Compile Data Set for Download or QSAR

Found 690 hits Enz. Inhib. hit(s) with Target = 'Integrin alpha-5/beta-1'   

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))	BDBM50313793 ((S)-3-(3-amino-4-(3-(5,6,7,8-tetrahydro-1,8-naphth...) Show SMILES Nc1cc(C[C@H](NS(=O)(=O)c2cccc(c2)C(F)(F)F)C(O)=O)ccc1OCCCc1ccc2CCCNc2n1 |r| Show InChI InChI=1S/C27H29F3N4O5S/c28-27(29,30)19-5-1-7-21(16-19)40(37,38)34-23(26(35)36)15-17-8-11-24(22(31)14-17)39-13-3-6-20-10-9-18-4-2-12-32-25(18)33-20/h1,5,7-11,14,16,23,34H,2-4,6,12-13,15,31H2,(H,32,33)(H,35,36)/t23-/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
Universit£ Catholique de Louvain Curated by ChEMBL					Assay Description Inhibition of human Integrin alpha5beta3 receptors expressed in HOP cells assessed as cell attachment after 30 mins by colorimetric assay				Bioorg Med Chem Lett 20: 1861-5 (2010) Article DOI: 10.1016/j.bmcl.2010.01.150 BindingDB Entry DOI: 10.7270/Q2Z60P6B
					More data for this Ligand-Target Pair
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	Article PubMed	n/a	n/a	0.180	n/a	n/a	n/a	n/a	n/a	n/a
Università di Napoli Federico II Curated by ChEMBL					Assay Description Inhibition of alpha5-beta1 integrin receptor in ELISA				J Med Chem 48: 4204-7 (2005) Article DOI: 10.1021/jm040224i BindingDB Entry DOI: 10.7270/Q2CZ36NT
					More data for this Ligand-Target Pair
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))	BDBM279568 ((3S)-3-[3-bromo-5-(trifluoromethyl)phenyl]-3-[[2-[...) Show SMILES OC1CNC(Nc2cncc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(Br)cc(c2)C(F)(F)F)=NC1 |r,c:36| Show InChI InChI=1S/C22H22BrF3N6O5/c23-14-2-11(1-13(4-14)22(24,25)26)17(5-19(35)36)32-18(34)10-28-20(37)12-3-15(7-27-6-12)31-21-29-8-16(33)9-30-21/h1-4,6-7,16-17,33H,5,8-10H2,(H,28,37)(H,32,34)(H,35,36)(H2,29,30,31)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	7.4	25
Saint Louis University US Patent					Assay Description Purified human fibronectin (R&D Systems, 1918-FN) diluted to 2 μg/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2, 1 m...				US Patent US10035778 (2018) BindingDB Entry DOI: 10.7270/Q24M96KK
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-1 [T112H] (Homo sapiens (Human))	BDBM279568 ((3S)-3-[3-bromo-5-(trifluoromethyl)phenyl]-3-[[2-[...) Show SMILES OC1CNC(Nc2cncc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(Br)cc(c2)C(F)(F)F)=NC1 |r,c:36| Show InChI InChI=1S/C22H22BrF3N6O5/c23-14-2-11(1-13(4-14)22(24,25)26)17(5-19(35)36)32-18(34)10-28-20(37)12-3-15(7-27-6-12)31-21-29-8-16(33)9-30-21/h1-4,6-7,16-17,33H,5,8-10H2,(H,28,37)(H,32,34)(H,35,36)(H2,29,30,31)/t17-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Saint Louis University US Patent					Assay Description Purified human fibronectin (R&D Systems, 1918-FN) diluted to 2 μg/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2, 1 m...				US Patent US10577330 (2020) BindingDB Entry DOI: 10.7270/Q2862JVR
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-1 (Homo sapiens (Human))	BDBM50313795 ((S)-3-(4-(3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2...) Show SMILES COCCOCCOCCOCC(=O)Nc1cc(C[C@H](NS(=O)(=O)c2cccc(c2)C(F)(F)F)C(O)=O)ccc1OCCCc1ccc2CCCNc2n1 |r| Show InChI InChI=1S/C36H45F3N4O10S/c1-49-15-16-50-17-18-51-19-20-52-24-33(44)42-30-21-25(9-12-32(30)53-14-4-7-28-11-10-26-5-3-13-40-34(26)41-28)22-31(35(45)46)43-54(47,48)29-8-2-6-27(23-29)36(37,38)39/h2,6,8-12,21,23,31,43H,3-5,7,13-20,22,24H2,1H3,(H,40,41)(H,42,44)(H,45,46)/t31-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Catholique de Louvain Curated by ChEMBL					Assay Description Inhibition of human Integrin alpha5beta3 receptors expressed in HOP cells assessed as cell attachment after 30 mins by colorimetric assay				Bioorg Med Chem Lett 20: 1861-5 (2010) Article DOI: 10.1016/j.bmcl.2010.01.150 BindingDB Entry DOI: 10.7270/Q2Z60P6B
					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))	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	Article PubMed	n/a	n/a	0.390	n/a	n/a	n/a	n/a	n/a	n/a
Università di Napoli Federico II Curated by ChEMBL					Assay Description Inhibition of alpha5-beta1 integrin receptor in ELISA				J Med Chem 48: 4204-7 (2005) Article DOI: 10.1021/jm040224i BindingDB Entry DOI: 10.7270/Q2CZ36NT
