Compile Data Set for Download or QSAR

Found 48 hits with Last Name = 'brashear' and Initial = 'km'   

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))	BDBM50107412 (3-(2-{2-Oxo-3-[2-(5,6,7,8-tetrahydro-[1,8]naphthyr...) Show SMILES OC(=O)C[C@H](NC(=O)CN1CC[C@H](CCc2ccc3CCCNc3n2)C1=O)c1cnc2ccccc2c1 Show InChI InChI=1S/C28H31N5O4/c34-25(32-24(15-26(35)36)21-14-20-4-1-2-6-23(20)30-16-21)17-33-13-11-19(28(33)37)8-10-22-9-7-18-5-3-12-29-27(18)31-22/h1-2,4,6-7,9,14,16,19,24H,3,5,8,10-13,15,17H2,(H,29,31)(H,32,34)(H,35,36)/t19-,24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of high affinity radioligand binding to human alphaV-beta3 integrin				Bioorg Med Chem Lett 12: 31-4 (2001) BindingDB Entry DOI: 10.7270/Q24J0G8R
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50153027 ((S)-3-Pyrimidin-5-yl-9-(5,6,7,8-tetrahydro-[1,8]na...) Show SMILES OC(=O)C[C@H](CCCCCCc1ccc2CCCNc2n1)c1cncnc1 Show InChI InChI=1S/C21H28N4O2/c26-20(27)12-17(18-13-22-15-23-14-18)6-3-1-2-4-8-19-10-9-16-7-5-11-24-21(16)25-19/h9-10,13-15,17H,1-8,11-12H2,(H,24,25)(H,26,27)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.0700	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against alpha v beta-3 receptor using scintillation proximity assay (SPAV3)				J Med Chem 47: 4829-37 (2004) Article DOI: 10.1021/jm049874c BindingDB Entry DOI: 10.7270/Q2CJ8FQC
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50153031 ((S)-3-(2-Methyl-pyrimidin-5-yl)-9-(5,6,7,8-tetrahy...) Show SMILES Cc1ncc(cn1)[C@@H](CCCCCCc1ccc2CCCNc2n1)CC(O)=O Show InChI InChI=1S/C22H30N4O2/c1-16-24-14-19(15-25-16)18(13-21(27)28)7-4-2-3-5-9-20-11-10-17-8-6-12-23-22(17)26-20/h10-11,14-15,18H,2-9,12-13H2,1H3,(H,23,26)(H,27,28)/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.0800	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against alpha v beta-3 receptor using scintillation proximity assay (SPAV3)				J Med Chem 47: 4829-37 (2004) Article DOI: 10.1021/jm049874c BindingDB Entry DOI: 10.7270/Q2CJ8FQC
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50134778 ((S)-3-(6-Methoxy-pyridin-3-yl)-3-{2-oxo-3-[3-(5,6,...) Show SMILES COc1ccc(cn1)[C@H](CC(O)=O)N1CCN(CCCc2ccc3CCCNc3n2)C1=O Show InChI InChI=1S/C23H29N5O4/c1-32-20-9-7-17(15-25-20)19(14-21(29)30)28-13-12-27(23(28)31)11-3-5-18-8-6-16-4-2-10-24-22(16)26-18/h6-9,15,19H,2-5,10-14H2,1H3,(H,24,26)(H,29,30)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.0800	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of alphaV-beta3 integrin binding				J Med Chem 46: 4790-8 (2003) Article DOI: 10.1021/jm030306r BindingDB Entry DOI: 10.7270/Q29K49N1
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50134777 ((S)-3-(2,3-Dihydro-benzofuran-6-yl)-3-{2-oxo-3-[3-...) Show SMILES OC(=O)C[C@H](N1CCN(CCCc2ccc3CCCNc3n2)C1=O)c1ccc2CCOc2c1 Show InChI InChI=1S/C25H30N4O4/c30-23(31)16-21(19-6-5-17-9-14-33-22(17)15-19)29-13-12-28(25(29)32)11-2-4-20-8-7-18-3-1-10-26-24(18)27-20/h5-8,15,21H,1-4,9-14,16H2,(H,26,27)(H,30,31)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of alphaV-beta3 integrin binding				J Med Chem 46: 4790-8 (2003) Article DOI: 10.1021/jm030306r BindingDB Entry DOI: 10.7270/Q29K49N1
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50107410 (3-(2,3-Dihydro-benzofuran-6-yl)-3-(2-{2-oxo-3-[2-(...) Show SMILES OC(=O)C[C@H](NC(=O)CN1CC[C@H](CCc2ccc3CCCNc3n2)C1=O)c1ccc2CCOc2c1 Show InChI InChI=1S/C27H32N4O5/c32-24(30-22(15-25(33)34)20-4-3-17-10-13-36-23(17)14-20)16-31-12-9-19(27(31)35)6-8-21-7-5-18-2-1-11-28-26(18)29-21/h3-5,7,14,19,22H,1-2,6,8-13,15-16H2,(H,28,29)(H,30,32)(H,33,34)/t19-,22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.110	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of high affinity radioligand binding to human alphaV-beta3 integrin				Bioorg Med Chem Lett 12: 31-4 (2001) BindingDB Entry DOI: 10.7270/Q24J0G8R
