Compile Data Set for Download or QSAR

Found 39 hits Enz. Inhib. hit(s) with all data for entry = 50014104   

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-5/beta-1 (Homo sapiens (Human))	BDBM50138318 ((5S,8S)-3-[(S)-2-Carboxy-2-(2,4,6-trimethyl-benzen...) Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](CNC(=O)C1=NO[C@@]2(C[C@@H](CNc3ccccn3)N(C2)C(=O)OCc2ccccc2)C1)C(O)=O |t:19| Show InChI InChI=1S/C33H38N6O8S/c1-21-13-22(2)29(23(3)14-21)48(44,45)38-27(31(41)42)18-36-30(40)26-16-33(47-37-26)15-25(17-35-28-11-7-8-12-34-28)39(20-33)32(43)46-19-24-9-5-4-6-10-24/h4-14,25,27,38H,15-20H2,1-3H3,(H,34,35)(H,36,40)(H,41,42)/t25-,27-,33-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.180	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Evaluated in an functional alpha-v beta-3 antagonism assay, involving adhesion of beta3-transfected 293 cells to fibrinogen (alpha-v beta-3 293 beta3...				Bioorg Med Chem Lett 14: 383-7 (2003) BindingDB Entry DOI: 10.7270/Q2571BFX
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-1 (Homo sapiens (Human))	BDBM50138313 ((5S,8S)-8-[(1H-Benzoimidazol-2-ylamino)-methyl]-3-...) Show SMILES CCCCOC(=O)N1C[C@]2(C[C@H]1CNc1nc3ccccc3[nH]1)CC(=NO2)C(=O)NC[C@H](NS(=O)(=O)c1c(C)cc(C)cc1C)C(O)=O |c:27| Show InChI InChI=1S/C32H41N7O8S/c1-5-6-11-46-31(43)39-18-32(14-22(39)16-34-30-35-23-9-7-8-10-24(23)36-30)15-25(37-47-32)28(40)33-17-26(29(41)42)38-48(44,45)27-20(3)12-19(2)13-21(27)4/h7-10,12-13,22,26,38H,5-6,11,14-18H2,1-4H3,(H,33,40)(H,41,42)(H2,34,35,36)/t22-,26-,32-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.390	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Evaluated in an functional alpha-v beta-3 antagonism assay, involving adhesion of beta3-transfected 293 cells to fibrinogen (alpha-v beta-3 293 beta3...				Bioorg Med Chem Lett 14: 383-7 (2003) BindingDB Entry DOI: 10.7270/Q2571BFX
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-1 (Homo sapiens (Human))	BDBM50138321 ((5S,8S)-8-[(1H-Benzoimidazol-2-ylamino)-methyl]-3-...) Show SMILES COC(=O)N1C[C@]2(C[C@H]1CNc1nc3ccccc3[nH]1)CC(=NO2)C(=O)NC[C@H](NS(=O)(=O)c1c(C)cc(C)cc1C)C(O)=O |c:24| Show InChI InChI=1S/C29H35N7O8S/c1-16-9-17(2)24(18(3)10-16)45(41,42)35-23(26(38)39)14-30-25(37)22-12-29(44-34-22)11-19(36(15-29)28(40)43-4)13-31-27-32-20-7-5-6-8-21(20)33-27/h5-10,19,23,35H,11-15H2,1-4H3,(H,30,37)(H,38,39)(H2,31,32,33)/t19-,23-,29-/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
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Alpha-5 beta-1 antagonism using an ELISA assay				Bioorg Med Chem Lett 14: 383-7 (2003) BindingDB Entry DOI: 10.7270/Q2571BFX
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-1 (Homo sapiens (Human))	BDBM50138310 ((5S,8S)-3-[(S)-2-Carboxy-2-(2,4,6-trimethyl-benzen...) Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](CNC(=O)C1=NO[C@@]2(C[C@@H](CNC3N=CC=N3)N(C2)C(=O)OCc2ccccc2)C1)C(O)=O |c:28,30,t:19| Show InChI InChI=1S/C31H37N7O8S/c1-19-11-20(2)26(21(3)12-19)47(43,44)37-25(28(40)41)16-34-27(39)24-14-31(46-36-24)13-23(15-35-29-32-9-10-33-29)38(18-31)30(42)45-17-22-7-5-4-6-8-22/h4-12,23,25,29,35,37H,13-18H2,1-3H3,(H,34,39)(H,40,41)/t23-,25-,31-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Evaluated in an functional alpha-v beta-3 antagonism assay, involving adhesion of beta3-transfected 293 cells to fibrinogen (alpha-v beta-3 293 beta3...				Bioorg Med Chem Lett 14: 383-7 (2003) BindingDB Entry DOI: 10.7270/Q2571BFX
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-1 (Homo sapiens (Human))	BDBM50138306 ((5S,8S)-3-[(S)-2-Carboxy-2-(2,4,6-trimethyl-benzen...) Show SMILES CCCCOC(=O)N1C[C@]2(C[C@H]1CNc1ncc[nH]1)CC(=NO2)C(=O)NC[C@H](NS(=O)(=O)c1c(C)cc(C)cc1C)C(O)=O |c:22| Show InChI InChI=1S/C28H39N7O8S/c1-5-6-9-42-27(39)35-16-28(12-20(35)14-32-26-29-7-8-30-26)13-21(33-43-28)24(36)31-15-22(25(37)38)34-44(40,41)23-18(3)10-17(2)11-19(23)4/h7-8,10-11,20,22,34H,5-6,9,12-16H2,1-4H3,(H,31,36)(H,37,38)(H2,29,30,32)/t20-,22-,28-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Alpha-5 beta-1 antagonism using an ELISA assay				Bioorg Med Chem Lett 14: 383-7 (2003) BindingDB Entry DOI: 10.7270/Q2571BFX
