Compile Data Set for Download or QSAR

Found 33 hits Enz. Inhib. hit(s) with Target = 'Integrin alpha-2/beta-1 [T112H]' AND taxid = 9606   

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-2/beta-1 [T112H] (Homo sapiens (Human))	BDBM19053 ((2S)-2-{[(2R)-1-(benzenesulfonyl)pyrrolidin-2-yl]f...) Show SMILES OC(=O)[C@H](CNC(=O)NCc1ccccc1)NC(=O)C1CCCN1S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C22H26N4O6S/c27-20(19-12-7-13-26(19)33(31,32)17-10-5-2-6-11-17)25-18(21(28)29)15-24-22(30)23-14-16-8-3-1-4-9-16/h1-6,8-11,18-19H,7,12-15H2,(H,25,27)(H,28,29)(H2,23,24,30)/t18-,19?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	7.4	37
University of Pennsylvania					Assay Description Flat bottom microtiter plates (96-well) were coated with soluble type I collagen. Unoccupied protein binding sites on the wells were blocked with bov...				J Med Chem 50: 5457-62 (2007) Article DOI: 10.1021/jm070252b BindingDB Entry DOI: 10.7270/Q2FN14GH
					More data for this Ligand-Target Pair
Integrin alpha-2/beta-1 [T112H] (Homo sapiens (Human))	BDBM19066 ((2S)-3-[(benzylcarbamoyl)amino]-2-{[(2S)-1-[(3,5-d...) Show SMILES OC(=O)[C@H](CNC(=O)NCc1ccccc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C22H24Cl2N4O6S/c23-15-9-16(24)11-17(10-15)35(33,34)28-8-4-7-19(28)20(29)27-18(21(30)31)13-26-22(32)25-12-14-5-2-1-3-6-14/h1-3,5-6,9-11,18-19H,4,7-8,12-13H2,(H,27,29)(H,30,31)(H2,25,26,32)/t18-,19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	7.4	37
University of Pennsylvania					Assay Description Flat bottom microtiter plates (96-well) were coated with soluble type I collagen. Unoccupied protein binding sites on the wells were blocked with bov...				J Med Chem 50: 5457-62 (2007) Article DOI: 10.1021/jm070252b BindingDB Entry DOI: 10.7270/Q2FN14GH
					More data for this Ligand-Target Pair
Integrin alpha-2/beta-1 [T112H] (Homo sapiens (Human))	BDBM19057 ((2S)-3-({[(4-aminophenyl)methyl]carbamoyl}amino)-2...) Show SMILES Nc1ccc(CNC(=O)NC[C@H](NC(=O)C2CCCN2S(=O)(=O)c2ccccc2)C(O)=O)cc1 |r| Show InChI InChI=1S/C22H27N5O6S/c23-16-10-8-15(9-11-16)13-24-22(31)25-14-18(21(29)30)26-20(28)19-7-4-12-27(19)34(32,33)17-5-2-1-3-6-17/h1-3,5-6,8-11,18-19H,4,7,12-14,23H2,(H,26,28)(H,29,30)(H2,24,25,31)/t18-,19?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	7.4	37
University of Pennsylvania					Assay Description Flat bottom microtiter plates (96-well) were coated with soluble type I collagen. Unoccupied protein binding sites on the wells were blocked with bov...				J Med Chem 50: 5457-62 (2007) Article DOI: 10.1021/jm070252b BindingDB Entry DOI: 10.7270/Q2FN14GH
					More data for this Ligand-Target Pair
Integrin alpha-2/beta-1 [T112H] (Homo sapiens (Human))	BDBM19063 ((2S)-3-[(benzylcarbamoyl)amino]-2-{[(2S)-1-[(3,5-d...) Show SMILES Cc1cc(C)cc(c1)S(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](CNC(=O)NCc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C24H30N4O6S/c1-16-11-17(2)13-19(12-16)35(33,34)28-10-6-9-21(28)22(29)27-20(23(30)31)15-26-24(32)25-14-18-7-4-3-5-8-18/h3-5,7-8,11-13,20-21H,6,9-10,14-15H2,1-2H3,(H,27,29)(H,30,31)(H2,25,26,32)/t20-,21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	7.4	37
University of Pennsylvania					Assay Description Flat bottom microtiter plates (96-well) were coated with soluble type I collagen. Unoccupied protein binding sites on the wells were blocked with bov...				J Med Chem 50: 5457-62 (2007) Article DOI: 10.1021/jm070252b BindingDB Entry DOI: 10.7270/Q2FN14GH