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50153026 ((S)-3-(2-Methoxy-pyrimidin-5-yl)-9-(5,6,7,8-tetrah...) Show SMILES COc1ncc(cn1)[C@@H](CCCCCCc1ccc2CCCNc2n1)CC(O)=O Show InChI InChI=1S/C22H30N4O3/c1-29-22-24-14-18(15-25-22)17(13-20(27)28)7-4-2-3-5-9-19-11-10-16-8-6-12-23-21(16)26-19/h10-11,14-15,17H,2-9,12-13H2,1H3,(H,23,26)(H,27,28)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.110	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against alpha v beta-3 receptor using scintillation proximity assay (SPAV3)				J Med Chem 47: 4829-37 (2004) Article DOI: 10.1021/jm049874c BindingDB Entry DOI: 10.7270/Q2CJ8FQC
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50153029 ((S)-3-Quinolin-3-yl-9-(5,6,7,8-tetrahydro-[1,8]nap...) Show SMILES OC(=O)C[C@H](CCCCCCc1ccc2CCCNc2n1)c1cnc2ccccc2c1 Show InChI InChI=1S/C26H31N3O2/c30-25(31)17-20(22-16-21-9-5-6-12-24(21)28-18-22)8-3-1-2-4-11-23-14-13-19-10-7-15-27-26(19)29-23/h5-6,9,12-14,16,18,20H,1-4,7-8,10-11,15,17H2,(H,27,29)(H,30,31)/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article 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 alpha v beta-3 receptor using scintillation proximity assay (SPAV3)				J Med Chem 47: 4829-37 (2004) Article DOI: 10.1021/jm049874c BindingDB Entry DOI: 10.7270/Q2CJ8FQC
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50153023 ((S)-3-(2,3-Dihydro-benzofuran-6-yl)-9-(5,6,7,8-tet...) Show SMILES OC(=O)C[C@H](CCCCCCc1ccc2CCCNc2n1)c1ccc2CCOc2c1 Show InChI InChI=1S/C25H32N2O3/c28-24(29)17-20(21-10-9-18-13-15-30-23(18)16-21)6-3-1-2-4-8-22-12-11-19-7-5-14-26-25(19)27-22/h9-12,16,20H,1-8,13-15,17H2,(H,26,27)(H,28,29)/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.210	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against alpha v beta-3 receptor using scintillation proximity assay (SPAV3)				J Med Chem 47: 4829-37 (2004) Article DOI: 10.1021/jm049874c BindingDB Entry DOI: 10.7270/Q2CJ8FQC
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50134780 ((S)-3-{2-Oxo-3-[3-(5,6,7,8-tetrahydro-[1,8]naphthy...) Show SMILES OC(=O)C[C@H](N1CCN(CCCc2ccc3CCCNc3n2)C1=O)c1cccnc1 Show InChI InChI=1S/C22H27N5O3/c28-20(29)14-19(17-5-1-9-23-15-17)27-13-12-26(22(27)30)11-3-6-18-8-7-16-4-2-10-24-21(16)25-18/h1,5,7-9,15,19H,2-4,6,10-14H2,(H,24,25)(H,28,29)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.25	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of alphaV-beta3 integrin binding				J Med Chem 46: 4790-8 (2003) Article DOI: 10.1021/jm030306r BindingDB Entry DOI: 10.7270/Q29K49N1
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50121151 (3-[5-(3-Cyclopropyl-5,6,7,8-tetrahydro-[1,8]naphth...) Show SMILES OC(=O)C(CNC(=O)CCCCc1nc2NCCCc2cc1C1CC1)c1ccc2CCOc2c1 Show InChI InChI=1S/C27H33N3O4/c31-25(29-16-22(27(32)33)19-10-9-18-11-13-34-24(18)15-19)6-2-1-5-23-21(17-7-8-17)14-20-4-3-12-28-26(20)30-23/h9-10,14-15,17,22H,1-8,11-13,16H2,(H,28,30)(H,29,31)(H,32,33)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.290	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of binding to human integrin receptor alpha V beta3				Bioorg Med Chem Lett 12: 3483-6 (2002) BindingDB Entry DOI: 10.7270/Q26974S6
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50107411 ((S)-3-(2-Oxo-2,3-dihydro-benzooxazol-6-yl)-3-(2-{(...) Show SMILES OC(=O)C[C@H](NC(=O)CN1CC[C@H](CCc2ccc3CCCNc3n2)C1=O)c1ccc2[nH]c(=O)oc2c1 Show InChI InChI=1S/C26H29N5O6/c32-22(29-20(13-23(33)34)17-5-8-19-21(12-17)37-26(36)30-19)14-31-11-9-16(25(31)35)4-7-18-6-3-15-2-1-10-27-24(15)28-18/h3,5-6,8,12,16,20H,1-2,4,7,9-11,13-14H2,(H,27,28)(H,29,32)(H,30,36)(H,33,34)/t16-,20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.290	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of high affinity radioligand binding to human alphaV-beta3 integrin				Bioorg Med Chem Lett 12: 31-4 (2001) BindingDB Entry DOI: 10.7270/Q24J0G8R
