127951 ((S)-3-(2-{5-Chloro-6-cyclopropyl-2-oxo-3-[(5,6,7,8...) Show SMILES OC(=O)C[C@H](NC(=O)Cn1c(C2CC2)c(Cl)nc(NCc2ccc3CCCNc3n2)c1=O)c1cnc2ccccc2c1 Show InChI InChI=1S/C30H30ClN7O4/c31-27-26(17-7-8-17)38(30(42)29(37-27)34-15-21-10-9-18-5-3-11-32-28(18)35-21)16-24(39)36-23(13-25(40)41)20-12-19-4-1-2-6-22(19)33-14-20/h1-2,4,6,9-10,12,14,17,23H,3,5,7-8,11,13,15-16H2,(H,32,35)(H,34,37)(H,36,39)(H,40,41)/t23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against human alpha V beta3 receptor using SPAV3 assay				Bioorg Med Chem Lett 13: 1809-12 (2003) BindingDB Entry DOI: 10.7270/Q2CJ8CVB
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50127950 (3-(2-{6-Methyl-2-oxo-3-[(5,6,7,8-tetrahydro-[1,8]n...) Show SMILES Cc1cnc(NCc2ccc3CCCNc3n2)c(=O)n1CC(=O)N[C@@H](CC(O)=O)c1cccnc1 Show InChI InChI=1S/C24H27N7O4/c1-15-11-27-23(28-13-18-7-6-16-4-3-9-26-22(16)29-18)24(35)31(15)14-20(32)30-19(10-21(33)34)17-5-2-8-25-12-17/h2,5-8,11-12,19H,3-4,9-10,13-14H2,1H3,(H,26,29)(H,27,28)(H,30,32)(H,33,34)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against human alpha V beta3 receptor using SPAV3 assay				Bioorg Med Chem Lett 13: 1809-12 (2003) BindingDB Entry DOI: 10.7270/Q2CJ8CVB
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50127956 ((S)-3-(2-{6-Cyclopropyl-2-oxo-3-[(5,6,7,8-tetrahyd...) Show SMILES OC(=O)C[C@H](NC(=O)Cn1c(ccc(NCc2ccc3CCCNc3n2)c1=O)C1CC1)c1cccc(F)c1 Show InChI InChI=1S/C28H30FN5O4/c29-20-5-1-3-19(13-20)23(14-26(36)37)33-25(35)16-34-24(17-6-7-17)11-10-22(28(34)38)31-15-21-9-8-18-4-2-12-30-27(18)32-21/h1,3,5,8-11,13,17,23,31H,2,4,6-7,12,14-16H2,(H,30,32)(H,33,35)(H,36,37)/t23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against human alphaV-beta3 integrin using SPAV3 assay				Bioorg Med Chem Lett 13: 1809-12 (2003) BindingDB Entry DOI: 10.7270/Q2CJ8CVB
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50127942 (3-(2-{6-Methyl-2-oxo-3-[(5,6,7,8-tetrahydro-[1,8]n...) Show SMILES Cc1ccc(NCc2ccc3CCCNc3n2)c(=O)n1CC(=O)N[C@@H](CC(O)=O)c1cccnc1 Show InChI InChI=1S/C25H28N6O4/c1-16-6-9-20(28-14-19-8-7-17-4-3-11-27-24(17)29-19)25(35)31(16)15-22(32)30-21(12-23(33)34)18-5-2-10-26-13-18/h2,5-10,13,21,28H,3-4,11-12,14-15H2,1H3,(H,27,29)(H,30,32)(H,33,34)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against human alpha V beta3 receptor using SPAV3 assay				Bioorg Med Chem Lett 13: 1809-12 (2003) BindingDB Entry DOI: 10.7270/Q2CJ8CVB
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50127957 ((S)-3-(3-Fluoro-phenyl)-3-(2-{6-methyl-2-oxo-3-[(5...) Show SMILES Cc1cnc(NCc2ccc3CCCNc3n2)c(=O)n1CC(=O)N[C@@H](CC(O)=O)c1cccc(F)c1 Show InChI InChI=1S/C25H27FN6O4/c1-15-12-28-24(29-13-19-8-7-16-5-3-9-27-23(16)30-19)25(36)32(15)14-21(33)31-20(11-22(34)35)17-4-2-6-18(26)10-17/h2,4,6-8,10,12,20H,3,5,9,11,13-14H2,1H3,(H,27,30)(H,28,29)(H,31,33)(H,34,35)/t20-/m0/s1	PDB UniProtKB/SwissProt 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
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against human alpha V beta3 receptor using SPAV3 assay				Bioorg Med Chem Lett 13: 1809-12 (2003) BindingDB Entry DOI: 10.7270/Q2CJ8CVB
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50107403 ((S)-3-(2-{2-Oxo-3-[2-(5,6,7,8-tetrahydro-[1,8]naph...) Show SMILES OC(=O)C[C@H](NC(=O)CN1CCCC(CCc2ccc3CCCNc3n2)C1=O)c1cccnc1 Show InChI InChI=1S/C25H31N5O4/c31-22(29-21(14-23(32)33)19-5-1-11-26-15-19)16-30-13-3-6-18(25(30)34)8-10-20-9-7-17-4-2-12-27-24(17)28-20/h1,5,7,9,11,15,18,21H,2-4,6,8,10,12-14,16H2,(H,27,28)(H,29,31)(H,32,33)/t18?,21-/m0/s1	PDB UniProtKB/SwissProt 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