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-1 (Homo sapiens (Human))	BDBM50497721 (CHEMBL3319235) Show SMILES CCCCOC(=O)N1C[C@]2(C[C@H]1CNc1ncc(C=C)[nH]1)CC(=NO2)C(=O)NC[C@H](NS(=O)(=O)c1c(C)cc(C)cc1C)C(O)=O |r,c:24| Show InChI InChI=1S/C30H41N7O8S/c1-6-8-9-44-29(41)37-17-30(12-22(37)15-33-28-32-14-21(7-2)34-28)13-23(35-45-30)26(38)31-16-24(27(39)40)36-46(42,43)25-19(4)10-18(3)11-20(25)5/h7,10-11,14,22,24,36H,2,6,8-9,12-13,15-17H2,1,3-5H3,(H,31,38)(H,39,40)(H2,32,33,34)/t22-,24-,30-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.390	n/a	n/a	n/a	n/a	n/a	n/a
University of Bradford Curated by ChEMBL					Assay Description Antagonist activity at alpha5beta1 integrin receptor (unknown origin) by cell-free ELISA				J Med Chem 57: 6301-15 (2014) Article DOI: 10.1021/jm5000547 BindingDB Entry DOI: 10.7270/Q2NS0XW8
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-1 (Homo sapiens (Human))	BDBM279562 ((3S)-3-[3-chloro-5-(difluoromethyl)phenyl)-3-(2-(3...) Show SMILES OC1CNC(Nc2cc(O)cc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(Cl)cc(c2)C(F)F)=NC1 |r,c:36| Show InChI InChI=1S/C23H24ClF2N5O6/c24-14-2-11(1-12(3-14)21(25)26)18(7-20(35)36)31-19(34)10-27-22(37)13-4-15(6-16(32)5-13)30-23-28-8-17(33)9-29-23/h1-6,17-18,21,32-33H,7-10H2,(H,27,37)(H,31,34)(H,35,36)(H2,28,29,30)/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	7.4	25
Saint Louis University US Patent					Assay Description Purified human fibronectin (R&D Systems, 1918-FN) diluted to 2 μg/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2, 1 m...				US Patent US10035778 (2018) BindingDB Entry DOI: 10.7270/Q24M96KK
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-1 (Homo sapiens (Human))	BDBM279570 ((3S)-3-[3-bromo-5-methyl-phenyl)-3-(2-(3-hydroxy-5...) Show SMILES Cc1cc(Br)cc(c1)[C@H](CC(O)=O)NC(=O)CNC(=O)c1cc(O)cc(NC2=NCC(O)CN2)c1 |r,t:28| Show InChI InChI=1S/C23H26BrN5O6/c1-12-2-13(4-15(24)3-12)19(8-21(33)34)29-20(32)11-25-22(35)14-5-16(7-17(30)6-14)28-23-26-9-18(31)10-27-23/h2-7,18-19,30-31H,8-11H2,1H3,(H,25,35)(H,29,32)(H,33,34)(H2,26,27,28)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	7.4	25
Saint Louis University US Patent					Assay Description Purified human fibronectin (R&D Systems, 1918-FN) diluted to 2 μg/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2, 1 m...				US Patent US10035778 (2018) BindingDB Entry DOI: 10.7270/Q24M96KK
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-1 [T112H] (Homo sapiens (Human))	BDBM279570 ((3S)-3-[3-bromo-5-methyl-phenyl)-3-(2-(3-hydroxy-5...) Show SMILES Cc1cc(Br)cc(c1)[C@H](CC(O)=O)NC(=O)CNC(=O)c1cc(O)cc(NC2=NCC(O)CN2)c1 |r,t:28| Show InChI InChI=1S/C23H26BrN5O6/c1-12-2-13(4-15(24)3-12)19(8-21(33)34)29-20(32)11-25-22(35)14-5-16(7-17(30)6-14)28-23-26-9-18(31)10-27-23/h2-7,18-19,30-31H,8-11H2,1H3,(H,25,35)(H,29,32)(H,33,34)(H2,26,27,28)/t19-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Saint Louis University US Patent					Assay Description Purified human fibronectin (R&D Systems, 1918-FN) diluted to 2 μg/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2, 1 m...				US Patent US10577330 (2020) BindingDB Entry DOI: 10.7270/Q2862JVR
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-1 [T112H] (Homo sapiens (Human))	BDBM279562 ((3S)-3-[3-chloro-5-(difluoromethyl)phenyl)-3-(2-(3...) Show SMILES OC1CNC(Nc2cc(O)cc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(Cl)cc(c2)C(F)F)=NC1 |r,c:36| Show InChI InChI=1S/C23H24ClF2N5O6/c24-14-2-11(1-12(3-14)21(25)26)18(7-20(35)36)31-19(34)10-27-22(37)13-4-15(6-16(32)5-13)30-23-28-8-17(33)9-29-23/h1-6,17-18,21,32-33H,7-10H2,(H,27,37)(H,31,34)(H,35,36)(H2,28,29,30)/t18-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Saint Louis University US Patent					Assay Description Purified human fibronectin (R&D Systems, 1918-FN) diluted to 2 μg/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2, 1 m...				US Patent US10577330 (2020) BindingDB Entry DOI: 10.7270/Q2862JVR
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-1 (Homo sapiens (Human))	BDBM50217428 (2S,3R,5S-4-{[2-carboxy-2-(2,4,6-trimethyl-benzoyla...) Show SMILES COc1ccnc(NC[C@@H]2C[C@H](CN2C(=O)OCc2ccccc2)OCC(=O)NC[C@H](NC(=O)c2c(C)cc(C)cc2C)C(O)=O)c1 Show InChI InChI=1S/C34H41N5O8/c1-21-12-22(2)31(23(3)13-21)32(41)38-28(33(42)43)17-37-30(40)20-46-27-14-25(16-36-29-15-26(45-4)10-11-35-29)39(18-27)34(44)47-19-24-8-6-5-7-9-24/h5-13,15,25,27-28H,14,16-20H2,1-4H3,(H,35,36)(H,37,40)(H,38,41)(H,42,43)/t25-,27+,28-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.540	n/a	n/a	n/a	n/a	n/a	n/a
Jerini AG Curated by ChEMBL					Assay Description Inhibition of integrin alpha5beta1 receptor by ELISA				J Med Chem 50: 3786-94 (2007) Article DOI: 10.1021/jm070002v BindingDB Entry DOI: 10.7270/Q2PG1RFZ