					More data for this Ligand-Target Pair
Integrin alpha-2/beta-1 [T112H] (Homo sapiens (Human))	BDBM19065 ((2S)-3-[(benzylcarbamoyl)amino]-2-{[(2S)-1-[(3,5-d...) Show SMILES OC(=O)[C@H](CNC(=O)NCc1ccccc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C22H24F2N4O6S/c23-15-9-16(24)11-17(10-15)35(33,34)28-8-4-7-19(28)20(29)27-18(21(30)31)13-26-22(32)25-12-14-5-2-1-3-6-14/h1-3,5-6,9-11,18-19H,4,7-8,12-13H2,(H,27,29)(H,30,31)(H2,25,26,32)/t18-,19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	7.4	37
University of Pennsylvania					Assay Description Flat bottom microtiter plates (96-well) were coated with soluble type I collagen. Unoccupied protein binding sites on the wells were blocked with bov...				J Med Chem 50: 5457-62 (2007) Article DOI: 10.1021/jm070252b BindingDB Entry DOI: 10.7270/Q2FN14GH
					More data for this Ligand-Target Pair
Integrin alpha-2/beta-1 [T112H] (Homo sapiens (Human))	BDBM19070 ((2S)-3-[(benzylcarbamoyl)amino]-2-{[(2S)-1-[(4-met...) Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](CNC(=O)NCc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C23H28N4O6S/c1-16-9-11-18(12-10-16)34(32,33)27-13-5-8-20(27)21(28)26-19(22(29)30)15-25-23(31)24-14-17-6-3-2-4-7-17/h2-4,6-7,9-12,19-20H,5,8,13-15H2,1H3,(H,26,28)(H,29,30)(H2,24,25,31)/t19-,20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	7.4	37
University of Pennsylvania					Assay Description Flat bottom microtiter plates (96-well) were coated with soluble type I collagen. Unoccupied protein binding sites on the wells were blocked with bov...				J Med Chem 50: 5457-62 (2007) Article DOI: 10.1021/jm070252b BindingDB Entry DOI: 10.7270/Q2FN14GH
					More data for this Ligand-Target Pair
Integrin alpha-2/beta-1 [T112H] (Homo sapiens (Human))	BDBM19064 ((2S)-3-[(benzylcarbamoyl)amino]-2-{[(2S)-1-{[3,5-b...) Show SMILES OC(=O)[C@H](CNC(=O)NCc1ccccc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C24H24F6N4O6S/c25-23(26,27)15-9-16(24(28,29)30)11-17(10-15)41(39,40)34-8-4-7-19(34)20(35)33-18(21(36)37)13-32-22(38)31-12-14-5-2-1-3-6-14/h1-3,5-6,9-11,18-19H,4,7-8,12-13H2,(H,33,35)(H,36,37)(H2,31,32,38)/t18-,19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	7.4	37
University of Pennsylvania					Assay Description Flat bottom microtiter plates (96-well) were coated with soluble type I collagen. Unoccupied protein binding sites on the wells were blocked with bov...				J Med Chem 50: 5457-62 (2007) Article DOI: 10.1021/jm070252b BindingDB Entry DOI: 10.7270/Q2FN14GH
					More data for this Ligand-Target Pair
Integrin alpha-2/beta-1 [T112H] (Homo sapiens (Human))	BDBM19068 ((2S)-3-[(benzylcarbamoyl)amino]-2-{[(2S)-1-(naphth...) Show SMILES OC(=O)[C@H](CNC(=O)NCc1ccccc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C26H28N4O6S/c31-24(29-22(25(32)33)17-28-26(34)27-16-18-7-2-1-3-8-18)23-11-6-14-30(23)37(35,36)21-13-12-19-9-4-5-10-20(19)15-21/h1-5,7-10,12-13,15,22-23H,6,11,14,16-17H2,(H,29,31)(H,32,33)(H2,27,28,34)/t22-,23-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	7.4	37