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50107407 (3-(4-Ethoxy-3-fluoro-phenyl)-3-(2-{2-oxo-3-[2-(5,6...) Show SMILES CCOc1ccc(cc1F)[C@H](CC(O)=O)NC(=O)CN1CC[C@H](CCc2ccc3CCCNc3n2)C1=O Show InChI InChI=1S/C27H33FN4O5/c1-2-37-23-10-7-19(14-21(23)28)22(15-25(34)35)31-24(33)16-32-13-11-18(27(32)36)6-9-20-8-5-17-4-3-12-29-26(17)30-20/h5,7-8,10,14,18,22H,2-4,6,9,11-13,15-16H2,1H3,(H,29,30)(H,31,33)(H,34,35)/t18-,22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.310	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of high affinity radioligand binding to human alphaV-beta3 integrin				Bioorg Med Chem Lett 12: 31-4 (2001) BindingDB Entry DOI: 10.7270/Q24J0G8R
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50107415 (3-Benzo[1,3]dioxol-5-yl-3-(2-{2-oxo-3-[2-(5,6,7,8-...) Show SMILES OC(=O)C[C@H](NC(=O)CN1CC[C@H](CCc2ccc3CCCNc3n2)C1=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C26H30N4O6/c31-23(29-20(13-24(32)33)18-5-8-21-22(12-18)36-15-35-21)14-30-11-9-17(26(30)34)4-7-19-6-3-16-2-1-10-27-25(16)28-19/h3,5-6,8,12,17,20H,1-2,4,7,9-11,13-15H2,(H,27,28)(H,29,31)(H,32,33)/t17-,20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.320	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of high affinity radioligand binding to human alphaV-beta3 integrin				Bioorg Med Chem Lett 12: 31-4 (2001) BindingDB Entry DOI: 10.7270/Q24J0G8R
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50134776 ((S)-3-(3-Fluoro-4-methoxy-phenyl)-3-{2-oxo-3-[3-(5...) Show SMILES COc1ccc(cc1F)[C@H](CC(O)=O)N1CCN(CCCc2ccc3CCCNc3n2)C1=O Show InChI InChI=1S/C24H29FN4O4/c1-33-21-9-7-17(14-19(21)25)20(15-22(30)31)29-13-12-28(24(29)32)11-3-5-18-8-6-16-4-2-10-26-23(16)27-18/h6-9,14,20H,2-5,10-13,15H2,1H3,(H,26,27)(H,30,31)/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.350	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of alphaV-beta3 integrin binding				J Med Chem 46: 4790-8 (2003) Article DOI: 10.1021/jm030306r BindingDB Entry DOI: 10.7270/Q29K49N1
					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	0.350	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of high affinity radioligand binding to human alphaV-beta3 integrin				Bioorg Med Chem Lett 12: 31-4 (2001) BindingDB Entry DOI: 10.7270/Q24J0G8R
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50121147 (2-(2,3-Dihydro-benzofuran-6-yl)-3-[methyl-(3-1,2,3...) Show SMILES CN(CC(C(O)=O)c1ccc2CCOc2c1)C(=O)CCC1CCc2cc3CCCNc3nc2C1 Show InChI InChI=1S/C27H33N3O4/c1-30(16-22(27(32)33)19-8-7-18-10-12-34-24(18)15-19)25(31)9-5-17-4-6-20-14-21-3-2-11-28-26(21)29-23(20)13-17/h7-8,14-15,17,22H,2-6,9-13,16H2,1H3,(H,28,29)(H,32,33)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.350	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of binding to human integrin receptor alpha V beta3				Bioorg Med Chem Lett 12: 3483-6 (2002) BindingDB Entry DOI: 10.7270/Q26974S6
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50134779 ((S)-3-{3-[3-(7-Hydroxy-5,6,7,8-tetrahydro-[1,8]nap...) Show SMILES COc1ccc(cn1)[C@H](CC(O)=O)N1CCN(CCCc2ccc3CCC(O)Nc3n2)C1=O Show InChI InChI=1S/C23H29N5O5/c1-33-20-9-6-16(14-24-20)18(13-21(30)31)28-12-11-27(23(28)32)10-2-3-17-7-4-15-5-8-19(29)26-22(15)25-17/h4,6-7,9,14,18-19,29H,2-3,5,8,10-13H2,1H3,(H,25,26)(H,30,31)/t18-,19?/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article 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 Inhibition of alphaV-beta3 integrin binding				J Med Chem 46: 4790-8 (2003) Article DOI: 10.1021/jm030306r BindingDB Entry DOI: 10.7270/Q29K49N1