Merck Research Laboratories Curated by ChEMBL					Assay Description Ability to bind to the Alpha 2 Beta 3 integrin expressed as inhibitory concentration against ADP-stimulated aggregation of human gel-filtered platele...				Bioorg Med Chem Lett 13: 1809-12 (2003) BindingDB Entry DOI: 10.7270/Q2CJ8CVB
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50107404 ((S)-3-Pyridin-3-yl-3-[2-(4-5,6,7,8-tetrahydro-[1,8...) Show SMILES OC(=O)C[C@H](NC(=O)CNC(=O)CCCc1ccc2CCCNc2n1)c1cccnc1 Show InChI InChI=1S/C22H27N5O4/c28-19(7-1-6-17-9-8-15-4-3-11-24-22(15)26-17)25-14-20(29)27-18(12-21(30)31)16-5-2-10-23-13-16/h2,5,8-10,13,18H,1,3-4,6-7,11-12,14H2,(H,24,26)(H,25,28)(H,27,29)(H,30,31)/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Ability to bind to the alpha IIb beta3 integrin expressed as inhibitory concentration against ADP-stimulated aggregation of human gel-filtered platel...				Bioorg Med Chem Lett 13: 1809-12 (2003) BindingDB Entry DOI: 10.7270/Q2CJ8CVB
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50127958 ((S)-3-(2-{6-Cyclopropyl-2-oxo-3-[(5,6,7,8-tetrahyd...) Show SMILES OC(=O)C[C@H](NC(=O)Cn1c(cnc(NCc2ccc3CCCNc3n2)c1=O)C1CC1)c1cccc(F)c1 Show InChI InChI=1S/C27H29FN6O4/c28-19-5-1-3-18(11-19)21(12-24(36)37)33-23(35)15-34-22(16-6-7-16)14-31-26(27(34)38)30-13-20-9-8-17-4-2-10-29-25(17)32-20/h1,3,5,8-9,11,14,16,21H,2,4,6-7,10,12-13,15H2,(H,29,32)(H,30,31)(H,33,35)(H,36,37)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against human alphaV-beta3 integrin using SPAV3 assay				Bioorg Med Chem Lett 13: 1809-12 (2003) BindingDB Entry DOI: 10.7270/Q2CJ8CVB
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50127955 (3-(2-{2-Oxo-6-propyl-3-[(5,6,7,8-tetrahydro-[1,8]n...) Show SMILES CCCc1ccc(NCc2ccc3CCCNc3n2)c(=O)n1CC(=O)N[C@@H](CC(O)=O)c1cccnc1 Show InChI InChI=1S/C27H32N6O4/c1-2-5-21-10-11-22(30-16-20-9-8-18-6-4-13-29-26(18)31-20)27(37)33(21)17-24(34)32-23(14-25(35)36)19-7-3-12-28-15-19/h3,7-12,15,23,30H,2,4-6,13-14,16-17H2,1H3,(H,29,31)(H,32,34)(H,35,36)/t23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against human alpha V beta3 receptor using SPAV3 assay				Bioorg Med Chem Lett 13: 1809-12 (2003) BindingDB Entry DOI: 10.7270/Q2CJ8CVB
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50127946 (3-(2-{2-Oxo-3-[(5,6,7,8-tetrahydro-[1,8]naphthyrid...) Show SMILES OC(=O)C[C@H](NC(=O)Cn1cccc(NCc2ccc3CCCNc3n2)c1=O)c1cccnc1 Show InChI InChI=1S/C24H26N6O4/c31-21(29-20(12-22(32)33)17-5-1-9-25-13-17)15-30-11-3-6-19(24(30)34)27-14-18-8-7-16-4-2-10-26-23(16)28-18/h1,3,5-9,11,13,20,27H,2,4,10,12,14-15H2,(H,26,28)(H,29,31)(H,32,33)/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against human alpha V beta3 receptor using SPAV3 assay				Bioorg Med Chem Lett 13: 1809-12 (2003) BindingDB Entry DOI: 10.7270/Q2CJ8CVB
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50127941 ((S)-3-(2-{6-Ethyl-2-oxo-3-[(5,6,7,8-tetrahydro-[1,...) Show SMILES CCc1cnc(NCc2ccc3CCCNc3n2)c(=O)n1CC(=O)N[C@@H](CC(O)=O)c1cccc(F)c1 Show InChI InChI=1S/C26H29FN6O4/c1-2-20-14-30-25(29-13-19-9-8-16-6-4-10-28-24(16)31-19)26(37)33(20)15-22(34)32-21(12-23(35)36)17-5-3-7-18(27)11-17/h3,5,7-9,11,14,21H,2,4,6,10,12-13,15H2,1H3,(H,28,31)(H,29,30)(H,32,34)(H,35,36)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Ability to bind to the Alpha 2 Beta 3 integrin expressed as inhibitory concentration against ADP-stimulated aggregation of human gel-filtered platele...				Bioorg Med Chem Lett 13: 1809-12 (2003) BindingDB Entry DOI: 10.7270/Q2CJ8CVB