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-1 (Homo sapiens (Human))	BDBM50217419 (2S,3R,5S-3-(2-{1-(3,3-dimethyl-butyryl)-5-[(4-meth...) Show SMILES COc1ccnc(NC[C@@H]2C[C@H](CN2C(=O)CC(C)(C)C)OCC(=O)NC[C@H](NC(=O)c2c(C)cc(C)cc2C)C(O)=O)c1 Show InChI InChI=1S/C32H45N5O7/c1-19-10-20(2)29(21(3)11-19)30(40)36-25(31(41)42)16-35-27(38)18-44-24-12-22(37(17-24)28(39)14-32(4,5)6)15-34-26-13-23(43-7)8-9-33-26/h8-11,13,22,24-25H,12,14-18H2,1-7H3,(H,33,34)(H,35,38)(H,36,40)(H,41,42)/t22-,24+,25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.550	n/a	n/a	n/a	n/a	n/a	n/a
Jerini AG Curated by ChEMBL					Assay Description Inhibition of integrin alpha5beta1 receptor by ELISA				J Med Chem 50: 3786-94 (2007) Article DOI: 10.1021/jm070002v BindingDB Entry DOI: 10.7270/Q2PG1RFZ
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-1 (Homo sapiens (Human))	BDBM50217426 (2S,3R,5S-3-(2-{1-(3,3-dimethyl-butyryl)-5-[(4-meth...) Show SMILES COc1ccnc(NC[C@@H]2C[C@H](CN2C(=O)CC(C)(C)C)OCC(=O)NC[C@H](NC(=O)C2(C)CCCCC2)C(O)=O)c1 Show InChI InChI=1S/C30H47N5O7/c1-29(2,3)15-26(37)35-18-22(13-20(35)16-32-24-14-21(41-5)9-12-31-24)42-19-25(36)33-17-23(27(38)39)34-28(40)30(4)10-7-6-8-11-30/h9,12,14,20,22-23H,6-8,10-11,13,15-19H2,1-5H3,(H,31,32)(H,33,36)(H,34,40)(H,38,39)/t20-,22+,23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.550	n/a	n/a	n/a	n/a	n/a	n/a
Jerini AG Curated by ChEMBL					Assay Description Inhibition of integrin alpha5beta1 receptor by ELISA				J Med Chem 50: 3786-94 (2007) Article DOI: 10.1021/jm070002v BindingDB Entry DOI: 10.7270/Q2PG1RFZ
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-1 [T112H] (Homo sapiens (Human))	BDBM279572 ((3S)-3-[3-bromo-5-fluoro-phenyl)-3-(2-(3-hydroxy-5...) Show SMILES OC1CNC(Nc2cc(O)cc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(F)cc(Br)c2)=NC1 |r,c:34| Show InChI InChI=1S/C22H23BrFN5O6/c23-13-1-11(2-14(24)5-13)18(7-20(33)34)29-19(32)10-25-21(35)12-3-15(6-16(30)4-12)28-22-26-8-17(31)9-27-22/h1-6,17-18,30-31H,7-10H2,(H,25,35)(H,29,32)(H,33,34)(H2,26,27,28)/t18-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Saint Louis University US Patent					Assay Description Purified human fibronectin (R&D Systems, 1918-FN) diluted to 2 μg/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2, 1 m...				US Patent US10577330 (2020) BindingDB Entry DOI: 10.7270/Q2862JVR
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-1 [T112H] (Homo sapiens (Human))	BDBM279565 ((3S)-3-[3-bromo-5-chloro-phenyl)-3-(2-(3-hydroxy-5...) Show SMILES OC1CNC(Nc2cc(O)cc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(Cl)cc(Br)c2)=NC1 |r,c:34| Show InChI InChI=1S/C22H23BrClN5O6/c23-13-1-11(2-14(24)5-13)18(7-20(33)34)29-19(32)10-25-21(35)12-3-15(6-16(30)4-12)28-22-26-8-17(31)9-27-22/h1-6,17-18,30-31H,7-10H2,(H,25,35)(H,29,32)(H,33,34)(H2,26,27,28)/t18-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Saint Louis University US Patent					Assay Description Purified human fibronectin (R&D Systems, 1918-FN) diluted to 2 μg/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2, 1 m...				US Patent US10577330 (2020) BindingDB Entry DOI: 10.7270/Q2862JVR
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-1 (Homo sapiens (Human))	BDBM279567 ((3S)-3-(3-bromo-5-chloro-phenyl)-3-[[2-[[5-[(5-hyd...) Show SMILES OC1CNC(Nc2cncc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(Cl)cc(Br)c2)=NC1 |r,c:33| Show InChI InChI=1S/C21H22BrClN6O5/c22-13-1-11(2-14(23)4-13)17(5-19(32)33)29-18(31)10-25-20(34)12-3-15(7-24-6-12)28-21-26-8-16(30)9-27-21/h1-4,6-7,16-17,30H,5,8-10H2,(H,25,34)(H,29,31)(H,32,33)(H2,26,27,28)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	7.4	25
Saint Louis University US Patent					Assay Description Purified human fibronectin (R&D Systems, 1918-FN) diluted to 2 μg/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2, 1 m...				US Patent US10035778 (2018) BindingDB Entry DOI: 10.7270/Q24M96KK
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-1 (Homo sapiens (Human))	BDBM279573 ((3S)-3-(3,5-dibromophenyl)-3-[[2-[[5-[(5-hydroxy-1...) Show SMILES OC1CNC(Nc2cncc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(Br)cc(Br)c2)=NC1 |r,c:33| Show InChI InChI=1S/C21H22Br2N6O5/c22-13-1-11(2-14(23)4-13)17(5-19(32)33)29-18(31)10-25-20(34)12-3-15(7-24-6-12)28-21-26-8-16(30)9-27-21/h1-4,6-7,16-17,30H,5,8-10H2,(H,25,34)(H,29,31)(H,32,33)(H2,26,27,28)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	7.4	25