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-1 (Homo sapiens (Human))	BDBM50138324 ((S)-2-(3,5-Dichloro-biphenyl-4-sulfonyl)-3-({8-[(1...) Show SMILES OC(=O)[C@H](CNC(=O)C1=NOC2(C1)CCC(CNc1ncc[nH]1)CC2)S(=O)(=O)c1c(Cl)cc(cc1Cl)-c1ccccc1 |wU:3.2,t:8,(13,2.29,;11.67,3.06,;11.67,4.6,;10.32,2.3,;8.99,3.07,;7.66,2.3,;6.33,3.07,;6.33,4.61,;4.99,2.31,;4.83,.79,;3.32,.48,;2.57,1.81,;3.59,2.94,;1.78,.49,;.26,.49,;-.51,1.82,;-2.05,1.84,;-2.8,3.17,;-4.34,3.17,;-5.24,4.43,;-6.71,3.94,;-6.71,2.4,;-5.25,1.93,;.26,3.15,;1.8,3.14,;10.32,.76,;11.65,-.02,;8.99,-.01,;10.31,-.78,;8.97,-1.54,;7.64,-.75,;8.96,-3.08,;10.29,-3.86,;11.63,-3.09,;11.63,-1.55,;12.96,-.78,;10.29,-5.4,;11.6,-6.17,;11.6,-7.7,;10.27,-8.48,;8.94,-7.7,;8.94,-6.16,)| Show InChI InChI=1S/C28H29Cl2N5O6S/c29-20-12-19(18-4-2-1-3-5-18)13-21(30)24(20)42(39,40)23(26(37)38)16-33-25(36)22-14-28(41-35-22)8-6-17(7-9-28)15-34-27-31-10-11-32-27/h1-5,10-13,17,23H,6-9,14-16H2,(H,33,36)(H,37,38)(H2,31,32,34)/t17?,23-,28?/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Evaluated in an functional alpha-v beta-3 antagonism assay, involving adhesion of beta3-transfected 293 cells to fibrinogen (alpha-v beta-3 293 beta3...				Bioorg Med Chem Lett 14: 383-7 (2003) BindingDB Entry DOI: 10.7270/Q2571BFX
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-1 (Homo sapiens (Human))	BDBM50138319 ((5S,8S)-3-[(S)-2-Carboxy-2-(2,4,6-trimethyl-benzen...) Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](CNC(=O)C1=NO[C@@]2(C[C@@H](CNc3ncc[nH]3)N(C2)C(=O)OCc2ccccc2)C1)C(O)=O |t:19| Show InChI InChI=1S/C31H37N7O8S/c1-19-11-20(2)26(21(3)12-19)47(43,44)37-25(28(40)41)16-34-27(39)24-14-31(46-36-24)13-23(15-35-29-32-9-10-33-29)38(18-31)30(42)45-17-22-7-5-4-6-8-22/h4-12,23,25,37H,13-18H2,1-3H3,(H,34,39)(H,40,41)(H2,32,33,35)/t23-,25-,31-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Evaluated in an functional alpha-v beta-3 antagonism assay, involving adhesion of beta3-transfected 293 cells to fibrinogen (alpha-v beta-3 293 beta3...				Bioorg Med Chem Lett 14: 383-7 (2003) BindingDB Entry DOI: 10.7270/Q2571BFX
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-1 (Homo sapiens (Human))	BDBM50138323 ((5S,8S)-3-[(S)-2-Carboxy-2-(2,4,6-trimethyl-benzen...) Show SMILES COC(=O)N1C[C@]2(C[C@H]1CNc1ncc[nH]1)CC(=NO2)C(=O)NC[C@H](NS(=O)(=O)c1c(C)cc(C)cc1C)C(O)=O |c:19| Show InChI InChI=1S/C25H33N7O8S/c1-14-7-15(2)20(16(3)8-14)41(37,38)31-19(22(34)35)12-28-21(33)18-10-25(40-30-18)9-17(32(13-25)24(36)39-4)11-29-23-26-5-6-27-23/h5-8,17,19,31H,9-13H2,1-4H3,(H,28,33)(H,34,35)(H2,26,27,29)/t17-,19-,25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Evaluated in an functional alpha-v beta-3 antagonism assay, involving adhesion of beta3-transfected 293 cells to fibrinogen (alpha-v beta-3 293 beta3...				Bioorg Med Chem Lett 14: 383-7 (2003) BindingDB Entry DOI: 10.7270/Q2571BFX
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-1 (Homo sapiens (Human))	BDBM50138308 ((5S,8S)-3-[(S)-2-Carboxy-2-(2,4,6-trimethyl-benzen...) Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](CNC(=O)C1=NO[C@@]2(C[C@@H](CNc3ncc[nH]3)N(C2)C(=O)OCc2cccnc2)C1)C(O)=O |t:19| Show InChI InChI=1S/C30H36N8O8S/c1-18-9-19(2)25(20(3)10-18)47(43,44)37-24(27(40)41)15-34-26(39)23-12-30(46-36-23)11-22(14-35-28-32-7-8-33-28)38(17-30)29(42)45-16-21-5-4-6-31-13-21/h4-10,13,22,24,37H,11-12,14-17H2,1-3H3,(H,34,39)(H,40,41)(H2,32,33,35)/t22-,24-,30-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Evaluated in an functional alpha-v beta-3 antagonism assay, involving adhesion of beta3-transfected 293 cells to fibrinogen (alpha-v beta-3 293 beta3...				Bioorg Med Chem Lett 14: 383-7 (2003) BindingDB Entry DOI: 10.7270/Q2571BFX
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-1 (Homo sapiens (Human))	BDBM50138314 ((S)-2-(2,6-Dichloro-benzenesulfonyl)-3-({8-[(1H-im...) Show SMILES OC(=O)[C@H](CNC(=O)C1=NOC2(C1)CCC(CNc1ncc[nH]1)CC2)S(=O)(=O)c1c(Cl)cccc1Cl |wU:3.2,t:8,(17.13,-1.91,;15.8,-1.14,;15.8,.4,;14.45,-1.9,;13.12,-1.13,;11.79,-1.9,;10.46,-1.13,;10.46,.41,;9.12,-1.89,;8.96,-3.41,;7.45,-3.72,;6.7,-2.39,;7.72,-1.26,;5.91,-3.71,;4.39,-3.71,;3.62,-2.38,;2.08,-2.36,;1.33,-1.03,;-.21,-1.03,;-1.11,.23,;-2.58,-.26,;-2.58,-1.8,;-1.12,-2.27,;4.39,-1.05,;5.94,-1.06,;14.45,-3.44,;13.12,-4.21,;15.78,-4.22,;14.44,-4.98,;15.76,-5.75,;17.09,-4.98,;15.76,-7.29,;14.42,-8.06,;13.09,-7.28,;13.1,-5.74,;11.77,-4.96,)| Show InChI InChI=1S/C22H25Cl2N5O6S/c23-14-2-1-3-15(24)18(14)36(33,34)17(20(31)32)12-27-19(30)16-10-22(35-29-16)6-4-13(5-7-22)11-28-21-25-8-9-26-21/h1-3,8-9,13,17H,4-7,10-12H2,(H,27,30)(H,31,32)(H2,25,26,28)/t13?,17-,22?/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Alpha-5 beta-1 antagonism using an ELISA assay				Bioorg Med Chem Lett 14: 383-7 (2003) BindingDB Entry DOI: 10.7270/Q2571BFX