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50127952 ((S)-3-(2-{5-Chloro-6-methyl-2-oxo-3-[(5,6,7,8-tetr...) Show SMILES Cc1c(Cl)nc(NCc2ccc3CCCNc3n2)c(=O)n1CC(=O)N[C@@H](CC(O)=O)c1cccc(F)c1 Show InChI InChI=1S/C25H26ClFN6O4/c1-14-22(26)32-24(29-12-18-8-7-15-5-3-9-28-23(15)30-18)25(37)33(14)13-20(34)31-19(11-21(35)36)16-4-2-6-17(27)10-16/h2,4,6-8,10,19H,3,5,9,11-13H2,1H3,(H,28,30)(H,29,32)(H,31,34)(H,35,36)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Ability to bind to the alpha IIb beta3 integrin expressed as inhibitory concentration against ADP-stimulated aggregation of human gel-filtered platel...				Bioorg Med Chem Lett 13: 1809-12 (2003) BindingDB Entry DOI: 10.7270/Q2CJ8CVB
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50127948 ((S)-3-(2-{5-Chloro-6-cyclopropyl-2-oxo-3-[(5,6,7,8...) Show SMILES OC(=O)C[C@H](NC(=O)Cn1c(C2CC2)c(Cl)nc(NCc2ccc3CCCNc3n2)c1=O)c1cccc(F)c1 Show InChI InChI=1S/C27H28ClFN6O4/c28-24-23(15-6-7-15)35(14-21(36)33-20(12-22(37)38)17-3-1-5-18(29)11-17)27(39)26(34-24)31-13-19-9-8-16-4-2-10-30-25(16)32-19/h1,3,5,8-9,11,15,20H,2,4,6-7,10,12-14H2,(H,30,32)(H,31,34)(H,33,36)(H,37,38)/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against human alphaV-beta3 integrin using SPAV3 assay				Bioorg Med Chem Lett 13: 1809-12 (2003) BindingDB Entry DOI: 10.7270/Q2CJ8CVB
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50127954 ((S)-3-(2-{6-Cyclopropyl-2-oxo-3-[(5,6,7,8-tetrahyd...) Show SMILES OC(=O)C[C@H](NC(=O)Cn1c(ccc(NCc2ccc3CCCNc3n2)c1=O)C1CC1)C#C Show InChI InChI=1S/C24H27N5O4/c1-2-17(12-22(31)32)27-21(30)14-29-20(15-5-6-15)10-9-19(24(29)33)26-13-18-8-7-16-4-3-11-25-23(16)28-18/h1,7-10,15,17,26H,3-6,11-14H2,(H,25,28)(H,27,30)(H,31,32)/t17-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Ability to bind to the alpha IIb beta3 integrin expressed as inhibitory concentration against ADP-stimulated aggregation of human gel-filtered platel...				Bioorg Med Chem Lett 13: 1809-12 (2003) BindingDB Entry DOI: 10.7270/Q2CJ8CVB
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50127953 ((S)-3-(2-{5-Chloro-6-ethyl-2-oxo-3-[(5,6,7,8-tetra...) Show SMILES CCc1c(Cl)nc(NCc2ccc3CCCNc3n2)c(=O)n1CC(=O)N[C@@H](CC(O)=O)c1cccc(F)c1 Show InChI InChI=1S/C26H28ClFN6O4/c1-2-20-23(27)33-25(30-13-18-9-8-15-6-4-10-29-24(15)31-18)26(38)34(20)14-21(35)32-19(12-22(36)37)16-5-3-7-17(28)11-16/h3,5,7-9,11,19H,2,4,6,10,12-14H2,1H3,(H,29,31)(H,30,33)(H,32,35)(H,36,37)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against human alpha V beta3 receptor using SPAV3 assay				Bioorg Med Chem Lett 13: 1809-12 (2003) BindingDB Entry DOI: 10.7270/Q2CJ8CVB
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50127937 (3-(S)-Pyridin-3-yl-3-(2-{3-[2-(5,6,7,8-tetrahydro-...) Show SMILES OC(=O)C[C@H](NC(=O)Cc1cccc(CCc2ccc3CCCNc3n2)c1)c1cccnc1 Show InChI InChI=1S/C26H28N4O3/c31-24(30-23(16-25(32)33)21-7-2-12-27-17-21)15-19-5-1-4-18(14-19)8-10-22-11-9-20-6-3-13-28-26(20)29-22/h1-2,4-5,7,9,11-12,14,17,23H,3,6,8,10,13,15-16H2,(H,28,29)(H,30,31)(H,32,33)/t23-/m0/s1	PDB UniProtKB/SwissProt 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
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against human alpha V beta3 receptor using SPAV3 assay				Bioorg Med Chem Lett 13: 1809-12 (2003) BindingDB Entry DOI: 10.7270/Q2CJ8CVB