Saint Louis University US Patent					Assay Description Purified human fibronectin (R&D Systems, 1918-FN) diluted to 2 μg/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2, 1 m...				US Patent US10035778 (2018) BindingDB Entry DOI: 10.7270/Q24M96KK
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-1 [T112H] (Homo sapiens (Human))	BDBM279567 ((3S)-3-(3-bromo-5-chloro-phenyl)-3-[[2-[[5-[(5-hyd...) Show SMILES OC1CNC(Nc2cncc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(Cl)cc(Br)c2)=NC1 |r,c:33| Show InChI InChI=1S/C21H22BrClN6O5/c22-13-1-11(2-14(23)4-13)17(5-19(32)33)29-18(31)10-25-20(34)12-3-15(7-24-6-12)28-21-26-8-16(30)9-27-21/h1-4,6-7,16-17,30H,5,8-10H2,(H,25,34)(H,29,31)(H,32,33)(H2,26,27,28)/t17-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Saint Louis University US Patent					Assay Description Purified human fibronectin (R&D Systems, 1918-FN) diluted to 2 μg/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2, 1 m...				US Patent US10577330 (2020) BindingDB Entry DOI: 10.7270/Q2862JVR
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-1 (Homo sapiens (Human))	BDBM279572 ((3S)-3-[3-bromo-5-fluoro-phenyl)-3-(2-(3-hydroxy-5...) Show SMILES OC1CNC(Nc2cc(O)cc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(F)cc(Br)c2)=NC1 |r,c:34| Show InChI InChI=1S/C22H23BrFN5O6/c23-13-1-11(2-14(24)5-13)18(7-20(33)34)29-19(32)10-25-21(35)12-3-15(6-16(30)4-12)28-22-26-8-17(31)9-27-22/h1-6,17-18,30-31H,7-10H2,(H,25,35)(H,29,32)(H,33,34)(H2,26,27,28)/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	7.4	25
Saint Louis University US Patent					Assay Description Purified human fibronectin (R&D Systems, 1918-FN) diluted to 2 μg/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2, 1 m...				US Patent US10035778 (2018) BindingDB Entry DOI: 10.7270/Q24M96KK
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-1 [T112H] (Homo sapiens (Human))	BDBM279573 ((3S)-3-(3,5-dibromophenyl)-3-[[2-[[5-[(5-hydroxy-1...) Show SMILES OC1CNC(Nc2cncc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(Br)cc(Br)c2)=NC1 |r,c:33| Show InChI InChI=1S/C21H22Br2N6O5/c22-13-1-11(2-14(23)4-13)17(5-19(32)33)29-18(31)10-25-20(34)12-3-15(7-24-6-12)28-21-26-8-16(30)9-27-21/h1-4,6-7,16-17,30H,5,8-10H2,(H,25,34)(H,29,31)(H,32,33)(H2,26,27,28)/t17-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Saint Louis University US Patent					Assay Description Purified human fibronectin (R&D Systems, 1918-FN) diluted to 2 μg/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2, 1 m...				US Patent US10577330 (2020) BindingDB Entry DOI: 10.7270/Q2862JVR
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-1 (Homo sapiens (Human))	BDBM279565 ((3S)-3-[3-bromo-5-chloro-phenyl)-3-(2-(3-hydroxy-5...) Show SMILES OC1CNC(Nc2cc(O)cc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(Cl)cc(Br)c2)=NC1 |r,c:34| Show InChI InChI=1S/C22H23BrClN5O6/c23-13-1-11(2-14(24)5-13)18(7-20(33)34)29-19(32)10-25-21(35)12-3-15(6-16(30)4-12)28-22-26-8-17(31)9-27-22/h1-6,17-18,30-31H,7-10H2,(H,25,35)(H,29,32)(H,33,34)(H2,26,27,28)/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	7.4	25
Saint Louis University US Patent					Assay Description Purified human fibronectin (R&D Systems, 1918-FN) diluted to 2 μg/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2, 1 m...				US Patent US10035778 (2018) BindingDB Entry DOI: 10.7270/Q24M96KK
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-1 (Homo sapiens (Human))	BDBM50439683 (CHEMBL2418221) Show SMILES [#6]-[#6@@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](-[#8])=O |r| Show InChI InChI=1S/C23H39N9O10/c1-11(33)18(21(40)32-7-3-5-14(32)22(41)42)31-20(39)13(8-17(36)37)30-16(35)10-28-19(38)12(29-15(34)9-24)4-2-6-27-23(25)26/h11-14,18,33H,2-10,24H2,1H3,(H,28,38)(H,29,34)(H,30,35)(H,31,39)(H,36,37)(H,41,42)(H4,25,26,27)/t11-,12+,13+,14+,18+/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.670	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at alpha5beta1 in human K562 cells assessed as reduction in cell adhesion to fibronectin pre-incubated for 30 mins before fibrone...				Citation and Details BindingDB Entry DOI: 10.7270/Q2154MPK
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-1 [T112H] (Homo sapiens (Human))	BDBM279563 ((3S)-3-[3-bromo-5-(difluoromethyl)phenyl)-3-(2-(3-...) Show SMILES OC1CNC(Nc2cc(O)cc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(Br)cc(c2)C(F)F)=NC1 |r,c:36| Show InChI InChI=1S/C23H24BrF2N5O6/c24-14-2-11(1-12(3-14)21(25)26)18(7-20(35)36)31-19(34)10-27-22(37)13-4-15(6-16(32)5-13)30-23-28-8-17(33)9-29-23/h1-6,17-18,21,32-33H,7-10H2,(H,27,37)(H,31,34)(H,35,36)(H2,28,29,30)/t18-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Saint Louis University US Patent					Assay Description Purified human fibronectin (R&D Systems, 1918-FN) diluted to 2 μg/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2, 1 m...				US Patent US10577330 (2020) BindingDB Entry DOI: 10.7270/Q2862JVR