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-1 (Homo sapiens (Human))	BDBM50138321 ((5S,8S)-8-[(1H-Benzoimidazol-2-ylamino)-methyl]-3-...) Show SMILES COC(=O)N1C[C@]2(C[C@H]1CNc1nc3ccccc3[nH]1)CC(=NO2)C(=O)NC[C@H](NS(=O)(=O)c1c(C)cc(C)cc1C)C(O)=O |c:24| Show InChI InChI=1S/C29H35N7O8S/c1-16-9-17(2)24(18(3)10-16)45(41,42)35-23(26(38)39)14-30-25(37)22-12-29(44-34-22)11-19(36(15-29)28(40)43-4)13-31-27-32-20-7-5-6-8-21(20)33-27/h5-10,19,23,35H,11-15H2,1-4H3,(H,30,37)(H,38,39)(H2,31,32,33)/t19-,23-,29-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Evaluated in an functional alpha-v beta-3 antagonism assay, involving adhesion of beta3-transfected 293 cells to fibrinogen (alpha-v beta-3 293 beta3...				Bioorg Med Chem Lett 14: 383-7 (2003) BindingDB Entry DOI: 10.7270/Q2571BFX
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-1 (Homo sapiens (Human))	BDBM50138308 ((5S,8S)-3-[(S)-2-Carboxy-2-(2,4,6-trimethyl-benzen...) Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](CNC(=O)C1=NO[C@@]2(C[C@@H](CNc3ncc[nH]3)N(C2)C(=O)OCc2cccnc2)C1)C(O)=O |t:19| Show InChI InChI=1S/C30H36N8O8S/c1-18-9-19(2)25(20(3)10-18)47(43,44)37-24(27(40)41)15-34-26(39)23-12-30(46-36-23)11-22(14-35-28-32-7-8-33-28)38(17-30)29(42)45-16-21-5-4-6-31-13-21/h4-10,13,22,24,37H,11-12,14-17H2,1-3H3,(H,34,39)(H,40,41)(H2,32,33,35)/t22-,24-,30-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Alpha-5 beta-1 antagonism using an ELISA assay				Bioorg Med Chem Lett 14: 383-7 (2003) BindingDB Entry DOI: 10.7270/Q2571BFX
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-1 (Homo sapiens (Human))	BDBM50138319 ((5S,8S)-3-[(S)-2-Carboxy-2-(2,4,6-trimethyl-benzen...) Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](CNC(=O)C1=NO[C@@]2(C[C@@H](CNc3ncc[nH]3)N(C2)C(=O)OCc2ccccc2)C1)C(O)=O |t:19| Show InChI InChI=1S/C31H37N7O8S/c1-19-11-20(2)26(21(3)12-19)47(43,44)37-25(28(40)41)16-34-27(39)24-14-31(46-36-24)13-23(15-35-29-32-9-10-33-29)38(18-31)30(42)45-17-22-7-5-4-6-8-22/h4-12,23,25,37H,13-18H2,1-3H3,(H,34,39)(H,40,41)(H2,32,33,35)/t23-,25-,31-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Alpha-5 beta-1 antagonism using an ELISA assay				Bioorg Med Chem Lett 14: 383-7 (2003) BindingDB Entry DOI: 10.7270/Q2571BFX
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-1 (Homo sapiens (Human))	BDBM50138318 ((5S,8S)-3-[(S)-2-Carboxy-2-(2,4,6-trimethyl-benzen...) Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](CNC(=O)C1=NO[C@@]2(C[C@@H](CNc3ccccn3)N(C2)C(=O)OCc2ccccc2)C1)C(O)=O |t:19| Show InChI InChI=1S/C33H38N6O8S/c1-21-13-22(2)29(23(3)14-21)48(44,45)38-27(31(41)42)18-36-30(40)26-16-33(47-37-26)15-25(17-35-28-11-7-8-12-34-28)39(20-33)32(43)46-19-24-9-5-4-6-10-24/h4-14,25,27,38H,15-20H2,1-3H3,(H,34,35)(H,36,40)(H,41,42)/t25-,27-,33-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Alpha-5 beta-1 antagonism using an ELISA assay				Bioorg Med Chem Lett 14: 383-7 (2003) BindingDB Entry DOI: 10.7270/Q2571BFX
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-1 (Homo sapiens (Human))	BDBM50138316 ((S)-2-(2,6-Dimethyl-benzenesulfonyl)-3-({8-[(1H-im...) Show SMILES Cc1cccc(C)c1S(=O)(=O)[C@@H](CNC(=O)C1=NOC2(C1)CCC(CNc1ncc[nH]1)CC2)C(O)=O |wU:11.36,t:17,(16.18,-5.47,;14.85,-6.23,;14.85,-7.77,;13.5,-8.54,;12.17,-7.77,;12.17,-6.23,;10.83,-5.45,;13.52,-5.47,;13.52,-3.93,;12.19,-4.7,;14.87,-4.71,;13.54,-2.38,;12.21,-1.61,;10.86,-2.37,;9.52,-1.6,;9.54,-.05,;8.19,-2.37,;8.03,-3.89,;6.52,-4.21,;5.76,-2.88,;6.79,-1.74,;4.98,-4.19,;3.46,-4.19,;2.69,-2.86,;1.15,-2.85,;.38,-1.52,;-1.16,-1.52,;-2.07,-.26,;-3.55,-.73,;-3.55,-2.28,;-2.07,-2.74,;3.46,-1.53,;4.99,-1.53,;14.88,-1.62,;16.21,-2.39,;14.88,-.08,)| Show InChI InChI=1S/C24H31N5O6S/c1-15-4-3-5-16(2)20(15)36(33,34)19(22(31)32)14-27-21(30)18-12-24(35-29-18)8-6-17(7-9-24)13-28-23-25-10-11-26-23/h3-5,10-11,17,19H,6-9,12-14H2,1-2H3,(H,27,30)(H,31,32)(H2,25,26,28)/t17?,19-,24?/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Evaluated in an functional alpha-v beta-3 antagonism assay, involving adhesion of beta3-transfected 293 cells to fibrinogen (alpha-v beta-3 293 beta3...				Bioorg Med Chem Lett 14: 383-7 (2003) BindingDB Entry DOI: 10.7270/Q2571BFX