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50127945 ((S)-3-(2-{5-Chloro-2-oxo-6-phenyl-3-[(5,6,7,8-tetr...) Show SMILES OC(=O)C[C@H](NC(=O)Cn1c(c(Cl)nc(NCc2ccc3CCCNc3n2)c1=O)-c1ccccc1)c1cccc(F)c1 Show InChI InChI=1S/C30H28ClFN6O4/c31-27-26(18-6-2-1-3-7-18)38(17-24(39)36-23(15-25(40)41)20-8-4-10-21(32)14-20)30(42)29(37-27)34-16-22-12-11-19-9-5-13-33-28(19)35-22/h1-4,6-8,10-12,14,23H,5,9,13,15-17H2,(H,33,35)(H,34,37)(H,36,39)(H,40,41)/t23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	112	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against human alphaV-beta3 integrin using SPAV3 assay				Bioorg Med Chem Lett 13: 1809-12 (2003) BindingDB Entry DOI: 10.7270/Q2CJ8CVB
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50127949 (3-(S)-Pyridin-3-yl-3-(2-{5-[2-(5,6,7,8-tetrahydro-...) Show SMILES OC(=O)C[C@H](NC(=O)Cc1ccc(CCc2ccc3CCCNc3n2)s1)c1cccnc1 Show InChI InChI=1S/C24H26N4O3S/c29-22(28-21(14-23(30)31)17-4-1-11-25-15-17)13-20-10-9-19(32-20)8-7-18-6-5-16-3-2-12-26-24(16)27-18/h1,4-6,9-11,15,21H,2-3,7-8,12-14H2,(H,26,27)(H,28,29)(H,30,31)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	246	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Ability to bind to the alpha IIb beta3 integrin expressed as inhibitory concentration against ADP-stimulated aggregation of human gel-filtered platel...				Bioorg Med Chem Lett 13: 1809-12 (2003) BindingDB Entry DOI: 10.7270/Q2CJ8CVB
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50127956 ((S)-3-(2-{6-Cyclopropyl-2-oxo-3-[(5,6,7,8-tetrahyd...) Show SMILES OC(=O)C[C@H](NC(=O)Cn1c(ccc(NCc2ccc3CCCNc3n2)c1=O)C1CC1)c1cccc(F)c1 Show InChI InChI=1S/C28H30FN5O4/c29-20-5-1-3-19(13-20)23(14-26(36)37)33-25(35)16-34-24(17-6-7-17)11-10-22(28(34)38)31-15-21-9-8-18-4-2-12-30-27(18)32-21/h1,3,5,8-11,13,17,23,31H,2,4,6-7,12,14-16H2,(H,30,32)(H,33,35)(H,36,37)/t23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Ability to bind to the alpha IIb beta3 integrin expressed as inhibitory concentration against ADP-stimulated aggregation of human gel-filtered platel...				Bioorg Med Chem Lett 13: 1809-12 (2003) BindingDB Entry DOI: 10.7270/Q2CJ8CVB
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50127958 ((S)-3-(2-{6-Cyclopropyl-2-oxo-3-[(5,6,7,8-tetrahyd...) Show SMILES OC(=O)C[C@H](NC(=O)Cn1c(cnc(NCc2ccc3CCCNc3n2)c1=O)C1CC1)c1cccc(F)c1 Show InChI InChI=1S/C27H29FN6O4/c28-19-5-1-3-18(11-19)21(12-24(36)37)33-23(35)15-34-22(16-6-7-16)14-31-26(27(34)38)30-13-20-9-8-17-4-2-10-29-25(17)32-20/h1,3,5,8-9,11,14,16,21H,2,4,6-7,10,12-13,15H2,(H,29,32)(H,30,31)(H,33,35)(H,36,37)/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Ability to bind to the Alpha 2 Beta 3 integrin expressed as inhibitory concentration against ADP-stimulated aggregation of human gel-filtered platele...				Bioorg Med Chem Lett 13: 1809-12 (2003) BindingDB Entry DOI: 10.7270/Q2CJ8CVB
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50127937 (3-(S)-Pyridin-3-yl-3-(2-{3-[2-(5,6,7,8-tetrahydro-...) Show SMILES OC(=O)C[C@H](NC(=O)Cc1cccc(CCc2ccc3CCCNc3n2)c1)c1cccnc1 Show InChI InChI=1S/C26H28N4O3/c31-24(30-23(16-25(32)33)21-7-2-12-27-17-21)15-19-5-1-4-18(14-19)8-10-22-11-9-20-6-3-13-28-26(20)29-22/h1-2,4-5,7,9,11-12,14,17,23H,3,6,8,10,13,15-16H2,(H,28,29)(H,30,31)(H,32,33)/t23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Ability to bind to the Alpha 2 Beta 3 integrin expressed as inhibitory concentration against ADP-stimulated aggregation of human gel-filtered platele...				Bioorg Med Chem Lett 13: 1809-12 (2003) BindingDB Entry DOI: 10.7270/Q2CJ8CVB