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50107417 (3-(3-Fluoro-4-methoxy-phenyl)-3-(2-{2-oxo-3-[2-(5,...) Show SMILES COc1ccc(cc1F)[C@H](CC(O)=O)NC(=O)CN1CC[C@H](CCc2ccc3CCCNc3n2)C1=O Show InChI InChI=1S/C26H31FN4O5/c1-36-22-9-6-18(13-20(22)27)21(14-24(33)34)30-23(32)15-31-12-10-17(26(31)35)5-8-19-7-4-16-3-2-11-28-25(16)29-19/h4,6-7,9,13,17,21H,2-3,5,8,10-12,14-15H2,1H3,(H,28,29)(H,30,32)(H,33,34)/t17-,21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.490	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of high affinity radioligand binding to human alphaV-beta3 integrin				Bioorg Med Chem Lett 12: 31-4 (2001) BindingDB Entry DOI: 10.7270/Q24J0G8R
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50121153 (3-{[5-(3-Cyclopropyl-5,6,7,8-tetrahydro-[1,8]napht...) Show SMILES CN(CC(C(O)=O)c1ccc2CCOc2c1)C(=O)CCCCc1nc2NCCCc2cc1C1CC1 Show InChI InChI=1S/C28H35N3O4/c1-31(17-23(28(33)34)20-11-10-19-12-14-35-25(19)16-20)26(32)7-3-2-6-24-22(18-8-9-18)15-21-5-4-13-29-27(21)30-24/h10-11,15-16,18,23H,2-9,12-14,17H2,1H3,(H,29,30)(H,33,34)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.490	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of binding to human integrin receptor alpha V beta3				Bioorg Med Chem Lett 12: 3483-6 (2002) BindingDB Entry DOI: 10.7270/Q26974S6
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50153024 ((S)-3-(2-Isopropyl-pyrimidin-5-yl)-9-(5,6,7,8-tetr...) Show SMILES CC(C)c1ncc(cn1)[C@@H](CCCCCCc1ccc2CCCNc2n1)CC(O)=O Show InChI InChI=1S/C24H34N4O2/c1-17(2)23-26-15-20(16-27-23)19(14-22(29)30)8-5-3-4-6-10-21-12-11-18-9-7-13-25-24(18)28-21/h11-12,15-17,19H,3-10,13-14H2,1-2H3,(H,25,28)(H,29,30)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.520	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against alpha v beta-3 receptor using scintillation proximity assay (SPAV3)				J Med Chem 47: 4829-37 (2004) Article DOI: 10.1021/jm049874c BindingDB Entry DOI: 10.7270/Q2CJ8FQC
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50107413 (3-(2-Fluoro-biphenyl-4-yl)-3-(2-{2-oxo-3-[2-(5,6,7...) Show SMILES OC(=O)C[C@H](NC(=O)CN1CC[C@H](CCc2ccc3CCCNc3n2)C1=O)c1ccc(c(F)c1)-c1ccccc1 Show InChI InChI=1S/C31H33FN4O4/c32-26-17-23(10-13-25(26)20-5-2-1-3-6-20)27(18-29(38)39)35-28(37)19-36-16-14-22(31(36)40)9-12-24-11-8-21-7-4-15-33-30(21)34-24/h1-3,5-6,8,10-11,13,17,22,27H,4,7,9,12,14-16,18-19H2,(H,33,34)(H,35,37)(H,38,39)/t22-,27-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.570	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of high affinity radioligand binding to human alphaV-beta3 integrin				Bioorg Med Chem Lett 12: 31-4 (2001) BindingDB Entry DOI: 10.7270/Q24J0G8R
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50153030 ((S)-3-(6-Methoxy-pyridin-3-yl)-9-(5,6,7,8-tetrahyd...) Show SMILES COc1ccc(cn1)[C@@H](CCCCCCc1ccc2CCCNc2n1)CC(O)=O Show InChI InChI=1S/C23H31N3O3/c1-29-21-13-11-19(16-25-21)18(15-22(27)28)7-4-2-3-5-9-20-12-10-17-8-6-14-24-23(17)26-20/h10-13,16,18H,2-9,14-15H2,1H3,(H,24,26)(H,27,28)/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.650	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against alpha v beta-3 receptor using scintillation proximity assay (SPAV3)				J Med Chem 47: 4829-37 (2004) Article DOI: 10.1021/jm049874c BindingDB Entry DOI: 10.7270/Q2CJ8FQC
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50121148 (2-(2,3-Dihydro-benzofuran-6-yl)-3-(3-1,2,3,4,6,7,8...) Show SMILES OC(=O)C(CNC(=O)CCC1CCc2cc3CCCNc3nc2C1)c1ccc2CCOc2c1 Show InChI InChI=1S/C26H31N3O4/c30-24(28-15-21(26(31)32)18-7-6-17-9-11-33-23(17)14-18)8-4-16-3-5-19-13-20-2-1-10-27-25(20)29-22(19)12-16/h6-7,13-14,16,21H,1-5,8-12,15H2,(H,27,29)(H,28,30)(H,31,32)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.720	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of binding to human integrin receptor alpha V beta3				Bioorg Med Chem Lett 12: 3483-6 (2002) BindingDB Entry DOI: 10.7270/Q26974S6