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-1 (Homo sapiens (Human))	BDBM279566 ((3S)-3-[3-chloro-5-(trifluoromethyl)phenyl]3-[[2-[...) Show SMILES OC1CNC(Nc2cncc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(Cl)cc(c2)C(F)(F)F)=NC1 |r,c:36| Show InChI InChI=1S/C22H22ClF3N6O5/c23-14-2-11(1-13(4-14)22(24,25)26)17(5-19(35)36)32-18(34)10-28-20(37)12-3-15(7-27-6-12)31-21-29-8-16(33)9-30-21/h1-4,6-7,16-17,33H,5,8-10H2,(H,28,37)(H,32,34)(H,35,36)(H2,29,30,31)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	7.4	25
Saint Louis University US Patent					Assay Description Purified human fibronectin (R&D Systems, 1918-FN) diluted to 2 μg/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2, 1 m...				US Patent US10035778 (2018) BindingDB Entry DOI: 10.7270/Q24M96KK
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-1 (Homo sapiens (Human))	BDBM279563 ((3S)-3-[3-bromo-5-(difluoromethyl)phenyl)-3-(2-(3-...) Show SMILES OC1CNC(Nc2cc(O)cc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(Br)cc(c2)C(F)F)=NC1 |r,c:36| Show InChI InChI=1S/C23H24BrF2N5O6/c24-14-2-11(1-12(3-14)21(25)26)18(7-20(35)36)31-19(34)10-27-22(37)13-4-15(6-16(32)5-13)30-23-28-8-17(33)9-29-23/h1-6,17-18,21,32-33H,7-10H2,(H,27,37)(H,31,34)(H,35,36)(H2,28,29,30)/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	7.4	25
Saint Louis University US Patent					Assay Description Purified human fibronectin (R&D Systems, 1918-FN) diluted to 2 μg/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2, 1 m...				US Patent US10035778 (2018) BindingDB Entry DOI: 10.7270/Q24M96KK
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-1 (Homo sapiens (Human))	BDBM50313794 ((S)-3-(3-(20-amino-3,6,9,12,15,18-hexaoxaicosanami...) Show SMILES NCCOCCOCCOCCOCCOCCOCC(=O)Nc1cc(C[C@H](NS(=O)(=O)c2cccc(c2)C(F)(F)F)C(O)=O)ccc1OCCCc1ccc2CCCNc2n1 |r| Show InChI InChI=1S/C41H56F3N5O12S/c42-41(43,44)32-5-1-7-34(28-32)62(53,54)49-36(40(51)52)27-30-8-11-37(61-14-3-6-33-10-9-31-4-2-13-46-39(31)47-33)35(26-30)48-38(50)29-60-25-24-59-23-22-58-21-20-57-19-18-56-17-16-55-15-12-45/h1,5,7-11,26,28,36,49H,2-4,6,12-25,27,29,45H2,(H,46,47)(H,48,50)(H,51,52)/t36-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Catholique de Louvain Curated by ChEMBL					Assay Description Inhibition of human Integrin alpha5beta3 receptors expressed in HOP cells assessed as cell attachment after 30 mins by colorimetric assay				Bioorg Med Chem Lett 20: 1861-5 (2010) Article DOI: 10.1016/j.bmcl.2010.01.150 BindingDB Entry DOI: 10.7270/Q2Z60P6B
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-1 (Homo sapiens (Human))	BDBM50554033 (CHEMBL4794201) Show SMILES NC(=N)Nc1cc(NC(=O)CCCCNC(=O)C23CC4CC(CC(C4)C2)C3)cc(c1)C(=O)NCC(=O)NC[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1)C(O)=O |r,TLB:15:17:20:24.22.23,THB:22:21:18:24.23.25,22:23:20.21.26:18,25:23:20:26.17.18,25:17:20:24.22.23| Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of alpha5beta1 integrin (unknown origin) by solid phase binding assay				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127578 BindingDB Entry DOI: 10.7270/Q25Q50R5
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-1 [T112H] (Homo sapiens (Human))	BDBM279566 ((3S)-3-[3-chloro-5-(trifluoromethyl)phenyl]3-[[2-[...) Show SMILES OC1CNC(Nc2cncc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(Cl)cc(c2)C(F)(F)F)=NC1 |r,c:36| Show InChI InChI=1S/C22H22ClF3N6O5/c23-14-2-11(1-13(4-14)22(24,25)26)17(5-19(35)36)32-18(34)10-28-20(37)12-3-15(7-27-6-12)31-21-29-8-16(33)9-30-21/h1-4,6-7,16-17,33H,5,8-10H2,(H,28,37)(H,32,34)(H,35,36)(H2,29,30,31)/t17-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Saint Louis University US Patent					Assay Description Purified human fibronectin (R&D Systems, 1918-FN) diluted to 2 μg/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2, 1 m...				US Patent US10577330 (2020) BindingDB Entry DOI: 10.7270/Q2862JVR