University of Pennsylvania					Assay Description Flat bottom microtiter plates (96-well) were coated with soluble type I collagen. Unoccupied protein binding sites on the wells were blocked with bov...				J Med Chem 50: 5457-62 (2007) Article DOI: 10.1021/jm070252b BindingDB Entry DOI: 10.7270/Q2FN14GH
					More data for this Ligand-Target Pair
Integrin alpha-2/beta-1 [T112H] (Homo sapiens (Human))	BDBM19071 ((2S)-3-[(benzylcarbamoyl)amino]-2-{[(2S)-1-[(4-met...) Show SMILES CS(=O)(=O)c1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](CNC(=O)NCc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C23H28N4O8S2/c1-36(32,33)17-9-11-18(12-10-17)37(34,35)27-13-5-8-20(27)21(28)26-19(22(29)30)15-25-23(31)24-14-16-6-3-2-4-7-16/h2-4,6-7,9-12,19-20H,5,8,13-15H2,1H3,(H,26,28)(H,29,30)(H2,24,25,31)/t19-,20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	7.4	37
University of Pennsylvania					Assay Description Flat bottom microtiter plates (96-well) were coated with soluble type I collagen. Unoccupied protein binding sites on the wells were blocked with bov...				J Med Chem 50: 5457-62 (2007) Article DOI: 10.1021/jm070252b BindingDB Entry DOI: 10.7270/Q2FN14GH
					More data for this Ligand-Target Pair
Integrin alpha-2/beta-1 [T112H] (Homo sapiens (Human))	BDBM19066 ((2S)-3-[(benzylcarbamoyl)amino]-2-{[(2S)-1-[(3,5-d...) Show SMILES OC(=O)[C@H](CNC(=O)NCc1ccccc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C22H24Cl2N4O6S/c23-15-9-16(24)11-17(10-15)35(33,34)28-8-4-7-19(28)20(29)27-18(21(30)31)13-26-22(32)25-12-14-5-2-1-3-6-14/h1-3,5-6,9-11,18-19H,4,7-8,12-13H2,(H,27,29)(H,30,31)(H2,25,26,32)/t18-,19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	83	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania					Assay Description The ligand was immobilized on 96-well flat microtiter in PBS buffer solution overnight, and the wells were blocked with 1% BSA in HBSS buffer solutio...				J Med Chem 50: 5457-62 (2007) Article DOI: 10.1021/jm070252b BindingDB Entry DOI: 10.7270/Q2FN14GH
					More data for this Ligand-Target Pair
Integrin alpha-2/beta-1 [T112H] (Homo sapiens (Human))	BDBM19063 ((2S)-3-[(benzylcarbamoyl)amino]-2-{[(2S)-1-[(3,5-d...) Show SMILES Cc1cc(C)cc(c1)S(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](CNC(=O)NCc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C24H30N4O6S/c1-16-11-17(2)13-19(12-16)35(33,34)28-10-6-9-21(28)22(29)27-20(23(30)31)15-26-24(32)25-14-18-7-4-3-5-8-18/h3-5,7-8,11-13,20-21H,6,9-10,14-15H2,1-2H3,(H,27,29)(H,30,31)(H2,25,26,32)/t20-,21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	89	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania					Assay Description The ligand was immobilized on 96-well flat microtiter in PBS buffer solution overnight, and the wells were blocked with 1% BSA in HBSS buffer solutio...				J Med Chem 50: 5457-62 (2007) Article DOI: 10.1021/jm070252b BindingDB Entry DOI: 10.7270/Q2FN14GH
					More data for this Ligand-Target Pair
Integrin alpha-2/beta-1 [T112H] (Homo sapiens (Human))	BDBM19057 ((2S)-3-({[(4-aminophenyl)methyl]carbamoyl}amino)-2...) Show SMILES Nc1ccc(CNC(=O)NC[C@H](NC(=O)C2CCCN2S(=O)(=O)c2ccccc2)C(O)=O)cc1 |r| Show InChI InChI=1S/C22H27N5O6S/c23-16-10-8-15(9-11-16)13-24-22(31)25-14-18(21(29)30)26-20(28)19-7-4-12-27(19)34(32,33)17-5-2-1-3-6-17/h1-3,5-6,8-11,18-19H,4,7,12-14,23H2,(H,26,28)(H,29,30)(H2,24,25,31)/t18-,19?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	102	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania					Assay Description The ligand was immobilized on 96-well flat microtiter in PBS buffer solution overnight, and the wells were blocked with 1% BSA in HBSS buffer solutio...				J Med Chem 50: 5457-62 (2007) Article DOI: 10.1021/jm070252b BindingDB Entry DOI: 10.7270/Q2FN14GH