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-1 (Homo sapiens (Human))	BDBM50138310 ((5S,8S)-3-[(S)-2-Carboxy-2-(2,4,6-trimethyl-benzen...) Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](CNC(=O)C1=NO[C@@]2(C[C@@H](CNC3N=CC=N3)N(C2)C(=O)OCc2ccccc2)C1)C(O)=O |c:28,30,t:19| Show InChI InChI=1S/C31H37N7O8S/c1-19-11-20(2)26(21(3)12-19)47(43,44)37-25(28(40)41)16-34-27(39)24-14-31(46-36-24)13-23(15-35-29-32-9-10-33-29)38(18-31)30(42)45-17-22-7-5-4-6-8-22/h4-12,23,25,29,35,37H,13-18H2,1-3H3,(H,34,39)(H,40,41)/t23-,25-,31-/m0/s1	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
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Alpha-5 beta-1 antagonism using an ELISA assay				Bioorg Med Chem Lett 14: 383-7 (2003) BindingDB Entry DOI: 10.7270/Q2571BFX
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-1 (Homo sapiens (Human))	BDBM50138323 ((5S,8S)-3-[(S)-2-Carboxy-2-(2,4,6-trimethyl-benzen...) Show SMILES COC(=O)N1C[C@]2(C[C@H]1CNc1ncc[nH]1)CC(=NO2)C(=O)NC[C@H](NS(=O)(=O)c1c(C)cc(C)cc1C)C(O)=O |c:19| Show InChI InChI=1S/C25H33N7O8S/c1-14-7-15(2)20(16(3)8-14)41(37,38)31-19(22(34)35)12-28-21(33)18-10-25(40-30-18)9-17(32(13-25)24(36)39-4)11-29-23-26-5-6-27-23/h5-8,17,19,31H,9-13H2,1-4H3,(H,28,33)(H,34,35)(H2,26,27,29)/t17-,19-,25-/m0/s1	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
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Evaluated in an functional alpha-v beta-3 antagonism assay, involving adhesion of beta3-transfected 293 cells to fibrinogen (alpha-v beta-3 293 beta3...				Bioorg Med Chem Lett 14: 383-7 (2003) BindingDB Entry DOI: 10.7270/Q2571BFX
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-1 (Homo sapiens (Human))	BDBM50138320 ((5S,8S)-8-[(1H-Benzoimidazol-2-ylamino)-methyl]-3-...) Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](CNC(=O)C1=NO[C@@]2(C[C@@H](CNc3nc4ccccc4[nH]3)N(C2)C(=O)OCc2ccccc2)C1)C(O)=O |t:19| Show InChI InChI=1S/C35H39N7O8S/c1-21-13-22(2)30(23(3)14-21)51(47,48)41-29(32(44)45)18-36-31(43)28-16-35(50-40-28)15-25(17-37-33-38-26-11-7-8-12-27(26)39-33)42(20-35)34(46)49-19-24-9-5-4-6-10-24/h4-14,25,29,41H,15-20H2,1-3H3,(H,36,43)(H,44,45)(H2,37,38,39)/t25-,29-,35-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Alpha-5 beta-1 antagonism using an ELISA assay				Bioorg Med Chem Lett 14: 383-7 (2003) BindingDB Entry DOI: 10.7270/Q2571BFX
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-1 (Homo sapiens (Human))	BDBM50138313 ((5S,8S)-8-[(1H-Benzoimidazol-2-ylamino)-methyl]-3-...) Show SMILES CCCCOC(=O)N1C[C@]2(C[C@H]1CNc1nc3ccccc3[nH]1)CC(=NO2)C(=O)NC[C@H](NS(=O)(=O)c1c(C)cc(C)cc1C)C(O)=O |c:27| Show InChI InChI=1S/C32H41N7O8S/c1-5-6-11-46-31(43)39-18-32(14-22(39)16-34-30-35-23-9-7-8-10-24(23)36-30)15-25(37-47-32)28(40)33-17-26(29(41)42)38-48(44,45)27-20(3)12-19(2)13-21(27)4/h7-10,12-13,22,26,38H,5-6,11,14-18H2,1-4H3,(H,33,40)(H,41,42)(H2,34,35,36)/t22-,26-,32-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	87	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Alpha-5 beta-1 antagonism using an ELISA assay				Bioorg Med Chem Lett 14: 383-7 (2003) BindingDB Entry DOI: 10.7270/Q2571BFX
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-1 (Homo sapiens (Human))	BDBM50138315 ((S)-2-(3,5-Dimethyl-biphenyl-4-sulfonyl)-3-({8-[(1...) Show SMILES Cc1cc(cc(C)c1S(=O)(=O)[C@@H](CNC(=O)C1=NOC2(C1)CCC(CNc1ncc[nH]1)CC2)C(O)=O)-c1ccccc1 |t:17| Show InChI InChI=1S/C30H35N5O6S/c1-19-14-23(22-6-4-3-5-7-22)15-20(2)26(19)42(39,40)25(28(37)38)18-33-27(36)24-16-30(41-35-24)10-8-21(9-11-30)17-34-29-31-12-13-32-29/h3-7,12-15,21,25H,8-11,16-18H2,1-2H3,(H,33,36)(H,37,38)(H2,31,32,34)/t21?,25-,30?/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Evaluated in an functional alpha-v beta-3 antagonism assay, involving adhesion of beta3-transfected 293 cells to fibrinogen (alpha-v beta-3 293 beta3...				Bioorg Med Chem Lett 14: 383-7 (2003) BindingDB Entry DOI: 10.7270/Q2571BFX
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-1 (Homo sapiens (Human))	BDBM50138322 ((S)-3-{[8-(1H-Imidazol-2-ylcarbamoyl)-1-oxa-2-aza-...) Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)[C@@H](CNC(=O)C1=NOC2(C1)CCC(CC2)C(=O)Nc1ncc[nH]1)C(O)=O |t:18| Show InChI InChI=1S/C25H31N5O7S/c1-14-10-15(2)20(16(3)11-14)38(35,36)19(23(33)34)13-28-22(32)18-12-25(37-30-18)6-4-17(5-7-25)21(31)29-24-26-8-9-27-24/h8-11,17,19H,4-7,12-13H2,1-3H3,(H,28,32)(H,33,34)(H2,26,27,29,31)/t17?,19-,25?/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	106	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of platelet aggregation in human platelet-rich plasma by alphaIIb-beta3 integrin				Bioorg Med Chem Lett 14: 383-7 (2003) BindingDB Entry DOI: 10.7270/Q2571BFX