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50121154 (2-(2,3-Dihydro-benzofuran-6-yl)-3-[methyl-(5-5,6,7...) Show SMILES CN(CC(C(O)=O)c1ccc2CCOc2c1)C(=O)CCCCc1ccc2CCCNc2n1 Show InChI InChI=1S/C25H31N3O4/c1-28(16-21(25(30)31)19-9-8-17-12-14-32-22(17)15-19)23(29)7-3-2-6-20-11-10-18-5-4-13-26-24(18)27-20/h8-11,15,21H,2-7,12-14,16H2,1H3,(H,26,27)(H,30,31)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.740	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of binding to human integrin receptor alpha V beta3				Bioorg Med Chem Lett 12: 3483-6 (2002) BindingDB Entry DOI: 10.7270/Q26974S6
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50121146 (2-Quinolin-3-yl-3-(5-5,6,7,8-tetrahydro-[1,8]napht...) Show SMILES OC(=O)C(CNC(=O)CCCCc1ccc2CCCNc2n1)c1cnc2ccccc2c1 Show InChI InChI=1S/C25H28N4O3/c30-23(10-4-2-8-20-12-11-17-7-5-13-26-24(17)29-20)28-16-21(25(31)32)19-14-18-6-1-3-9-22(18)27-15-19/h1,3,6,9,11-12,14-15,21H,2,4-5,7-8,10,13,16H2,(H,26,29)(H,28,30)(H,31,32)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.820	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of binding to human integrin receptor alpha V beta3				Bioorg Med Chem Lett 12: 3483-6 (2002) BindingDB Entry DOI: 10.7270/Q26974S6
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50153025 (3-(3-Fluoro-phenyl)-9-(5,6,7,8-tetrahydro-[1,8]nap...) Show SMILES OC(=O)CC(CCCCCCc1ccc2CCCNc2n1)c1cccc(F)c1 Show InChI InChI=1S/C23H29FN2O2/c24-20-10-5-8-18(15-20)19(16-22(27)28)7-3-1-2-4-11-21-13-12-17-9-6-14-25-23(17)26-21/h5,8,10,12-13,15,19H,1-4,6-7,9,11,14,16H2,(H,25,26)(H,27,28)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.930	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against alpha v beta-3 receptor using scintillation proximity assay (SPAV3)				J Med Chem 47: 4829-37 (2004) Article DOI: 10.1021/jm049874c BindingDB Entry DOI: 10.7270/Q2CJ8FQC
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50121150 (2-(2,3-Dihydro-benzofuran-6-yl)-3-(5-5,6,7,8-tetra...) Show SMILES OC(=O)C(CNC(=O)CCCCc1ccc2CCCNc2n1)c1ccc2CCOc2c1 Show InChI InChI=1S/C24H29N3O4/c28-22(6-2-1-5-19-10-9-17-4-3-12-25-23(17)27-19)26-15-20(24(29)30)18-8-7-16-11-13-31-21(16)14-18/h7-10,14,20H,1-6,11-13,15H2,(H,25,27)(H,26,28)(H,29,30)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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 Inhibition of binding to human integrin receptor alpha V beta3				Bioorg Med Chem Lett 12: 3483-6 (2002) BindingDB Entry DOI: 10.7270/Q26974S6
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50116975 ((S)-3-Quinolin-3-yl-3-(5-5,6,7,8-tetrahydro-[1,8]n...) Show SMILES OC(=O)C[C@H](NC(=O)CCCCc1ccc2CCCNc2n1)c1cnc2ccccc2c1 Show InChI InChI=1S/C25H28N4O3/c30-23(10-4-2-8-20-12-11-17-7-5-13-26-25(17)28-20)29-22(15-24(31)32)19-14-18-6-1-3-9-21(18)27-16-19/h1,3,6,9,11-12,14,16,22H,2,4-5,7-8,10,13,15H2,(H,26,28)(H,29,30)(H,31,32)/t22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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 Inhibition of binding to human integrin receptor alpha V beta3				Bioorg Med Chem Lett 12: 3483-6 (2002) BindingDB Entry DOI: 10.7270/Q26974S6