					More data for this Ligand-Target Pair
Integrin alpha-2/beta-1 [T112H] (Homo sapiens (Human))	BDBM19072 ((2S)-3-[(benzylcarbamoyl)amino]-2-{[(2S)-1-[(4-nit...) Show SMILES OC(=O)[C@H](CNC(=O)NCc1ccccc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(cc1)[N+]([O-])=O |r| Show InChI InChI=1S/C22H25N5O8S/c28-20(25-18(21(29)30)14-24-22(31)23-13-15-5-2-1-3-6-15)19-7-4-12-26(19)36(34,35)17-10-8-16(9-11-17)27(32)33/h1-3,5-6,8-11,18-19H,4,7,12-14H2,(H,25,28)(H,29,30)(H2,23,24,31)/t18-,19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	105	n/a	n/a	n/a	n/a	7.4	37
University of Pennsylvania					Assay Description Flat bottom microtiter plates (96-well) were coated with soluble type I collagen. Unoccupied protein binding sites on the wells were blocked with bov...				J Med Chem 50: 5457-62 (2007) Article DOI: 10.1021/jm070252b BindingDB Entry DOI: 10.7270/Q2FN14GH
					More data for this Ligand-Target Pair
Integrin alpha-2/beta-1 [T112H] (Homo sapiens (Human))	BDBM19058 ((2S)-2-{[(2R)-1-(benzenesulfonyl)pyrrolidin-2-yl]f...) Show SMILES OC(=O)[C@H](CNC(=O)NCc1ccccc1Cl)NC(=O)C1CCCN1S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C22H25ClN4O6S/c23-17-10-5-4-7-15(17)13-24-22(31)25-14-18(21(29)30)26-20(28)19-11-6-12-27(19)34(32,33)16-8-2-1-3-9-16/h1-5,7-10,18-19H,6,11-14H2,(H,26,28)(H,29,30)(H2,24,25,31)/t18-,19?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	107	n/a	n/a	n/a	n/a	7.4	37
University of Pennsylvania					Assay Description Flat bottom microtiter plates (96-well) were coated with soluble type I collagen. Unoccupied protein binding sites on the wells were blocked with bov...				J Med Chem 50: 5457-62 (2007) Article DOI: 10.1021/jm070252b BindingDB Entry DOI: 10.7270/Q2FN14GH
					More data for this Ligand-Target Pair
Integrin alpha-2/beta-1 [T112H] (Homo sapiens (Human))	BDBM19061 ((2S)-2-{[(2R)-1-(benzenesulfonyl)pyrrolidin-2-yl]f...) Show SMILES COc1ccc(CNC(=O)NC[C@H](NC(=O)C2CCCN2S(=O)(=O)c2ccccc2)C(O)=O)cc1 |r| Show InChI InChI=1S/C23H28N4O7S/c1-34-17-11-9-16(10-12-17)14-24-23(31)25-15-19(22(29)30)26-21(28)20-8-5-13-27(20)35(32,33)18-6-3-2-4-7-18/h2-4,6-7,9-12,19-20H,5,8,13-15H2,1H3,(H,26,28)(H,29,30)(H2,24,25,31)/t19-,20?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	108	n/a	n/a	n/a	n/a	7.4	37
University of Pennsylvania					Assay Description Flat bottom microtiter plates (96-well) were coated with soluble type I collagen. Unoccupied protein binding sites on the wells were blocked with bov...				J Med Chem 50: 5457-62 (2007) Article DOI: 10.1021/jm070252b BindingDB Entry DOI: 10.7270/Q2FN14GH
					More data for this Ligand-Target Pair
Integrin alpha-2/beta-1 [T112H] (Homo sapiens (Human))	BDBM19074 ((2S)-3-[(benzylcarbamoyl)amino]-2-{[(2S)-1-[(4-ace...) Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](CNC(=O)NCc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C24H29N5O7S/c1-16(30)27-18-9-11-19(12-10-18)37(35,36)29-13-5-8-21(29)22(31)28-20(23(32)33)15-26-24(34)25-14-17-6-3-2-4-7-17/h2-4,6-7,9-12,20-21H,5,8,13-15H2,1H3,(H,27,30)(H,28,31)(H,32,33)(H2,25,26,34)/t20-,21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	131	n/a	n/a	n/a	n/a	7.4	37