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50127947 ((S)-3-(2-{6-Cyclopropyl-2-oxo-3-[(5,6,7,8-tetrahyd...) Show SMILES OC(=O)C[C@H](NC(=O)Cn1c(ccc(NCc2ccc3CCCNc3n2)c1=O)C1CC1)c1ccc2CCOc2c1 Show InChI InChI=1S/C30H33N5O5/c36-27(34-24(15-28(37)38)21-6-5-19-11-13-40-26(19)14-21)17-35-25(18-3-4-18)10-9-23(30(35)39)32-16-22-8-7-20-2-1-12-31-29(20)33-22/h5-10,14,18,24,32H,1-4,11-13,15-17H2,(H,31,33)(H,34,36)(H,37,38)/t24-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against human alpha V beta3 receptor using SPAV3 assay				Bioorg Med Chem Lett 13: 1809-12 (2003) BindingDB Entry DOI: 10.7270/Q2CJ8CVB
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50127940 ((S)-3-(2-{6-Cyclopropyl-2-oxo-3-[(5,6,7,8-tetrahyd...) Show SMILES OC(=O)C[C@H](NC(=O)Cn1c(cnc(NCc2ccc3CCCNc3n2)c1=O)C1CC1)c1cccnc1 Show InChI InChI=1S/C26H29N7O4/c34-22(32-20(11-23(35)36)18-4-1-9-27-12-18)15-33-21(16-5-6-16)14-30-25(26(33)37)29-13-19-8-7-17-3-2-10-28-24(17)31-19/h1,4,7-9,12,14,16,20H,2-3,5-6,10-11,13,15H2,(H,28,31)(H,29,30)(H,32,34)(H,35,36)/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Ability to bind to the Alpha 2 Beta 3 integrin expressed as inhibitory concentration against ADP-stimulated aggregation of human gel-filtered platele...				Bioorg Med Chem Lett 13: 1809-12 (2003) BindingDB Entry DOI: 10.7270/Q2CJ8CVB
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50127942 (3-(2-{6-Methyl-2-oxo-3-[(5,6,7,8-tetrahydro-[1,8]n...) Show SMILES Cc1ccc(NCc2ccc3CCCNc3n2)c(=O)n1CC(=O)N[C@@H](CC(O)=O)c1cccnc1 Show InChI InChI=1S/C25H28N6O4/c1-16-6-9-20(28-14-19-8-7-17-4-3-11-27-24(17)29-19)25(35)31(16)15-22(32)30-21(12-23(33)34)18-5-2-10-26-13-18/h2,5-10,13,21,28H,3-4,11-12,14-15H2,1H3,(H,27,29)(H,30,32)(H,33,34)/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against human alpha V beta3 receptor using SPAV3 assay				Bioorg Med Chem Lett 13: 1809-12 (2003) BindingDB Entry DOI: 10.7270/Q2CJ8CVB
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50107404 ((S)-3-Pyridin-3-yl-3-[2-(4-5,6,7,8-tetrahydro-[1,8...) Show SMILES OC(=O)C[C@H](NC(=O)CNC(=O)CCCc1ccc2CCCNc2n1)c1cccnc1 Show InChI InChI=1S/C22H27N5O4/c28-19(7-1-6-17-9-8-15-4-3-11-24-22(15)26-17)25-14-20(29)27-18(12-21(30)31)16-5-2-10-23-13-16/h2,5,8-10,13,18H,1,3-4,6-7,11-12,14H2,(H,24,26)(H,25,28)(H,27,29)(H,30,31)/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against human alphaV-beta3 integrin using SPAV3 assay				Bioorg Med Chem Lett 13: 1809-12 (2003) BindingDB Entry DOI: 10.7270/Q2CJ8CVB
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50127952 ((S)-3-(2-{5-Chloro-6-methyl-2-oxo-3-[(5,6,7,8-tetr...) Show SMILES Cc1c(Cl)nc(NCc2ccc3CCCNc3n2)c(=O)n1CC(=O)N[C@@H](CC(O)=O)c1cccc(F)c1 Show InChI InChI=1S/C25H26ClFN6O4/c1-14-22(26)32-24(29-12-18-8-7-15-5-3-9-28-23(15)30-18)25(37)33(14)13-20(34)31-19(11-21(35)36)16-4-2-6-17(27)10-16/h2,4,6-8,10,19H,3,5,9,11-13H2,1H3,(H,28,30)(H,29,32)(H,31,34)(H,35,36)/t19-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against human alphaV-beta3 integrin using SPAV3 assay				Bioorg Med Chem Lett 13: 1809-12 (2003) BindingDB Entry DOI: 10.7270/Q2CJ8CVB
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50127948 ((S)-3-(2-{5-Chloro-6-cyclopropyl-2-oxo-3-[(5,6,7,8...) Show SMILES OC(=O)C[C@H](NC(=O)Cn1c(C2CC2)c(Cl)nc(NCc2ccc3CCCNc3n2)c1=O)c1cccc(F)c1 Show InChI InChI=1S/C27H28ClFN6O4/c28-24-23(15-6-7-15)35(14-21(36)33-20(12-22(37)38)17-3-1-5-18(29)11-17)27(39)26(34-24)31-13-19-9-8-16-4-2-10-30-25(16)32-19/h1,3,5,8-9,11,15,20H,2,4,6-7,10,12-14H2,(H,30,32)(H,31,34)(H,33,36)(H,37,38)/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against human alphaV-beta3 integrin using SPAV3 assay				Bioorg Med Chem Lett 13: 1809-12 (2003) BindingDB Entry DOI: 10.7270/Q2CJ8CVB