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50107419 (3-(2,3-Dihydro-benzofuran-5-yl)-3-(2-{2-oxo-3-[2-(...) Show SMILES OC(=O)C[C@H](NC(=O)CN1CC[C@H](CCc2ccc3CCCNc3n2)C1=O)c1ccc2OCCc2c1 Show InChI InChI=1S/C27H32N4O5/c32-24(30-22(15-25(33)34)19-5-8-23-20(14-19)10-13-36-23)16-31-12-9-18(27(31)35)4-7-21-6-3-17-2-1-11-28-26(17)29-21/h3,5-6,8,14,18,22H,1-2,4,7,9-13,15-16H2,(H,28,29)(H,30,32)(H,33,34)/t18-,22-/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 Inhibition of high affinity radioligand binding to human alphaV-beta3 integrin				Bioorg Med Chem Lett 12: 31-4 (2001) BindingDB Entry DOI: 10.7270/Q24J0G8R
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50107420 (3-(3-Fluoro-phenyl)-3-(2-{2-oxo-3-[2-(5,6,7,8-tetr...) Show SMILES OC(=O)C[C@H](NC(=O)CN1CC[C@H](CCc2ccc3CCCNc3n2)C1=O)c1cccc(F)c1 Show InChI InChI=1S/C25H29FN4O4/c26-19-5-1-3-18(13-19)21(14-23(32)33)29-22(31)15-30-12-10-17(25(30)34)7-9-20-8-6-16-4-2-11-27-24(16)28-20/h1,3,5-6,8,13,17,21H,2,4,7,9-12,14-15H2,(H,27,28)(H,29,31)(H,32,33)/t17-,21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of high affinity radioligand binding to human alphaV-beta3 integrin				Bioorg Med Chem Lett 12: 31-4 (2001) BindingDB Entry DOI: 10.7270/Q24J0G8R
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50107416 (3-Benzo[b]thiophen-6-yl-3-(2-{2-oxo-3-[2-(5,6,7,8-...) Show SMILES OC(=O)C[C@H](NC(=O)CN1CC[C@H](CCc2ccc3CCCNc3n2)C1=O)c1ccc2ccsc2c1 Show InChI InChI=1S/C27H30N4O4S/c32-24(30-22(15-25(33)34)20-4-3-17-10-13-36-23(17)14-20)16-31-12-9-19(27(31)35)6-8-21-7-5-18-2-1-11-28-26(18)29-21/h3-5,7,10,13-14,19,22H,1-2,6,8-9,11-12,15-16H2,(H,28,29)(H,30,32)(H,33,34)/t19-,22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of high affinity radioligand binding to human alphaV-beta3 integrin				Bioorg Med Chem Lett 12: 31-4 (2001) BindingDB Entry DOI: 10.7270/Q24J0G8R
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50116981 ((S)-3-(2,3-Dihydro-benzofuran-6-yl)-3-(5-5,6,7,8-t...) Show SMILES OC(=O)C[C@H](NC(=O)CCCCc1ccc2CCCNc2n1)c1ccc2CCOc2c1 Show InChI InChI=1S/C24H29N3O4/c28-22(6-2-1-5-19-10-9-17-4-3-12-25-24(17)26-19)27-20(15-23(29)30)18-8-7-16-11-13-31-21(16)14-18/h7-10,14,20H,1-6,11-13,15H2,(H,25,26)(H,27,28)(H,29,30)/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of binding to human integrin receptor alpha V beta3				Bioorg Med Chem Lett 12: 3483-6 (2002) BindingDB Entry DOI: 10.7270/Q26974S6
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50134775 ((S)-3-(6-Methoxy-pyridin-3-yl)-3-{2-oxo-3-[3-oxo-3...) Show SMILES COc1ccc(cn1)[C@H](CC(O)=O)N1CCN(CCC(=O)c2ccc3CCCNc3n2)C1=O Show InChI InChI=1S/C23H27N5O5/c1-33-20-7-5-16(14-25-20)18(13-21(30)31)28-12-11-27(23(28)32)10-8-19(29)17-6-4-15-3-2-9-24-22(15)26-17/h4-7,14,18H,2-3,8-13H2,1H3,(H,24,26)(H,30,31)/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of alphaV-beta3 integrin binding				J Med Chem 46: 4790-8 (2003) Article DOI: 10.1021/jm030306r BindingDB Entry DOI: 10.7270/Q29K49N1
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50135968 (3-Pyrimidin-5-yl-3-(5-5,6,7,8-tetrahydro-[1,8]naph...) Show SMILES OC(=O)CC(NC(=O)CCCCc1ccc2CCCNc2n1)c1cncnc1 Show InChI InChI=1S/C20H25N5O3/c26-18(25-17(10-19(27)28)15-11-21-13-22-12-15)6-2-1-5-16-8-7-14-4-3-9-23-20(14)24-16/h7-8,11-13,17H,1-6,9-10H2,(H,23,24)(H,25,26)(H,27,28)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against alpha v beta-3 receptor using scintillation proximity assay (SPAV3)				J Med Chem 47: 4829-37 (2004) Article DOI: 10.1021/jm049874c BindingDB Entry DOI: 10.7270/Q2CJ8FQC
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50107406 (3-Benzothiazol-6-yl-3-(2-{2-oxo-3-[2-(5,6,7,8-tetr...) Show SMILES OC(=O)C[C@H](NC(=O)CN1CC[C@H](CCc2ccc3CCCNc3n2)C1=O)c1ccc2ncsc2c1 Show InChI InChI=1S/C26H29N5O4S/c32-23(30-21(13-24(33)34)18-5-8-20-22(12-18)36-15-28-20)14-31-11-9-17(26(31)35)4-7-19-6-3-16-2-1-10-27-25(16)29-19/h3,5-6,8,12,15,17,21H,1-2,4,7,9-11,13-14H2,(H,27,29)(H,30,32)(H,33,34)/t17-,21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of high affinity radioligand binding to human alphaV-beta3 integrin				Bioorg Med Chem Lett 12: 31-4 (2001) BindingDB Entry DOI: 10.7270/Q24J0G8R