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-1 (Homo sapiens (Human))	BDBM50138306 ((5S,8S)-3-[(S)-2-Carboxy-2-(2,4,6-trimethyl-benzen...) Show SMILES CCCCOC(=O)N1C[C@]2(C[C@H]1CNc1ncc[nH]1)CC(=NO2)C(=O)NC[C@H](NS(=O)(=O)c1c(C)cc(C)cc1C)C(O)=O |c:22| Show InChI InChI=1S/C28H39N7O8S/c1-5-6-9-42-27(39)35-16-28(12-20(35)14-32-26-29-7-8-30-26)13-21(33-43-28)24(36)31-15-22(25(37)38)34-44(40,41)23-18(3)10-17(2)11-19(23)4/h7-8,10-11,20,22,34H,5-6,9,12-16H2,1-4H3,(H,31,36)(H,37,38)(H2,29,30,32)/t20-,22-,28-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Evaluated in an functional alpha-v beta-3 antagonism assay, involving adhesion of beta3-transfected 293 cells to fibrinogen (alpha-v beta-3 293 beta3...				Bioorg Med Chem Lett 14: 383-7 (2003) BindingDB Entry DOI: 10.7270/Q2571BFX
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-1 (Homo sapiens (Human))	BDBM50138309 ((S)-2-Benzenesulfonyl-3-({8-[(1H-imidazol-2-ylamin...) Show SMILES OC(=O)[C@H](CNC(=O)C1=NOC2(C1)CCC(CNc1ncc[nH]1)CC2)S(=O)(=O)c1ccccc1 |wU:3.2,t:8,(18.08,-.28,;16.75,.49,;16.75,2.03,;15.41,-.27,;14.08,.51,;12.73,-.27,;11.39,.51,;11.41,2.05,;10.06,-.26,;9.9,-1.78,;8.39,-2.09,;7.63,-.76,;8.66,.37,;6.85,-2.08,;5.33,-2.08,;4.56,-.75,;3.02,-.73,;2.25,.6,;.71,.6,;-.2,1.86,;-1.68,1.38,;-1.68,-.16,;-.2,-.64,;5.33,.58,;6.86,.58,;15.39,-1.81,;14.06,-2.58,;16.74,-2.6,;15.39,-3.35,;16.72,-4.12,;16.72,-5.67,;15.37,-6.44,;14.04,-5.66,;14.04,-4.12,)| Show InChI InChI=1S/C22H27N5O6S/c28-19(25-14-18(20(29)30)34(31,32)16-4-2-1-3-5-16)17-12-22(33-27-17)8-6-15(7-9-22)13-26-21-23-10-11-24-21/h1-5,10-11,15,18H,6-9,12-14H2,(H,25,28)(H,29,30)(H2,23,24,26)/t15?,18-,22?/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Evaluated in an functional alpha-v beta-3 antagonism assay, involving adhesion of beta3-transfected 293 cells to fibrinogen (alpha-v beta-3 293 beta3...				Bioorg Med Chem Lett 14: 383-7 (2003) BindingDB Entry DOI: 10.7270/Q2571BFX
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-1 (Homo sapiens (Human))	BDBM50138307 ((S)-3-({8-[(1,4,5,6-Tetrahydro-pyrimidin-2-ylamino...) Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)[C@@H](CNC(=O)C1=NOC2(C1)CCC(CNC1=NCCCN1)CC2)C(O)=O |wU:12.38,t:18,29,(17.72,-7.89,;17.73,-6.34,;19.08,-5.57,;19.08,-4.03,;20.41,-3.26,;17.75,-3.26,;16.4,-4.02,;15.07,-3.23,;16.4,-5.56,;17.75,-1.71,;19.09,-2.5,;16.42,-2.49,;17.77,-.17,;16.44,.6,;15.09,-.17,;13.76,.6,;13.77,2.14,;12.42,-.16,;12.26,-1.69,;10.76,-2,;9.99,-.66,;11.02,.47,;9.22,.67,;7.69,.68,;6.92,-.64,;5.38,-.64,;4.61,.69,;3.07,.69,;2.3,2.03,;.76,2.03,;-.02,.69,;.76,-.64,;2.3,-.64,;7.69,-1.97,;9.21,-1.99,;19.11,.58,;20.44,-.17,;19.11,2.13,)| Show InChI InChI=1S/C26H37N5O6S/c1-16-11-17(2)22(18(3)12-16)38(35,36)21(24(33)34)15-29-23(32)20-13-26(37-31-20)7-5-19(6-8-26)14-30-25-27-9-4-10-28-25/h11-12,19,21H,4-10,13-15H2,1-3H3,(H,29,32)(H,33,34)(H2,27,28,30)/t19?,21-,26?/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Evaluated in an functional alpha-v beta-3 antagonism assay, involving adhesion of beta3-transfected 293 cells to fibrinogen (alpha-v beta-3 293 beta3...				Bioorg Med Chem Lett 14: 383-7 (2003) BindingDB Entry DOI: 10.7270/Q2571BFX
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-1 (Homo sapiens (Human))	BDBM50138311 ((S)-3-({8-[(1H-Imidazol-2-ylamino)-methyl]-1-oxa-2...) Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)[C@@H](CNC(=O)C1=NOC2(C1)CCC(CNc1ncc[nH]1)CC2)C(O)=O |wU:12.37,t:18,(10.17,-7.03,;10.18,-5.49,;11.52,-4.72,;11.52,-3.18,;12.85,-2.41,;10.2,-2.41,;8.86,-3.16,;7.53,-2.39,;8.85,-4.7,;10.21,-.87,;8.88,-1.64,;11.54,-1.64,;10.21,.67,;8.88,1.44,;7.55,.68,;6.22,1.45,;6.22,2.99,;4.88,.69,;4.72,-.84,;3.21,-1.15,;2.45,.18,;3.48,1.32,;1.68,-1.13,;.15,-1.13,;-.61,.2,;-2.15,.2,;-2.92,1.53,;-4.46,1.53,;-5.36,2.79,;-6.83,2.33,;-6.83,.79,;-5.37,.3,;.15,1.53,;1.69,1.52,;11.56,1.44,;12.89,.67,;11.56,2.98,)| Show InChI InChI=1S/C25H33N5O6S/c1-15-10-16(2)21(17(3)11-15)37(34,35)20(23(32)33)14-28-22(31)19-12-25(36-30-19)6-4-18(5-7-25)13-29-24-26-8-9-27-24/h8-11,18,20H,4-7,12-14H2,1-3H3,(H,28,31)(H,32,33)(H2,26,27,29)/t18?,20-,25?/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Alpha-5 beta-1 antagonism using an ELISA assay				Bioorg Med Chem Lett 14: 383-7 (2003) BindingDB Entry DOI: 10.7270/Q2571BFX