University of Pennsylvania					Assay Description Flat bottom microtiter plates (96-well) were coated with soluble type I collagen. Unoccupied protein binding sites on the wells were blocked with bov...				J Med Chem 50: 5457-62 (2007) Article DOI: 10.1021/jm070252b BindingDB Entry DOI: 10.7270/Q2FN14GH
					More data for this Ligand-Target Pair
Integrin alpha-2/beta-1 [T112H] (Homo sapiens (Human))	BDBM19053 ((2S)-2-{[(2R)-1-(benzenesulfonyl)pyrrolidin-2-yl]f...) Show SMILES OC(=O)[C@H](CNC(=O)NCc1ccccc1)NC(=O)C1CCCN1S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C22H26N4O6S/c27-20(19-12-7-13-26(19)33(31,32)17-10-5-2-6-11-17)25-18(21(28)29)15-24-22(30)23-14-16-8-3-1-4-9-16/h1-6,8-11,18-19H,7,12-15H2,(H,25,27)(H,28,29)(H2,23,24,30)/t18-,19?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	138	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania					Assay Description The ligand was immobilized on 96-well flat microtiter in PBS buffer solution overnight, and the wells were blocked with 1% BSA in HBSS buffer solutio...				J Med Chem 50: 5457-62 (2007) Article DOI: 10.1021/jm070252b BindingDB Entry DOI: 10.7270/Q2FN14GH
					More data for this Ligand-Target Pair
Integrin alpha-2/beta-1 [T112H] (Homo sapiens (Human))	BDBM19073 ((2S)-2-{[(2S)-1-[(4-aminobenzene)sulfonyl]pyrrolid...) Show SMILES Nc1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](CNC(=O)NCc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C22H27N5O6S/c23-16-8-10-17(11-9-16)34(32,33)27-12-4-7-19(27)20(28)26-18(21(29)30)14-25-22(31)24-13-15-5-2-1-3-6-15/h1-3,5-6,8-11,18-19H,4,7,12-14,23H2,(H,26,28)(H,29,30)(H2,24,25,31)/t18-,19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	144	n/a	n/a	n/a	n/a	7.4	37
University of Pennsylvania					Assay Description Flat bottom microtiter plates (96-well) were coated with soluble type I collagen. Unoccupied protein binding sites on the wells were blocked with bov...				J Med Chem 50: 5457-62 (2007) Article DOI: 10.1021/jm070252b BindingDB Entry DOI: 10.7270/Q2FN14GH
					More data for this Ligand-Target Pair
Integrin alpha-2/beta-1 [T112H] (Homo sapiens (Human))	BDBM19075 ((2S)-3-[(benzylcarbamoyl)amino]-2-{[(2S)-1-({4-[(p...) Show SMILES OC(=O)[C@H](CNC(=O)NCc1ccccc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 |r| Show InChI InChI=1S/C29H32N6O7S/c36-26(34-24(27(37)38)19-31-28(39)30-18-20-8-3-1-4-9-20)25-12-7-17-35(25)43(41,42)23-15-13-22(14-16-23)33-29(40)32-21-10-5-2-6-11-21/h1-6,8-11,13-16,24-25H,7,12,17-19H2,(H,34,36)(H,37,38)(H2,30,31,39)(H2,32,33,40)/t24-,25-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	151	n/a	n/a	n/a	n/a	7.4	37
University of Pennsylvania					Assay Description Flat bottom microtiter plates (96-well) were coated with soluble type I collagen. Unoccupied protein binding sites on the wells were blocked with bov...				J Med Chem 50: 5457-62 (2007) Article DOI: 10.1021/jm070252b BindingDB Entry DOI: 10.7270/Q2FN14GH
					More data for this Ligand-Target Pair