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50127953 ((S)-3-(2-{5-Chloro-6-ethyl-2-oxo-3-[(5,6,7,8-tetra...) Show SMILES CCc1c(Cl)nc(NCc2ccc3CCCNc3n2)c(=O)n1CC(=O)N[C@@H](CC(O)=O)c1cccc(F)c1 Show InChI InChI=1S/C26H28ClFN6O4/c1-2-20-23(27)33-25(30-13-18-9-8-15-6-4-10-29-24(15)31-18)26(38)34(20)14-21(35)32-19(12-22(36)37)16-5-3-7-17(28)11-16/h3,5,7-9,11,19H,2,4,6,10,12-14H2,1H3,(H,29,31)(H,30,33)(H,32,35)(H,36,37)/t19-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Ability to bind to the Alpha 2 Beta 3 integrin expressed as inhibitory concentration against ADP-stimulated aggregation of human gel-filtered platele...				Bioorg Med Chem Lett 13: 1809-12 (2003) BindingDB Entry DOI: 10.7270/Q2CJ8CVB
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50127938 (3-(2-{6-Cyclopropyl-2-oxo-3-[(5,6,7,8-tetrahydro-[...) Show SMILES OC(=O)C[C@H](NC(=O)Cn1c(ccc(NCc2ccc3CCCNc3n2)c1=O)C1CC1)c1cccnc1 Show InChI InChI=1S/C27H30N6O4/c34-24(32-22(13-25(35)36)19-4-1-11-28-14-19)16-33-23(17-5-6-17)10-9-21(27(33)37)30-15-20-8-7-18-3-2-12-29-26(18)31-20/h1,4,7-11,14,17,22,30H,2-3,5-6,12-13,15-16H2,(H,29,31)(H,32,34)(H,35,36)/t22-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against human alphaV-beta3 integrin using SPAV3 assay				Bioorg Med Chem Lett 13: 1809-12 (2003) BindingDB Entry DOI: 10.7270/Q2CJ8CVB
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50127945 ((S)-3-(2-{5-Chloro-2-oxo-6-phenyl-3-[(5,6,7,8-tetr...) Show SMILES OC(=O)C[C@H](NC(=O)Cn1c(c(Cl)nc(NCc2ccc3CCCNc3n2)c1=O)-c1ccccc1)c1cccc(F)c1 Show InChI InChI=1S/C30H28ClFN6O4/c31-27-26(18-6-2-1-3-7-18)38(17-24(39)36-23(15-25(40)41)20-8-4-10-21(32)14-20)30(42)29(37-27)34-16-22-12-11-19-9-5-13-33-28(19)35-22/h1-4,6-8,10-12,14,23H,5,9,13,15-17H2,(H,33,35)(H,34,37)(H,36,39)(H,40,41)/t23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against human alpha V beta3 receptor using SPAV3 assay				Bioorg Med Chem Lett 13: 1809-12 (2003) BindingDB Entry DOI: 10.7270/Q2CJ8CVB
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50127957 ((S)-3-(3-Fluoro-phenyl)-3-(2-{6-methyl-2-oxo-3-[(5...) Show SMILES Cc1cnc(NCc2ccc3CCCNc3n2)c(=O)n1CC(=O)N[C@@H](CC(O)=O)c1cccc(F)c1 Show InChI InChI=1S/C25H27FN6O4/c1-15-12-28-24(29-13-19-8-7-16-5-3-9-27-23(16)30-19)25(36)32(15)14-21(33)31-20(11-22(34)35)17-4-2-6-18(26)10-17/h2,4,6-8,10,12,20H,3,5,9,11,13-14H2,1H3,(H,27,30)(H,28,29)(H,31,33)(H,34,35)/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against human alpha V beta3 receptor using SPAV3 assay				Bioorg Med Chem Lett 13: 1809-12 (2003) BindingDB Entry DOI: 10.7270/Q2CJ8CVB
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50127939 ((S)-3-(2-{5-Chloro-6-cyclopropyl-2-oxo-3-[(5,6,7,8...) Show SMILES OC(=O)C[C@H](NC(=O)Cn1c(C2CC2)c(Cl)nc(NCc2ccc3CCCNc3n2)c1=O)c1ccc2CCOc2c1 Show InChI InChI=1S/C29H31ClN6O5/c30-26-25(17-4-5-17)36(29(40)28(35-26)32-14-20-8-7-18-2-1-10-31-27(18)33-20)15-23(37)34-21(13-24(38)39)19-6-3-16-9-11-41-22(16)12-19/h3,6-8,12,17,21H,1-2,4-5,9-11,13-15H2,(H,31,33)(H,32,35)(H,34,37)(H,38,39)/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Ability to bind to the Alpha 2 Beta 3 integrin expressed as inhibitory concentration against ADP-stimulated aggregation of human gel-filtered platele...				Bioorg Med Chem Lett 13: 1809-12 (2003) BindingDB Entry DOI: 10.7270/Q2CJ8CVB
