Compile Data Set for Download or QSAR

Found 30 hits with Last Name = 'heckmann' and Initial = 'd'   

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	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))	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))	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	Article PubMed	n/a	n/a	1.40	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))	BDBM50168967 ((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=N3)N(C2)C(=O)OCc2ccccc2)C1)C(O)=O |c:30,t:19| Show InChI InChI=1S/C31H39N7O8S/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/h4-9,11-12,23,25,29,33,35,37H,10,13-18H2,1-3H3,(H,34,39)(H,40,41)/t23-,25-,29?,31-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	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))	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	Article PubMed	n/a	n/a	14	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))	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	Article PubMed	n/a	n/a	18	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))	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	Article PubMed	n/a	n/a	21	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-V/beta-3 (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	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Università di Napoli Federico II Curated by ChEMBL					Assay Description Inhibition of fibrinogen binding to alphaV-beta3 integrin receptor				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-V/beta-3 (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	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Università di Napoli Federico II Curated by ChEMBL					Assay Description Inhibition of fibrinogen binding to alphaV-beta3 integrin receptor				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))	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	Article PubMed	n/a	n/a	39	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-V/beta-3 (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	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Università di Napoli Federico II Curated by ChEMBL					Assay Description Inhibition of fibrinogen binding to alphaV-beta3 integrin receptor				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-V/beta-3 (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	49	n/a	n/a	n/a	n/a	n/a	n/a
Università di Napoli Federico II Curated by ChEMBL					Assay Description Inhibition of fibrinogen binding to alphaV-beta3 integrin receptor				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-V/beta-3 (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	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
Università di Napoli Federico II Curated by ChEMBL					Assay Description Inhibition of fibrinogen binding to alphaV-beta3 integrin receptor				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-V/beta-3 (Homo sapiens (Human))	BDBM50168967 ((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=N3)N(C2)C(=O)OCc2ccccc2)C1)C(O)=O |c:30,t:19| Show InChI InChI=1S/C31H39N7O8S/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/h4-9,11-12,23,25,29,33,35,37H,10,13-18H2,1-3H3,(H,34,39)(H,40,41)/t23-,25-,29?,31-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
Università di Napoli Federico II Curated by ChEMBL					Assay Description Inhibition of fibrinogen binding to alphaV-beta3 integrin receptor				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-V/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 UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	87	n/a	n/a	n/a	n/a	n/a	n/a
Università di Napoli Federico II Curated by ChEMBL					Assay Description Inhibition of fibrinogen binding to alphaV-beta3 integrin receptor				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-V/beta-3 (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	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Università di Napoli Federico II Curated by ChEMBL					Assay Description Inhibition of fibrinogen binding to alphaV-beta3 integrin receptor				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-V/beta-3 (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	Article PubMed	n/a	n/a	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 fibrinogen binding to alphaV-beta3 integrin receptor				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))	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	Article PubMed	n/a	n/a	230	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-V/beta-3 (Homo sapiens (Human))	BDBM50410235 (CHEMBL2096812) Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](CNC(=O)C1=NO[C@]2(C[C@@H](CNC3NCC=N3)N(C2)C(=O)OCc2ccccc2)C1)C(O)=O |c:30,t:19| Show InChI InChI=1S/C31H39N7O8S/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/h4-9,11-12,23,25,29,33,35,37H,10,13-18H2,1-3H3,(H,34,39)(H,40,41)/t23-,25-,29?,31+/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Università di Napoli Federico II Curated by ChEMBL					Assay Description Inhibition of fibrinogen binding to alphaV-beta3 integrin receptor				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))	BDBM50410235 (CHEMBL2096812) Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](CNC(=O)C1=NO[C@]2(C[C@@H](CNC3NCC=N3)N(C2)C(=O)OCc2ccccc2)C1)C(O)=O |c:30,t:19| Show InChI InChI=1S/C31H39N7O8S/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/h4-9,11-12,23,25,29,33,35,37H,10,13-18H2,1-3H3,(H,34,39)(H,40,41)/t23-,25-,29?,31+/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	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-IIb/beta-3 (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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Università di Napoli Federico II Curated by ChEMBL					Assay Description Inhibition of alpha IIb beta3 integrin receptor in human platelet rich plasma				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-IIb/beta-3 (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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Università di Napoli Federico II Curated by ChEMBL					Assay Description Inhibition of alpha IIb beta3 integrin receptor in human platelet rich plasma				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-IIb/beta-3 (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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Università di Napoli Federico II Curated by ChEMBL					Assay Description Inhibition of alpha IIb beta3 integrin receptor in human platelet rich plasma				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-IIb/beta-3 (Homo sapiens (Human))	BDBM50168967 ((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=N3)N(C2)C(=O)OCc2ccccc2)C1)C(O)=O |c:30,t:19| Show InChI InChI=1S/C31H39N7O8S/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/h4-9,11-12,23,25,29,33,35,37H,10,13-18H2,1-3H3,(H,34,39)(H,40,41)/t23-,25-,29?,31-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Università di Napoli Federico II Curated by ChEMBL					Assay Description Inhibition of alpha IIb beta3 integrin receptor in human platelet rich plasma				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-IIb/beta-3 (Homo sapiens (Human))	BDBM50410235 (CHEMBL2096812) Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](CNC(=O)C1=NO[C@]2(C[C@@H](CNC3NCC=N3)N(C2)C(=O)OCc2ccccc2)C1)C(O)=O |c:30,t:19| Show InChI InChI=1S/C31H39N7O8S/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/h4-9,11-12,23,25,29,33,35,37H,10,13-18H2,1-3H3,(H,34,39)(H,40,41)/t23-,25-,29?,31+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Università di Napoli Federico II Curated by ChEMBL					Assay Description Inhibition of alpha IIb beta3 integrin receptor in human platelet rich plasma				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-IIb/beta-3 (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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Università di Napoli Federico II Curated by ChEMBL					Assay Description Inhibition of alpha IIb beta3 integrin receptor in human platelet rich plasma				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-IIb/beta-3 (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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Università di Napoli Federico II Curated by ChEMBL					Assay Description Inhibition of alpha IIb beta3 integrin receptor in human platelet rich plasma				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-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	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Università di Napoli Federico II Curated by ChEMBL					Assay Description Inhibition of alpha IIb beta3 integrin receptor in human platelet rich plasma				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-IIb/beta-3 (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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Università di Napoli Federico II Curated by ChEMBL					Assay Description Inhibition of alpha IIb beta3 integrin receptor in human platelet rich plasma				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-IIb/beta-3 (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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Università di Napoli Federico II Curated by ChEMBL					Assay Description Inhibition of alpha IIb beta3 integrin receptor in human platelet rich plasma				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