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50107418 (3-(2-{2-Oxo-3-[2-(5,6,7,8-tetrahydro-[1,8]naphthyr...) Show SMILES OC(=O)C[C@H](NC(=O)CN1CC[C@H](CCc2ccc3CCCNc3n2)C1=O)c1ccccc1 Show InChI InChI=1S/C25H30N4O4/c30-22(28-21(15-23(31)32)17-5-2-1-3-6-17)16-29-14-12-19(25(29)33)9-11-20-10-8-18-7-4-13-26-24(18)27-20/h1-3,5-6,8,10,19,21H,4,7,9,11-16H2,(H,26,27)(H,28,30)(H,31,32)/t19-,21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of high affinity radioligand binding to human alphaV-beta3 integrin				Bioorg Med Chem Lett 12: 31-4 (2001) BindingDB Entry DOI: 10.7270/Q24J0G8R
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50107408 (3-(2,2-Difluoro-benzo[1,3]dioxol-5-yl)-3-(2-{2-oxo...) Show SMILES OC(=O)C[C@H](NC(=O)CN1CC[C@H](CCc2ccc3CCCNc3n2)C1=O)c1ccc2OC(F)(F)Oc2c1 Show InChI InChI=1S/C26H28F2N4O6/c27-26(28)37-20-8-5-17(12-21(20)38-26)19(13-23(34)35)31-22(33)14-32-11-9-16(25(32)36)4-7-18-6-3-15-2-1-10-29-24(15)30-18/h3,5-6,8,12,16,19H,1-2,4,7,9-11,13-14H2,(H,29,30)(H,31,33)(H,34,35)/t16-,19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.80	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of high affinity radioligand binding to human alphaV-beta3 integrin				Bioorg Med Chem Lett 12: 31-4 (2001) BindingDB Entry DOI: 10.7270/Q24J0G8R
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50153028 ((E)-3-(3-Fluoro-phenyl)-9-(5,6,7,8-tetrahydro-[1,8...) Show SMILES OC(=O)CC(\C=C\CCCCc1ccc2CCCNc2n1)c1cccc(F)c1 Show InChI InChI=1S/C23H27FN2O2/c24-20-10-5-8-18(15-20)19(16-22(27)28)7-3-1-2-4-11-21-13-12-17-9-6-14-25-23(17)26-21/h3,5,7-8,10,12-13,15,19H,1-2,4,6,9,11,14,16H2,(H,25,26)(H,27,28)/b7-3+	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against alpha v beta-3 receptor using scintillation proximity assay (SPAV3)				J Med Chem 47: 4829-37 (2004) Article DOI: 10.1021/jm049874c BindingDB Entry DOI: 10.7270/Q2CJ8FQC
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50121145 (2-(3-Fluoro-phenyl)-3-(5-5,6,7,8-tetrahydro-[1,8]n...) Show SMILES OC(=O)C(CNC(=O)CCCCc1ccc2CCCNc2n1)c1cccc(F)c1 Show InChI InChI=1S/C22H26FN3O3/c23-17-7-3-5-16(13-17)19(22(28)29)14-25-20(27)9-2-1-8-18-11-10-15-6-4-12-24-21(15)26-18/h3,5,7,10-11,13,19H,1-2,4,6,8-9,12,14H2,(H,24,26)(H,25,27)(H,28,29)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of binding to human integrin receptor alpha V beta3				Bioorg Med Chem Lett 12: 3483-6 (2002) BindingDB Entry DOI: 10.7270/Q26974S6
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50116974 ((S)-3-(3-Fluoro-phenyl)-3-(5-5,6,7,8-tetrahydro-[1...) Show SMILES OC(=O)C[C@H](NC(=O)CCCCc1ccc2CCCNc2n1)c1cccc(F)c1 Show InChI InChI=1S/C22H26FN3O3/c23-17-7-3-5-16(13-17)19(14-21(28)29)26-20(27)9-2-1-8-18-11-10-15-6-4-12-24-22(15)25-18/h3,5,7,10-11,13,19H,1-2,4,6,8-9,12,14H2,(H,24,25)(H,26,27)(H,28,29)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	22.7	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against alpha v beta-3 receptor using scintillation proximity assay (SPAV3)				J Med Chem 47: 4829-37 (2004) Article DOI: 10.1021/jm049874c BindingDB Entry DOI: 10.7270/Q2CJ8FQC
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50116974 ((S)-3-(3-Fluoro-phenyl)-3-(5-5,6,7,8-tetrahydro-[1...) Show SMILES OC(=O)C[C@H](NC(=O)CCCCc1ccc2CCCNc2n1)c1cccc(F)c1 Show InChI InChI=1S/C22H26FN3O3/c23-17-7-3-5-16(13-17)19(14-21(28)29)26-20(27)9-2-1-8-18-11-10-15-6-4-12-24-22(15)25-18/h3,5,7,10-11,13,19H,1-2,4,6,8-9,12,14H2,(H,24,25)(H,26,27)(H,28,29)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of binding to human integrin receptor alpha V beta3				Bioorg Med Chem Lett 12: 3483-6 (2002) BindingDB Entry DOI: 10.7270/Q26974S6