Integrin alpha-2/beta-1 [T112H] (Homo sapiens (Human))	BDBM19060 ((2S)-2-{[(2R)-1-(benzenesulfonyl)pyrrolidin-2-yl]f...) Show SMILES COc1cccc(CNC(=O)NC[C@H](NC(=O)C2CCCN2S(=O)(=O)c2ccccc2)C(O)=O)c1 |r| Show InChI InChI=1S/C23H28N4O7S/c1-34-17-8-5-7-16(13-17)14-24-23(31)25-15-19(22(29)30)26-21(28)20-11-6-12-27(20)35(32,33)18-9-3-2-4-10-18/h2-5,7-10,13,19-20H,6,11-12,14-15H2,1H3,(H,26,28)(H,29,30)(H2,24,25,31)/t19-,20?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	7.4	37
University of Pennsylvania					Assay Description Flat bottom microtiter plates (96-well) were coated with soluble type I collagen. Unoccupied protein binding sites on the wells were blocked with bov...				J Med Chem 50: 5457-62 (2007) Article DOI: 10.1021/jm070252b BindingDB Entry DOI: 10.7270/Q2FN14GH
					More data for this Ligand-Target Pair
Integrin alpha-2/beta-1 [T112H] (Homo sapiens (Human))	BDBM19068 ((2S)-3-[(benzylcarbamoyl)amino]-2-{[(2S)-1-(naphth...) Show SMILES OC(=O)[C@H](CNC(=O)NCc1ccccc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C26H28N4O6S/c31-24(29-22(25(32)33)17-28-26(34)27-16-18-7-2-1-3-8-18)23-11-6-14-30(23)37(35,36)21-13-12-19-9-4-5-10-20(19)15-21/h1-5,7-10,12-13,15,22-23H,6,11,14,16-17H2,(H,29,31)(H,32,33)(H2,27,28,34)/t22-,23-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	177	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania					Assay Description The ligand was immobilized on 96-well flat microtiter in PBS buffer solution overnight, and the wells were blocked with 1% BSA in HBSS buffer solutio...				J Med Chem 50: 5457-62 (2007) Article DOI: 10.1021/jm070252b BindingDB Entry DOI: 10.7270/Q2FN14GH
					More data for this Ligand-Target Pair
Integrin alpha-2/beta-1 [T112H] (Homo sapiens (Human))	BDBM19052 ((2S)-2-{[(2R)-1-(benzenesulfonyl)pyrrolidin-2-yl]f...) Show SMILES OC(=O)[C@H](CNC(=O)OCc1ccccc1)NC(=O)C1CCCN1S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C22H25N3O7S/c26-20(19-12-7-13-25(19)33(30,31)17-10-5-2-6-11-17)24-18(21(27)28)14-23-22(29)32-15-16-8-3-1-4-9-16/h1-6,8-11,18-19H,7,12-15H2,(H,23,29)(H,24,26)(H,27,28)/t18-,19?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	185	n/a	n/a	n/a	n/a	7.4	37
University of Pennsylvania					Assay Description Flat bottom microtiter plates (96-well) were coated with soluble type I collagen. Unoccupied protein binding sites on the wells were blocked with bov...				J Med Chem 50: 5457-62 (2007) Article DOI: 10.1021/jm070252b BindingDB Entry DOI: 10.7270/Q2FN14GH
					More data for this Ligand-Target Pair
Integrin alpha-2/beta-1 [T112H] (Homo sapiens (Human))	BDBM19055 ((2S)-2-{[(2R)-1-(benzenesulfonyl)pyrrolidin-2-yl]f...) Show SMILES CC(C)(C)NC(=O)NC[C@H](NC(=O)C1CCCN1S(=O)(=O)c1ccccc1)C(O)=O |r| Show InChI InChI=1S/C19H28N4O6S/c1-19(2,3)22-18(27)20-12-14(17(25)26)21-16(24)15-10-7-11-23(15)30(28,29)13-8-5-4-6-9-13/h4-6,8-9,14-15H,7,10-12H2,1-3H3,(H,21,24)(H,25,26)(H2,20,22,27)/t14-,15?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	185	n/a	n/a	n/a	n/a	7.4	37
University of Pennsylvania					Assay Description Flat bottom microtiter plates (96-well) were coated with soluble type I collagen. Unoccupied protein binding sites on the wells were blocked with bov...				J Med Chem 50: 5457-62 (2007) Article DOI: 10.1021/jm070252b BindingDB Entry DOI: 10.7270/Q2FN14GH
					More data for this Ligand-Target Pair