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-1 (Homo sapiens (Human))	BDBM50138317 ((S)-3-({8-[(1H-Benzoimidazol-2-ylamino)-methyl]-1-...) Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)[C@@H](CNC(=O)C1=NOC2(C1)CCC(CNc1nc3ccccc3[nH]1)CC2)C(O)=O |wU:12.42,t:18,(18.93,-7.62,;18.93,-6.08,;20.29,-5.31,;20.29,-3.77,;21.62,-3,;18.97,-3,;17.63,-3.76,;16.3,-2.97,;17.62,-5.3,;18.98,-1.45,;17.65,-2.22,;20.31,-2.24,;18.98,.09,;17.65,.86,;16.32,.09,;14.99,.86,;14.99,2.4,;13.65,.09,;13.49,-1.43,;11.98,-1.73,;11.23,-.4,;12.25,.72,;10.44,-1.73,;8.92,-1.71,;8.15,-.38,;6.61,-.38,;5.86,.95,;4.32,.95,;3.42,2.21,;1.94,1.74,;.61,2.51,;-.74,1.74,;-.72,.18,;.61,-.58,;1.94,.19,;3.41,-.29,;8.92,.93,;10.46,.93,;20.33,.84,;21.66,.07,;20.33,2.38,)| Show InChI InChI=1S/C29H35N5O6S/c1-17-12-18(2)25(19(3)13-17)41(38,39)24(27(36)37)16-30-26(35)23-14-29(40-34-23)10-8-20(9-11-29)15-31-28-32-21-6-4-5-7-22(21)33-28/h4-7,12-13,20,24H,8-11,14-16H2,1-3H3,(H,30,35)(H,36,37)(H2,31,32,33)/t20?,24-,29?/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Alpha-5 beta-1 antagonism using an ELISA assay				Bioorg Med Chem Lett 14: 383-7 (2003) BindingDB Entry DOI: 10.7270/Q2571BFX
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-1 (Homo sapiens (Human))	BDBM50138312 ((S)-3-({(5S,8S)-8-[(1H-Imidazol-2-ylamino)-methyl]...) Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](CNC(=O)C1=NO[C@]2(CN[C@H](CNc3ncc[nH]3)C2)C1)C(O)=O |t:19| Show InChI InChI=1S/C23H31N7O6S/c1-13-6-14(2)19(15(3)7-13)37(34,35)30-18(21(32)33)11-26-20(31)17-9-23(36-29-17)8-16(28-12-23)10-27-22-24-4-5-25-22/h4-7,16,18,28,30H,8-12H2,1-3H3,(H,26,31)(H,32,33)(H2,24,25,27)/t16-,18-,23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Alpha-5 beta-1 antagonism using an ELISA assay				Bioorg Med Chem Lett 14: 383-7 (2003) BindingDB Entry DOI: 10.7270/Q2571BFX
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-1 (Homo sapiens (Human))	BDBM50138312 ((S)-3-({(5S,8S)-8-[(1H-Imidazol-2-ylamino)-methyl]...) Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](CNC(=O)C1=NO[C@]2(CN[C@H](CNc3ncc[nH]3)C2)C1)C(O)=O |t:19| Show InChI InChI=1S/C23H31N7O6S/c1-13-6-14(2)19(15(3)7-13)37(34,35)30-18(21(32)33)11-26-20(31)17-9-23(36-29-17)8-16(28-12-23)10-27-22-24-4-5-25-22/h4-7,16,18,28,30H,8-12H2,1-3H3,(H,26,31)(H,32,33)(H2,24,25,27)/t16-,18-,23-/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
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Evaluated in an functional alpha-v beta-3 antagonism assay, involving adhesion of beta3-transfected 293 cells to fibrinogen (alpha-v beta-3 293 beta3...				Bioorg Med Chem Lett 14: 383-7 (2003) BindingDB Entry DOI: 10.7270/Q2571BFX
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-1 (Homo sapiens (Human))	BDBM50138324 ((S)-2-(3,5-Dichloro-biphenyl-4-sulfonyl)-3-({8-[(1...) Show SMILES OC(=O)[C@H](CNC(=O)C1=NOC2(C1)CCC(CNc1ncc[nH]1)CC2)S(=O)(=O)c1c(Cl)cc(cc1Cl)-c1ccccc1 |wU:3.2,t:8,(13,2.29,;11.67,3.06,;11.67,4.6,;10.32,2.3,;8.99,3.07,;7.66,2.3,;6.33,3.07,;6.33,4.61,;4.99,2.31,;4.83,.79,;3.32,.48,;2.57,1.81,;3.59,2.94,;1.78,.49,;.26,.49,;-.51,1.82,;-2.05,1.84,;-2.8,3.17,;-4.34,3.17,;-5.24,4.43,;-6.71,3.94,;-6.71,2.4,;-5.25,1.93,;.26,3.15,;1.8,3.14,;10.32,.76,;11.65,-.02,;8.99,-.01,;10.31,-.78,;8.97,-1.54,;7.64,-.75,;8.96,-3.08,;10.29,-3.86,;11.63,-3.09,;11.63,-1.55,;12.96,-.78,;10.29,-5.4,;11.6,-6.17,;11.6,-7.7,;10.27,-8.48,;8.94,-7.7,;8.94,-6.16,)| Show InChI InChI=1S/C28H29Cl2N5O6S/c29-20-12-19(18-4-2-1-3-5-18)13-21(30)24(20)42(39,40)23(26(37)38)16-33-25(36)22-14-28(41-35-22)8-6-17(7-9-28)15-34-27-31-10-11-32-27/h1-5,10-13,17,23H,6-9,14-16H2,(H,33,36)(H,37,38)(H2,31,32,34)/t17?,23-,28?/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Evaluated in an functional alpha-v beta-3 antagonism assay, involving adhesion of beta3-transfected 293 cells to fibrinogen (alpha-v beta-3 293 beta3...				Bioorg Med Chem Lett 14: 383-7 (2003) BindingDB Entry DOI: 10.7270/Q2571BFX
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-1 (Homo sapiens (Human))	BDBM50138317 ((S)-3-({8-[(1H-Benzoimidazol-2-ylamino)-methyl]-1-...) Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)[C@@H](CNC(=O)C1=NOC2(C1)CCC(CNc1nc3ccccc3[nH]1)CC2)C(O)=O |wU:12.42,t:18,(18.93,-7.62,;18.93,-6.08,;20.29,-5.31,;20.29,-3.77,;21.62,-3,;18.97,-3,;17.63,-3.76,;16.3,-2.97,;17.62,-5.3,;18.98,-1.45,;17.65,-2.22,;20.31,-2.24,;18.98,.09,;17.65,.86,;16.32,.09,;14.99,.86,;14.99,2.4,;13.65,.09,;13.49,-1.43,;11.98,-1.73,;11.23,-.4,;12.25,.72,;10.44,-1.73,;8.92,-1.71,;8.15,-.38,;6.61,-.38,;5.86,.95,;4.32,.95,;3.42,2.21,;1.94,1.74,;.61,2.51,;-.74,1.74,;-.72,.18,;.61,-.58,;1.94,.19,;3.41,-.29,;8.92,.93,;10.46,.93,;20.33,.84,;21.66,.07,;20.33,2.38,)| Show InChI InChI=1S/C29H35N5O6S/c1-17-12-18(2)25(19(3)13-17)41(38,39)24(27(36)37)16-30-26(35)23-14-29(40-34-23)10-8-20(9-11-29)15-31-28-32-21-6-4-5-7-22(21)33-28/h4-7,12-13,20,24H,8-11,14-16H2,1-3H3,(H,30,35)(H,36,37)(H2,31,32,33)/t20?,24-,29?/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Alpha-5 beta-1 antagonism using an ELISA assay				Bioorg Med Chem Lett 14: 383-7 (2003) BindingDB Entry DOI: 10.7270/Q2571BFX