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50107409 (3-Indan-5-yl-3-(2-{2-oxo-3-[2-(5,6,7,8-tetrahydro-...) Show SMILES OC(=O)C[C@H](NC(=O)CN1CC[C@H](CCc2ccc3CCCNc3n2)C1=O)c1ccc2CCCc2c1 Show InChI InChI=1S/C28H34N4O4/c33-25(31-24(16-26(34)35)22-7-6-18-3-1-4-21(18)15-22)17-32-14-12-20(28(32)36)9-11-23-10-8-19-5-2-13-29-27(19)30-23/h6-8,10,15,20,24H,1-5,9,11-14,16-17H2,(H,29,30)(H,31,33)(H,34,35)/t20-,24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of high affinity radioligand binding to human alphaV-beta3 integrin				Bioorg Med Chem Lett 12: 31-4 (2001) BindingDB Entry DOI: 10.7270/Q24J0G8R
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50121149 (2-Phenyl-3-(5-5,6,7,8-tetrahydro-[1,8]naphthyridin...) Show SMILES OC(=O)C(CNC(=O)CCCCc1ccc2CCCNc2n1)c1ccccc1 Show InChI InChI=1S/C22H27N3O3/c26-20(24-15-19(22(27)28)16-7-2-1-3-8-16)11-5-4-10-18-13-12-17-9-6-14-23-21(17)25-18/h1-3,7-8,12-13,19H,4-6,9-11,14-15H2,(H,23,25)(H,24,26)(H,27,28)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of binding to human integrin receptor alpha V beta3				Bioorg Med Chem Lett 12: 3483-6 (2002) BindingDB Entry DOI: 10.7270/Q26974S6
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50121152 ((S)-3-Phenyl-3-(5-5,6,7,8-tetrahydro-[1,8]naphthyr...) Show SMILES OC(=O)C[C@H](NC(=O)CCCCc1ccc2CCCNc2n1)c1ccccc1 Show InChI InChI=1S/C22H27N3O3/c26-20(25-19(15-21(27)28)16-7-2-1-3-8-16)11-5-4-10-18-13-12-17-9-6-14-23-22(17)24-18/h1-3,7-8,12-13,19H,4-6,9-11,14-15H2,(H,23,24)(H,25,26)(H,27,28)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	84	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of binding to human integrin receptor alpha V beta3				Bioorg Med Chem Lett 12: 3483-6 (2002) BindingDB Entry DOI: 10.7270/Q26974S6
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50134781 ((S)-3-(6-Methoxy-pyridin-3-yl)-3-{2-oxo-3-[3-(7-ox...) Show SMILES COc1ccc(cn1)[C@H](CC(O)=O)N1CCN(CCCc2ccc3CCC(=O)Nc3n2)C1=O Show InChI InChI=1S/C23H27N5O5/c1-33-20-9-6-16(14-24-20)18(13-21(30)31)28-12-11-27(23(28)32)10-2-3-17-7-4-15-5-8-19(29)26-22(15)25-17/h4,6-7,9,14,18H,2-3,5,8,10-13H2,1H3,(H,30,31)(H,25,26,29)/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	141	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of alphaV-beta3 integrin binding				J Med Chem 46: 4790-8 (2003) Article DOI: 10.1021/jm030306r BindingDB Entry DOI: 10.7270/Q29K49N1
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50107414 (3-(2-{2-Oxo-3-[2-(5,6,7,8-tetrahydro-[1,8]naphthyr...) Show SMILES OC(=O)CCNC(=O)CN1CC[C@H](CCc2ccc3CCCNc3n2)C1=O Show InChI InChI=1S/C19H26N4O4/c24-16(20-10-7-17(25)26)12-23-11-8-14(19(23)27)4-6-15-5-3-13-2-1-9-21-18(13)22-15/h3,5,14H,1-2,4,6-12H2,(H,20,24)(H,21,22)(H,25,26)/t14-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of high affinity radioligand binding to human alphaV-beta3 integrin				Bioorg Med Chem Lett 12: 31-4 (2001) BindingDB Entry DOI: 10.7270/Q24J0G8R
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50134778 ((S)-3-(6-Methoxy-pyridin-3-yl)-3-{2-oxo-3-[3-(5,6,...) Show SMILES COc1ccc(cn1)[C@H](CC(O)=O)N1CCN(CCCc2ccc3CCCNc3n2)C1=O Show InChI InChI=1S/C23H29N5O4/c1-32-20-9-7-17(15-25-20)19(14-21(29)30)28-13-12-27(23(28)31)11-3-5-18-8-6-16-4-2-10-24-22(16)26-18/h6-9,15,19H,2-5,10-14H2,1H3,(H,24,26)(H,29,30)/t19-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.47E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of alphaIIb-beta3 integrin mediated platelet aggregation				J Med Chem 46: 4790-8 (2003) Article DOI: 10.1021/jm030306r BindingDB Entry DOI: 10.7270/Q29K49N1
					More data for this Ligand-Target Pair