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-1 [T112H] (Homo sapiens (Human))	BDBM279561 ((3S)-3-(3-bromo-5-(trifluoromethyl)phenyl)-3-(2-(3...) Show SMILES OC1CNC(Nc2cc(O)cc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(Br)cc(c2)C(F)(F)F)=NC1 |r,c:37| Show InChI InChI=1S/C23H23BrF3N5O6/c24-14-2-11(1-13(5-14)23(25,26)27)18(7-20(36)37)32-19(35)10-28-21(38)12-3-15(6-16(33)4-12)31-22-29-8-17(34)9-30-22/h1-6,17-18,33-34H,7-10H2,(H,28,38)(H,32,35)(H,36,37)(H2,29,30,31)/t18-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Saint Louis University US Patent					Assay Description Purified human fibronectin (R&D Systems, 1918-FN) diluted to 2 μg/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2, 1 m...				US Patent US10577330 (2020) BindingDB Entry DOI: 10.7270/Q2862JVR
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-1 (Homo sapiens (Human))	BDBM279564 ((3S)-3-[3-chloro-5-(trifluoromethyl)phenyl)-3-(2-(...) Show SMILES OC1CNC(Nc2cc(O)cc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(Cl)cc(c2)C(F)(F)F)=NC1 |r,c:37| Show InChI InChI=1S/C23H23ClF3N5O6/c24-14-2-11(1-13(5-14)23(25,26)27)18(7-20(36)37)32-19(35)10-28-21(38)12-3-15(6-16(33)4-12)31-22-29-8-17(34)9-30-22/h1-6,17-18,33-34H,7-10H2,(H,28,38)(H,32,35)(H,36,37)(H2,29,30,31)/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	7.4	25
Saint Louis University US Patent					Assay Description Purified human fibronectin (R&D Systems, 1918-FN) diluted to 2 μg/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2, 1 m...				US Patent US10035778 (2018) BindingDB Entry DOI: 10.7270/Q24M96KK
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-1 (Homo sapiens (Human))	BDBM279561 ((3S)-3-(3-bromo-5-(trifluoromethyl)phenyl)-3-(2-(3...) Show SMILES OC1CNC(Nc2cc(O)cc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(Br)cc(c2)C(F)(F)F)=NC1 |r,c:37| Show InChI InChI=1S/C23H23BrF3N5O6/c24-14-2-11(1-13(5-14)23(25,26)27)18(7-20(36)37)32-19(35)10-28-21(38)12-3-15(6-16(33)4-12)31-22-29-8-17(34)9-30-22/h1-6,17-18,33-34H,7-10H2,(H,28,38)(H,32,35)(H,36,37)(H2,29,30,31)/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	7.4	25
Saint Louis University US Patent					Assay Description Purified human fibronectin (R&D Systems, 1918-FN) diluted to 2 μg/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2, 1 m...				US Patent US10035778 (2018) BindingDB Entry DOI: 10.7270/Q24M96KK
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-1 (Homo sapiens (Human))	BDBM50217425 (2S,3R,5S-4-({2-carboxy-2-[(1-methyl-cyclohexanecar...) Show SMILES COc1ccnc(NC[C@@H]2C[C@H](CN2C(=O)OCc2ccccc2)OCC(=O)NC[C@H](NC(=O)C2(C)CCCCC2)C(O)=O)c1 Show InChI InChI=1S/C32H43N5O8/c1-32(12-7-4-8-13-32)30(41)36-26(29(39)40)18-35-28(38)21-44-25-15-23(17-34-27-16-24(43-2)11-14-33-27)37(19-25)31(42)45-20-22-9-5-3-6-10-22/h3,5-6,9-11,14,16,23,25-26H,4,7-8,12-13,15,17-21H2,1-2H3,(H,33,34)(H,35,38)(H,36,41)(H,39,40)/t23-,25+,26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Jerini AG Curated by ChEMBL					Assay Description Inhibition of integrin alpha5beta1 receptor by ELISA				J Med Chem 50: 3786-94 (2007) Article DOI: 10.1021/jm070002v BindingDB Entry DOI: 10.7270/Q2PG1RFZ
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-1 [T112H] (Homo sapiens (Human))	BDBM279564 ((3S)-3-[3-chloro-5-(trifluoromethyl)phenyl)-3-(2-(...) Show SMILES OC1CNC(Nc2cc(O)cc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(Cl)cc(c2)C(F)(F)F)=NC1 |r,c:37| Show InChI InChI=1S/C23H23ClF3N5O6/c24-14-2-11(1-13(5-14)23(25,26)27)18(7-20(36)37)32-19(35)10-28-21(38)12-3-15(6-16(33)4-12)31-22-29-8-17(34)9-30-22/h1-6,17-18,33-34H,7-10H2,(H,28,38)(H,32,35)(H,36,37)(H2,29,30,31)/t18-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Saint Louis University US Patent					Assay Description Purified human fibronectin (R&D Systems, 1918-FN) diluted to 2 μg/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2, 1 m...				US Patent US10577330 (2020) BindingDB Entry DOI: 10.7270/Q2862JVR
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-1 (Homo sapiens (Human))	BDBM472699 (US10836720, HIJ-1483) Show SMILES NC(=N)Nc1cc(NC(=O)CCCNC(=O)C23CC4CC(CC(C4)C2)C3)cc(c1)C(=O)NCC(=O)NC[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1)C(O)=O |r,TLB:19:20:24:23.17.18,23:22:25:19.17.18,23:18:25:24.22.21,THB:19:18:24:25.20.21| Show InChI InChI=1S/C39H51N9O9S/c40-38(41)46-28-16-26(15-27(17-28)45-32(49)9-4-10-42-37(55)39-18-23-12-24(19-39)14-25(13-23)20-39)34(51)44-22-33(50)43-21-30(36(53)54)47-35(52)31-8-5-11-48(31)58(56,57)29-6-2-1-3-7-29/h1-3,6-7,15-17,23-25,30-31H,4-5,8-14,18-22H2,(H,42,55)(H,43,50)(H,44,51)(H,45,49)(H,47,52)(H,53,54)(H4,40,41,46)/t23?,24?,25?,30-,31-,39?/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of alpha5beta1 integrin (unknown origin) by solid phase binding assay				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127578 BindingDB Entry DOI: 10.7270/Q25Q50R5