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-1 (Homo sapiens (Human))	BDBM50138315 ((S)-2-(3,5-Dimethyl-biphenyl-4-sulfonyl)-3-({8-[(1...) Show SMILES Cc1cc(cc(C)c1S(=O)(=O)[C@@H](CNC(=O)C1=NOC2(C1)CCC(CNc1ncc[nH]1)CC2)C(O)=O)-c1ccccc1 |t:17| Show InChI InChI=1S/C30H35N5O6S/c1-19-14-23(22-6-4-3-5-7-22)15-20(2)26(19)42(39,40)25(28(37)38)18-33-27(36)24-16-30(41-35-24)10-8-21(9-11-30)17-34-29-31-12-13-32-29/h3-7,12-15,21,25H,8-11,16-18H2,1-2H3,(H,33,36)(H,37,38)(H2,31,32,34)/t21?,25-,30?/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	670	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Alpha-5 beta-1 antagonism using an ELISA assay				Bioorg Med Chem Lett 14: 383-7 (2003) BindingDB Entry DOI: 10.7270/Q2571BFX
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-1 (Homo sapiens (Human))	BDBM50421658 (CHEMBL2111839) Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](CNC(=O)C1=NO[C@]2(C[C@@H](CNC3N=CC=N3)N(C2)C(=O)OCc2ccccc2)C1)C(O)=O |c:28,30,t:19| Show InChI InChI=1S/C31H37N7O8S/c1-19-11-20(2)26(21(3)12-19)47(43,44)37-25(28(40)41)16-34-27(39)24-14-31(46-36-24)13-23(15-35-29-32-9-10-33-29)38(18-31)30(42)45-17-22-7-5-4-6-8-22/h4-12,23,25,29,35,37H,13-18H2,1-3H3,(H,34,39)(H,40,41)/t23-,25-,31+/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Alpha-5 beta-1 antagonism using an ELISA assay				Bioorg Med Chem Lett 14: 383-7 (2003) BindingDB Entry DOI: 10.7270/Q2571BFX
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-1 (Homo sapiens (Human))	BDBM50421658 (CHEMBL2111839) Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](CNC(=O)C1=NO[C@]2(C[C@@H](CNC3N=CC=N3)N(C2)C(=O)OCc2ccccc2)C1)C(O)=O |c:28,30,t:19| Show InChI InChI=1S/C31H37N7O8S/c1-19-11-20(2)26(21(3)12-19)47(43,44)37-25(28(40)41)16-34-27(39)24-14-31(46-36-24)13-23(15-35-29-32-9-10-33-29)38(18-31)30(42)45-17-22-7-5-4-6-8-22/h4-12,23,25,29,35,37H,13-18H2,1-3H3,(H,34,39)(H,40,41)/t23-,25-,31+/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Evaluated in an functional alpha-v beta-3 antagonism assay, involving adhesion of beta3-transfected 293 cells to fibrinogen (alpha-v beta-3 293 beta3...				Bioorg Med Chem Lett 14: 383-7 (2003) BindingDB Entry DOI: 10.7270/Q2571BFX
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-1 (Homo sapiens (Human))	BDBM50138311 ((S)-3-({8-[(1H-Imidazol-2-ylamino)-methyl]-1-oxa-2...) Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)[C@@H](CNC(=O)C1=NOC2(C1)CCC(CNc1ncc[nH]1)CC2)C(O)=O |wU:12.37,t:18,(10.17,-7.03,;10.18,-5.49,;11.52,-4.72,;11.52,-3.18,;12.85,-2.41,;10.2,-2.41,;8.86,-3.16,;7.53,-2.39,;8.85,-4.7,;10.21,-.87,;8.88,-1.64,;11.54,-1.64,;10.21,.67,;8.88,1.44,;7.55,.68,;6.22,1.45,;6.22,2.99,;4.88,.69,;4.72,-.84,;3.21,-1.15,;2.45,.18,;3.48,1.32,;1.68,-1.13,;.15,-1.13,;-.61,.2,;-2.15,.2,;-2.92,1.53,;-4.46,1.53,;-5.36,2.79,;-6.83,2.33,;-6.83,.79,;-5.37,.3,;.15,1.53,;1.69,1.52,;11.56,1.44,;12.89,.67,;11.56,2.98,)| Show InChI InChI=1S/C25H33N5O6S/c1-15-10-16(2)21(17(3)11-15)37(34,35)20(23(32)33)14-28-22(31)19-12-25(36-30-19)6-4-18(5-7-25)13-29-24-26-8-9-27-24/h8-11,18,20H,4-7,12-14H2,1-3H3,(H,28,31)(H,32,33)(H2,26,27,29)/t18?,20-,25?/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Evaluated in an functional alpha-v beta-3 antagonism assay, involving adhesion of beta3-transfected 293 cells to fibrinogen (alpha-v beta-3 293 beta3...				Bioorg Med Chem Lett 14: 383-7 (2003) BindingDB Entry DOI: 10.7270/Q2571BFX