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50127944 ((S)-3-Benzo[1,3]dioxol-5-yl-3-(2-{6-cyclopropyl-2-...) Show SMILES OC(=O)C[C@H](NC(=O)Cn1c(cnc(NCc2ccc3CCCNc3n2)c1=O)C1CC1)c1ccc2OCOc2c1 Show InChI InChI=1S/C28H30N6O6/c35-24(33-20(11-25(36)37)18-6-8-22-23(10-18)40-15-39-22)14-34-21(16-3-4-16)13-31-27(28(34)38)30-12-19-7-5-17-2-1-9-29-26(17)32-19/h5-8,10,13,16,20H,1-4,9,11-12,14-15H2,(H,29,32)(H,30,31)(H,33,35)(H,36,37)/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Ability to bind to the alpha IIb beta3 integrin expressed as inhibitory concentration against ADP-stimulated aggregation of human gel-filtered platel...				Bioorg Med Chem Lett 13: 1809-12 (2003) BindingDB Entry DOI: 10.7270/Q2CJ8CVB
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50127943 ((S)-3-(2-{5-Chloro-6-cyclopropyl-2-oxo-3-[(5,6,7,8...) Show SMILES OC(=O)C[C@H](NC(=O)Cn1c(C2CC2)c(Cl)nc(NCc2ccc3CCCNc3n2)c1=O)c1cccnc1 Show InChI InChI=1S/C26H28ClN7O4/c27-23-22(15-5-6-15)34(14-20(35)32-19(11-21(36)37)17-4-1-9-28-12-17)26(38)25(33-23)30-13-18-8-7-16-3-2-10-29-24(16)31-18/h1,4,7-9,12,15,19H,2-3,5-6,10-11,13-14H2,(H,29,31)(H,30,33)(H,32,35)(H,36,37)/t19-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against human alpha V beta3 receptor using SPAV3 assay				Bioorg Med Chem Lett 13: 1809-12 (2003) BindingDB Entry DOI: 10.7270/Q2CJ8CVB
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50107403 ((S)-3-(2-{2-Oxo-3-[2-(5,6,7,8-tetrahydro-[1,8]naph...) Show SMILES OC(=O)C[C@H](NC(=O)CN1CCCC(CCc2ccc3CCCNc3n2)C1=O)c1cccnc1 Show InChI InChI=1S/C25H31N5O4/c31-22(29-21(14-23(32)33)19-5-1-11-26-15-19)16-30-13-3-6-18(25(30)34)8-10-20-9-7-17-4-2-12-27-24(17)28-20/h1,5,7,9,11,15,18,21H,2-4,6,8,10,12-14,16H2,(H,27,28)(H,29,31)(H,32,33)/t18?,21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against human alphaV-beta3 integrin using SPAV3 assay				Bioorg Med Chem Lett 13: 1809-12 (2003) BindingDB Entry DOI: 10.7270/Q2CJ8CVB
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50127950 (3-(2-{6-Methyl-2-oxo-3-[(5,6,7,8-tetrahydro-[1,8]n...) Show SMILES Cc1cnc(NCc2ccc3CCCNc3n2)c(=O)n1CC(=O)N[C@@H](CC(O)=O)c1cccnc1 Show InChI InChI=1S/C24H27N7O4/c1-15-11-27-23(28-13-18-7-6-16-4-3-9-26-22(16)29-18)24(35)31(15)14-20(32)30-19(10-21(33)34)17-5-2-8-25-12-17/h2,5-8,11-12,19H,3-4,9-10,13-14H2,1H3,(H,26,29)(H,27,28)(H,30,32)(H,33,34)/t19-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against human alphaV-beta3 integrin using SPAV3 assay				Bioorg Med Chem Lett 13: 1809-12 (2003) BindingDB Entry DOI: 10.7270/Q2CJ8CVB
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50127951 ((S)-3-(2-{5-Chloro-6-cyclopropyl-2-oxo-3-[(5,6,7,8...) Show SMILES OC(=O)C[C@H](NC(=O)Cn1c(C2CC2)c(Cl)nc(NCc2ccc3CCCNc3n2)c1=O)c1cnc2ccccc2c1 Show InChI InChI=1S/C30H30ClN7O4/c31-27-26(17-7-8-17)38(30(42)29(37-27)34-15-21-10-9-18-5-3-11-32-28(18)35-21)16-24(39)36-23(13-25(40)41)20-12-19-4-1-2-6-22(19)33-14-20/h1-2,4,6,9-10,12,14,17,23H,3,5,7-8,11,13,15-16H2,(H,32,35)(H,34,37)(H,36,39)(H,40,41)/t23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Ability to bind to the Alpha 2 Beta 3 integrin expressed as inhibitory concentration against ADP-stimulated aggregation of human gel-filtered platele...				Bioorg Med Chem Lett 13: 1809-12 (2003) BindingDB Entry DOI: 10.7270/Q2CJ8CVB