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-1 (Homo sapiens (Human))	BDBM50217422 (2S,3R,20S-3-(2-{1-(3,3-dimethyl-butyryl)-5-[(4-met...) Show SMILES COc1ccnc(NC[C@@H]2C[C@H](CN2C(=O)CC(C)(C)C)OCC(=O)NC[C@H](NS(=O)(=O)c2c(C)cc(C)cc2C)C(O)=O)c1 Show InChI InChI=1S/C31H45N5O8S/c1-19-10-20(2)29(21(3)11-19)45(41,42)35-25(30(39)40)16-34-27(37)18-44-24-12-22(36(17-24)28(38)14-31(4,5)6)15-33-26-13-23(43-7)8-9-32-26/h8-11,13,22,24-25,35H,12,14-18H2,1-7H3,(H,32,33)(H,34,37)(H,39,40)/t22-,24+,25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Jerini AG Curated by ChEMBL					Assay Description Inhibition of integrin alpha5beta1 receptor by ELISA				J Med Chem 50: 3786-94 (2007) Article DOI: 10.1021/jm070002v BindingDB Entry DOI: 10.7270/Q2PG1RFZ
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-1 (Homo sapiens (Human))	BDBM50423732 (CHEMBL590389) Show SMILES CCc1cc(F)cc(C)c1C(=O)N[C@@H](Cc1ccc(cc1)N1CCC(CNc2ccccn2)CC1)C(O)=O |r| Show InChI InChI=1S/C30H35FN4O3/c1-3-23-18-24(31)16-20(2)28(23)29(36)34-26(30(37)38)17-21-7-9-25(10-8-21)35-14-11-22(12-15-35)19-33-27-6-4-5-13-32-27/h4-10,13,16,18,22,26H,3,11-12,14-15,17,19H2,1-2H3,(H,32,33)(H,34,36)(H,37,38)/t26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Jerini AG Curated by ChEMBL					Assay Description Inhibition of integrin alpha5beta1 receptor by ELISA				Bioorg Med Chem Lett 20: 65-8 (2010) Article DOI: 10.1016/j.bmcl.2009.11.030 BindingDB Entry DOI: 10.7270/Q2BR8TGJ
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-1 (Homo sapiens (Human))	BDBM50423736 (CHEMBL591543) Show SMILES COc1ccnc(NCC2CCN(CC2)c2ccc(CC(NC(=O)c3c(C)cc(C)cc3C)C(O)=O)cc2)c1 Show InChI InChI=1S/C31H38N4O4/c1-20-15-21(2)29(22(3)16-20)30(36)34-27(31(37)38)17-23-5-7-25(8-6-23)35-13-10-24(11-14-35)19-33-28-18-26(39-4)9-12-32-28/h5-9,12,15-16,18,24,27H,10-11,13-14,17,19H2,1-4H3,(H,32,33)(H,34,36)(H,37,38)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.920	n/a	n/a	n/a	n/a	n/a	n/a
Jerini AG Curated by ChEMBL					Assay Description Inhibition of integrin alpha5beta1 receptor by ELISA				Bioorg Med Chem Lett 20: 65-8 (2010) Article DOI: 10.1016/j.bmcl.2009.11.030 BindingDB Entry DOI: 10.7270/Q2BR8TGJ
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-1 [T112H] (Homo sapiens (Human))	BDBM279560 ((3S)-3-(3,5-dibromophenyl)-3-(2-(3-hydroxy-5-((5-h...) Show SMILES OC1CNC(Nc2cc(O)cc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(Br)cc(Br)c2)=NC1 |r,c:34| Show InChI InChI=1S/C22H23Br2N5O6/c23-13-1-11(2-14(24)5-13)18(7-20(33)34)29-19(32)10-25-21(35)12-3-15(6-16(30)4-12)28-22-26-8-17(31)9-27-22/h1-6,17-18,30-31H,7-10H2,(H,25,35)(H,29,32)(H,33,34)(H2,26,27,28)/t18-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Saint Louis University US Patent					Assay Description Purified human fibronectin (R&D Systems, 1918-FN) diluted to 2 μg/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2, 1 m...				US Patent US10577330 (2020) BindingDB Entry DOI: 10.7270/Q2862JVR
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-1 [T112H] (Homo sapiens (Human))	BDBM279569 ((3S)-3-[3,5-bis(trifluoromethyl)phenyl)-3-(2-(3-hy...) Show SMILES OC1CNC(Nc2cc(O)cc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)=NC1 |r,c:40| Show InChI InChI=1S/C24H23F6N5O6/c25-23(26,27)13-1-11(2-14(5-13)24(28,29)30)18(7-20(39)40)35-19(38)10-31-21(41)12-3-15(6-16(36)4-12)34-22-32-8-17(37)9-33-22/h1-6,17-18,36-37H,7-10H2,(H,31,41)(H,35,38)(H,39,40)(H2,32,33,34)/t18-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Saint Louis University US Patent					Assay Description Purified human fibronectin (R&D Systems, 1918-FN) diluted to 2 μg/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2, 1 m...				US Patent US10577330 (2020) BindingDB Entry DOI: 10.7270/Q2862JVR
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-1 (Homo sapiens (Human))	BDBM50383865 (CHEMBL2031169) Show SMILES OC(=O)[C@H](Cc1ccc(OCCc2ccc3OCCNc3n2)cc1)NC(=O)c1c(Cl)cccc1Cl |r| Show InChI InChI=1S/C25H23Cl2N3O5/c26-18-2-1-3-19(27)22(18)24(31)30-20(25(32)33)14-15-4-7-17(8-5-15)34-12-10-16-6-9-21-23(29-16)28-11-13-35-21/h1-9,20H,10-14H2,(H,28,29)(H,30,31)(H,32,33)/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to integrin alpha5beta1				Bioorg Med Chem Lett 22: 4111-6 (2012) Article DOI: 10.1016/j.bmcl.2012.04.063 BindingDB Entry DOI: 10.7270/Q26W9C3R