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-1 (Homo sapiens (Human))	BDBM50138316 ((S)-2-(2,6-Dimethyl-benzenesulfonyl)-3-({8-[(1H-im...) Show SMILES Cc1cccc(C)c1S(=O)(=O)[C@@H](CNC(=O)C1=NOC2(C1)CCC(CNc1ncc[nH]1)CC2)C(O)=O |wU:11.36,t:17,(16.18,-5.47,;14.85,-6.23,;14.85,-7.77,;13.5,-8.54,;12.17,-7.77,;12.17,-6.23,;10.83,-5.45,;13.52,-5.47,;13.52,-3.93,;12.19,-4.7,;14.87,-4.71,;13.54,-2.38,;12.21,-1.61,;10.86,-2.37,;9.52,-1.6,;9.54,-.05,;8.19,-2.37,;8.03,-3.89,;6.52,-4.21,;5.76,-2.88,;6.79,-1.74,;4.98,-4.19,;3.46,-4.19,;2.69,-2.86,;1.15,-2.85,;.38,-1.52,;-1.16,-1.52,;-2.07,-.26,;-3.55,-.73,;-3.55,-2.28,;-2.07,-2.74,;3.46,-1.53,;4.99,-1.53,;14.88,-1.62,;16.21,-2.39,;14.88,-.08,)| Show InChI InChI=1S/C24H31N5O6S/c1-15-4-3-5-16(2)20(15)36(33,34)19(22(31)32)14-27-21(30)18-12-24(35-29-18)8-6-17(7-9-24)13-28-23-25-10-11-26-23/h3-5,10-11,17,19H,6-9,12-14H2,1-2H3,(H,27,30)(H,31,32)(H2,25,26,28)/t17?,19-,24?/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Alpha-5 beta-1 antagonism using an ELISA assay				Bioorg Med Chem Lett 14: 383-7 (2003) BindingDB Entry DOI: 10.7270/Q2571BFX
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-1 (Homo sapiens (Human))	BDBM50138322 ((S)-3-{[8-(1H-Imidazol-2-ylcarbamoyl)-1-oxa-2-aza-...) Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)[C@@H](CNC(=O)C1=NOC2(C1)CCC(CC2)C(=O)Nc1ncc[nH]1)C(O)=O |t:18| Show InChI InChI=1S/C25H31N5O7S/c1-14-10-15(2)20(16(3)11-14)38(35,36)19(23(33)34)13-28-22(32)18-12-25(37-30-18)6-4-17(5-7-25)21(31)29-24-26-8-9-27-24/h8-11,17,19H,4-7,12-13H2,1-3H3,(H,28,32)(H,33,34)(H2,26,27,29,31)/t17?,19-,25?/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Alpha-5 beta-1 antagonism using an ELISA assay				Bioorg Med Chem Lett 14: 383-7 (2003) BindingDB Entry DOI: 10.7270/Q2571BFX
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-1 (Homo sapiens (Human))	BDBM50138314 ((S)-2-(2,6-Dichloro-benzenesulfonyl)-3-({8-[(1H-im...) Show SMILES OC(=O)[C@H](CNC(=O)C1=NOC2(C1)CCC(CNc1ncc[nH]1)CC2)S(=O)(=O)c1c(Cl)cccc1Cl |wU:3.2,t:8,(17.13,-1.91,;15.8,-1.14,;15.8,.4,;14.45,-1.9,;13.12,-1.13,;11.79,-1.9,;10.46,-1.13,;10.46,.41,;9.12,-1.89,;8.96,-3.41,;7.45,-3.72,;6.7,-2.39,;7.72,-1.26,;5.91,-3.71,;4.39,-3.71,;3.62,-2.38,;2.08,-2.36,;1.33,-1.03,;-.21,-1.03,;-1.11,.23,;-2.58,-.26,;-2.58,-1.8,;-1.12,-2.27,;4.39,-1.05,;5.94,-1.06,;14.45,-3.44,;13.12,-4.21,;15.78,-4.22,;14.44,-4.98,;15.76,-5.75,;17.09,-4.98,;15.76,-7.29,;14.42,-8.06,;13.09,-7.28,;13.1,-5.74,;11.77,-4.96,)| Show InChI InChI=1S/C22H25Cl2N5O6S/c23-14-2-1-3-15(24)18(14)36(33,34)17(20(31)32)12-27-19(30)16-10-22(35-29-16)6-4-13(5-7-22)11-28-21-25-8-9-26-21/h1-3,8-9,13,17H,4-7,10-12H2,(H,27,30)(H,31,32)(H2,25,26,28)/t13?,17-,22?/m0/s1	PDB UniProtKB/SwissProt 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
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Evaluated in an functional alpha-v beta-3 antagonism assay, involving adhesion of beta3-transfected 293 cells to fibrinogen (alpha-v beta-3 293 beta3...				Bioorg Med Chem Lett 14: 383-7 (2003) BindingDB Entry DOI: 10.7270/Q2571BFX
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-1 (Homo sapiens (Human))	BDBM50138309 ((S)-2-Benzenesulfonyl-3-({8-[(1H-imidazol-2-ylamin...) Show SMILES OC(=O)[C@H](CNC(=O)C1=NOC2(C1)CCC(CNc1ncc[nH]1)CC2)S(=O)(=O)c1ccccc1 |wU:3.2,t:8,(18.08,-.28,;16.75,.49,;16.75,2.03,;15.41,-.27,;14.08,.51,;12.73,-.27,;11.39,.51,;11.41,2.05,;10.06,-.26,;9.9,-1.78,;8.39,-2.09,;7.63,-.76,;8.66,.37,;6.85,-2.08,;5.33,-2.08,;4.56,-.75,;3.02,-.73,;2.25,.6,;.71,.6,;-.2,1.86,;-1.68,1.38,;-1.68,-.16,;-.2,-.64,;5.33,.58,;6.86,.58,;15.39,-1.81,;14.06,-2.58,;16.74,-2.6,;15.39,-3.35,;16.72,-4.12,;16.72,-5.67,;15.37,-6.44,;14.04,-5.66,;14.04,-4.12,)| Show InChI InChI=1S/C22H27N5O6S/c28-19(25-14-18(20(29)30)34(31,32)16-4-2-1-3-5-16)17-12-22(33-27-17)8-6-15(7-9-22)13-26-21-23-10-11-24-21/h1-5,10-11,15,18H,6-9,12-14H2,(H,25,28)(H,29,30)(H2,23,24,26)/t15?,18-,22?/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Alpha-5 beta-1 antagonism using an ELISA assay				Bioorg Med Chem Lett 14: 383-7 (2003) BindingDB Entry DOI: 10.7270/Q2571BFX
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50138313 ((5S,8S)-8-[(1H-Benzoimidazol-2-ylamino)-methyl]-3-...) Show SMILES CCCCOC(=O)N1C[C@]2(C[C@H]1CNc1nc3ccccc3[nH]1)CC(=NO2)C(=O)NC[C@H](NS(=O)(=O)c1c(C)cc(C)cc1C)C(O)=O |c:27| Show InChI InChI=1S/C32H41N7O8S/c1-5-6-11-46-31(43)39-18-32(14-22(39)16-34-30-35-23-9-7-8-10-24(23)36-30)15-25(37-47-32)28(40)33-17-26(29(41)42)38-48(44,45)27-20(3)12-19(2)13-21(27)4/h7-10,12-13,22,26,38H,5-6,11,14-18H2,1-4H3,(H,33,40)(H,41,42)(H2,34,35,36)/t22-,26-,32-/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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Evaluated in an functional alpha-v beta-3 antagonism assay, involving adhesion of beta3-transfected 293 cells to fibrinogen (alpha-v beta-3 293 beta3...				Bioorg Med Chem Lett 14: 383-7 (2003) BindingDB Entry DOI: 10.7270/Q2571BFX
					More data for this Ligand-Target Pair