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50107397 ((S)-3-(2-{(S)-2-Oxo-3-[2-(5,6,7,8-tetrahydro-[1,8]...) Show SMILES OC(=O)C[C@H](NC(=O)CN1CC[C@H](CCc2ccc3CCCNc3n2)C1=O)c1cccnc1 Show InChI InChI=1S/C24H29N5O4/c30-21(28-20(13-22(31)32)18-4-1-10-25-14-18)15-29-12-9-17(24(29)33)6-8-19-7-5-16-3-2-11-26-23(16)27-19/h1,4-5,7,10,14,17,20H,2-3,6,8-9,11-13,15H2,(H,26,27)(H,28,30)(H,31,32)/t17-,20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Ability to bind to the alpha IIb beta3 integrin expressed as inhibitory concentration against ADP-stimulated aggregation of human gel-filtered platel...				Bioorg Med Chem Lett 13: 1809-12 (2003) BindingDB Entry DOI: 10.7270/Q2CJ8CVB
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50127941 ((S)-3-(2-{6-Ethyl-2-oxo-3-[(5,6,7,8-tetrahydro-[1,...) Show SMILES CCc1cnc(NCc2ccc3CCCNc3n2)c(=O)n1CC(=O)N[C@@H](CC(O)=O)c1cccc(F)c1 Show InChI InChI=1S/C26H29FN6O4/c1-2-20-14-30-25(29-13-19-9-8-16-6-4-10-28-24(16)31-19)26(37)33(20)15-22(34)32-21(12-23(35)36)17-5-3-7-18(27)11-17/h3,5,7-9,11,14,21H,2,4,6,10,12-13,15H2,1H3,(H,28,31)(H,29,30)(H,32,34)(H,35,36)/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Ability to bind to the Alpha 2 Beta 3 integrin expressed as inhibitory concentration against ADP-stimulated aggregation of human gel-filtered platele...				Bioorg Med Chem Lett 13: 1809-12 (2003) BindingDB Entry DOI: 10.7270/Q2CJ8CVB
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50127946 (3-(2-{2-Oxo-3-[(5,6,7,8-tetrahydro-[1,8]naphthyrid...) Show SMILES OC(=O)C[C@H](NC(=O)Cn1cccc(NCc2ccc3CCCNc3n2)c1=O)c1cccnc1 Show InChI InChI=1S/C24H26N6O4/c31-21(29-20(12-22(32)33)17-5-1-9-25-13-17)15-30-11-3-6-19(24(30)34)27-14-18-8-7-16-4-2-10-26-23(16)28-18/h1,3,5-9,11,13,20,27H,2,4,10,12,14-15H2,(H,26,28)(H,29,31)(H,32,33)/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Ability to bind to the Alpha 2 Beta 3 integrin expressed as inhibitory concentration against ADP-stimulated aggregation of human gel-filtered platele...				Bioorg Med Chem Lett 13: 1809-12 (2003) BindingDB Entry DOI: 10.7270/Q2CJ8CVB
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50127955 (3-(2-{2-Oxo-6-propyl-3-[(5,6,7,8-tetrahydro-[1,8]n...) Show SMILES CCCc1ccc(NCc2ccc3CCCNc3n2)c(=O)n1CC(=O)N[C@@H](CC(O)=O)c1cccnc1 Show InChI InChI=1S/C27H32N6O4/c1-2-5-21-10-11-22(30-16-20-9-8-18-6-4-13-29-26(18)31-20)27(37)33(21)17-24(34)32-23(14-25(35)36)19-7-3-12-28-15-19/h3,7-12,15,23,30H,2,4-6,13-14,16-17H2,1H3,(H,29,31)(H,32,34)(H,35,36)/t23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Ability to bind to the Alpha 2 Beta 3 integrin expressed as inhibitory concentration against ADP-stimulated aggregation of human gel-filtered platele...				Bioorg Med Chem Lett 13: 1809-12 (2003) BindingDB Entry DOI: 10.7270/Q2CJ8CVB
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50127954 ((S)-3-(2-{6-Cyclopropyl-2-oxo-3-[(5,6,7,8-tetrahyd...) Show SMILES OC(=O)C[C@H](NC(=O)Cn1c(ccc(NCc2ccc3CCCNc3n2)c1=O)C1CC1)C#C Show InChI InChI=1S/C24H27N5O4/c1-2-17(12-22(31)32)27-21(30)14-29-20(15-5-6-15)10-9-19(24(29)33)26-13-18-8-7-16-4-3-11-25-23(16)28-18/h1,7-10,15,17,26H,3-6,11-14H2,(H,25,28)(H,27,30)(H,31,32)/t17-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Ability to bind to the alpha IIb beta3 integrin expressed as inhibitory concentration against ADP-stimulated aggregation of human gel-filtered platel...				Bioorg Med Chem Lett 13: 1809-12 (2003) BindingDB Entry DOI: 10.7270/Q2CJ8CVB
					More data for this Ligand-Target Pair