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-1 (Homo sapiens (Human))	BDBM50383862 (CHEMBL2031168) Show SMILES CN1CCNc2nc(CCOc3ccc(C[C@H](NC(=O)c4c(Cl)cccc4Cl)C(O)=O)cc3)ccc12 |r| Show InChI InChI=1S/C26H26Cl2N4O4/c1-32-13-12-29-24-22(32)10-7-17(30-24)11-14-36-18-8-5-16(6-9-18)15-21(26(34)35)31-25(33)23-19(27)3-2-4-20(23)28/h2-10,21H,11-15H2,1H3,(H,29,30)(H,31,33)(H,34,35)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to integrin alpha5beta1				Bioorg Med Chem Lett 22: 4111-6 (2012) Article DOI: 10.1016/j.bmcl.2012.04.063 BindingDB Entry DOI: 10.7270/Q26W9C3R
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-1 (Homo sapiens (Human))	BDBM50383801 (CHEMBL2030968) Show SMILES CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(O)=O)nc2)n1 |r| Show InChI InChI=1S/C23H22Cl2N4O4/c1-26-20-7-2-4-14(28-20)10-11-33-16-9-8-15(27-13-16)12-19(23(31)32)29-22(30)21-17(24)5-3-6-18(21)25/h2-9,13,19H,10-12H2,1H3,(H,26,28)(H,29,30)(H,31,32)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to integrin alpha5beta1				Bioorg Med Chem Lett 22: 4117-21 (2012) Article DOI: 10.1016/j.bmcl.2012.04.061 BindingDB Entry DOI: 10.7270/Q2M61M8P
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-1 (Homo sapiens (Human))	BDBM50383799 (CHEMBL2030805) Show SMILES CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3c(C)cccc3C)C(O)=O)cc2)n1 |r| Show InChI InChI=1S/C26H29N3O4/c1-17-6-4-7-18(2)24(17)25(30)29-22(26(31)32)16-19-10-12-21(13-11-19)33-15-14-20-8-5-9-23(27-3)28-20/h4-13,22H,14-16H2,1-3H3,(H,27,28)(H,29,30)(H,31,32)/t22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to integrin alpha5beta1				Bioorg Med Chem Lett 22: 4117-21 (2012) Article DOI: 10.1016/j.bmcl.2012.04.061 BindingDB Entry DOI: 10.7270/Q2M61M8P
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-1 (Homo sapiens (Human))	BDBM50383787 (CHEMBL2030806) Show SMILES CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3c(C)cc(C)cc3C)C(O)=O)cc2)n1 |r| Show InChI InChI=1S/C27H31N3O4/c1-17-14-18(2)25(19(3)15-17)26(31)30-23(27(32)33)16-20-8-10-22(11-9-20)34-13-12-21-6-5-7-24(28-4)29-21/h5-11,14-15,23H,12-13,16H2,1-4H3,(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 Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to integrin alpha5beta1				Bioorg Med Chem Lett 22: 4117-21 (2012) Article DOI: 10.1016/j.bmcl.2012.04.061 BindingDB Entry DOI: 10.7270/Q2M61M8P
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-1 (Homo sapiens (Human))	BDBM50383784 (CHEMBL2030810) Show SMILES CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3c(C)noc3C)C(O)=O)cc2)n1 |r| Show InChI InChI=1S/C23H26N4O5/c1-14-21(15(2)32-27-14)22(28)26-19(23(29)30)13-16-7-9-18(10-8-16)31-12-11-17-5-4-6-20(24-3)25-17/h4-10,19H,11-13H2,1-3H3,(H,24,25)(H,26,28)(H,29,30)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to integrin alpha5beta1				Bioorg Med Chem Lett 22: 4117-21 (2012) Article DOI: 10.1016/j.bmcl.2012.04.061 BindingDB Entry DOI: 10.7270/Q2M61M8P
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-1 (Homo sapiens (Human))	BDBM279576 ((3S)-3-(3-bromo-5-(trifluoromethoxy)phenyl)-3-(2-(...) Show SMILES OC1CNC(Nc2cc(O)cc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(Br)cc(OC(F)(F)F)c2)=NC1 |r,c:38| Show InChI InChI=1S/C23H23BrF3N5O7/c24-13-1-11(4-17(5-13)39-23(25,26)27)18(7-20(36)37)32-19(35)10-28-21(38)12-2-14(6-15(33)3-12)31-22-29-8-16(34)9-30-22/h1-6,16,18,33-34H,7-10H2,(H,28,38)(H,32,35)(H,36,37)(H2,29,30,31)/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	25
Saint Louis University US Patent					Assay Description Purified human fibronectin (R&D Systems, 1918-FN) diluted to 2 μg/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2, 1 m...				US Patent US10035778 (2018) BindingDB Entry DOI: 10.7270/Q24M96KK
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-1 (Homo sapiens (Human))	BDBM279575 ((3S)-3-[3-chloro-5-(trifluoromethoxy)phenyl)-3-(2-...) Show SMILES OC1CNC(Nc2cc(O)cc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(Cl)cc(OC(F)(F)F)c2)=NC1 |r,c:38| Show InChI InChI=1S/C23H23ClF3N5O7/c24-13-1-11(4-17(5-13)39-23(25,26)27)18(7-20(36)37)32-19(35)10-28-21(38)12-2-14(6-15(33)3-12)31-22-29-8-16(34)9-30-22/h1-6,16,18,33-34H,7-10H2,(H,28,38)(H,32,35)(H,36,37)(H2,29,30,31)/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	25
Saint Louis University US Patent					Assay Description Purified human fibronectin (R&D Systems, 1918-FN) diluted to 2 μg/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2, 1 m...				US Patent US10035778 (2018) BindingDB Entry DOI: 10.7270/Q24M96KK
					More data for this Ligand-Target Pair

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