Integrin alpha-2/beta-1 [T112H] (Homo sapiens (Human))	BDBM19076 ((2S)-3-[(benzylcarbamoyl)amino]-2-{[(2S)-1-{[4-(2-...) Show SMILES OC(=O)[C@H](CNC(=O)NCc1ccccc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(NC(=O)Cc2ccccc2)cc1 |r| Show InChI InChI=1S/C30H33N5O7S/c36-27(18-21-8-3-1-4-9-21)33-23-13-15-24(16-14-23)43(41,42)35-17-7-12-26(35)28(37)34-25(29(38)39)20-32-30(40)31-19-22-10-5-2-6-11-22/h1-6,8-11,13-16,25-26H,7,12,17-20H2,(H,33,36)(H,34,37)(H,38,39)(H2,31,32,40)/t25-,26-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	236	n/a	n/a	n/a	n/a	7.4	37
University of Pennsylvania					Assay Description Flat bottom microtiter plates (96-well) were coated with soluble type I collagen. Unoccupied protein binding sites on the wells were blocked with bov...				J Med Chem 50: 5457-62 (2007) Article DOI: 10.1021/jm070252b BindingDB Entry DOI: 10.7270/Q2FN14GH
					More data for this Ligand-Target Pair
Integrin alpha-2/beta-1 [T112H] (Homo sapiens (Human))	BDBM19069 ((2S)-3-[(benzylcarbamoyl)amino]-2-{[(2S)-1-[(4-phe...) Show SMILES OC(=O)[C@H](CNC(=O)NCc1ccccc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C28H30N4O6S/c33-26(31-24(27(34)35)19-30-28(36)29-18-20-8-3-1-4-9-20)25-12-7-17-32(25)39(37,38)23-15-13-22(14-16-23)21-10-5-2-6-11-21/h1-6,8-11,13-16,24-25H,7,12,17-19H2,(H,31,33)(H,34,35)(H2,29,30,36)/t24-,25-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	287	n/a	n/a	n/a	n/a	7.4	37
University of Pennsylvania					Assay Description Flat bottom microtiter plates (96-well) were coated with soluble type I collagen. Unoccupied protein binding sites on the wells were blocked with bov...				J Med Chem 50: 5457-62 (2007) Article DOI: 10.1021/jm070252b BindingDB Entry DOI: 10.7270/Q2FN14GH
					More data for this Ligand-Target Pair
Integrin alpha-2/beta-1 [T112H] (Homo sapiens (Human))	BDBM19056 ((2S)-2-{[(2R)-1-(benzenesulfonyl)pyrrolidin-2-yl]f...) Show SMILES OC(=O)[C@H](CNC(=O)Nc1ccccc1)NC(=O)C1CCCN1S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C21H24N4O6S/c26-19(18-12-7-13-25(18)32(30,31)16-10-5-2-6-11-16)24-17(20(27)28)14-22-21(29)23-15-8-3-1-4-9-15/h1-6,8-11,17-18H,7,12-14H2,(H,24,26)(H,27,28)(H2,22,23,29)/t17-,18?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	296	n/a	n/a	n/a	n/a	7.4	37
University of Pennsylvania					Assay Description Flat bottom microtiter plates (96-well) were coated with soluble type I collagen. Unoccupied protein binding sites on the wells were blocked with bov...				J Med Chem 50: 5457-62 (2007) Article DOI: 10.1021/jm070252b BindingDB Entry DOI: 10.7270/Q2FN14GH
					More data for this Ligand-Target Pair
Integrin alpha-2/beta-1 [T112H] (Homo sapiens (Human))	BDBM19054 ((2S)-2-{[(2R)-1-(benzenesulfonyl)pyrrolidin-2-yl]f...) Show SMILES CCCNC(=O)NC[C@H](NC(=O)C1CCCN1S(=O)(=O)c1ccccc1)C(O)=O |r| Show InChI InChI=1S/C18H26N4O6S/c1-2-10-19-18(26)20-12-14(17(24)25)21-16(23)15-9-6-11-22(15)29(27,28)13-7-4-3-5-8-13/h3-5,7-8,14-15H,2,6,9-12H2,1H3,(H,21,23)(H,24,25)(H2,19,20,26)/t14-,15?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	357	n/a	n/a	n/a	n/a	7.4	37
University of Pennsylvania					Assay Description Flat bottom microtiter plates (96-well) were coated with soluble type I collagen. Unoccupied protein binding sites on the wells were blocked with bov...				J Med Chem 50: 5457-62 (2007) Article DOI: 10.1021/jm070252b BindingDB Entry DOI: 10.7270/Q2FN14GH
					More data for this Ligand-Target Pair
Integrin alpha-2/beta-1 [T112H] (Homo sapiens (Human))	BDBM19050 ((2S)-2-{[(2R)-1-(benzenesulfonyl)pyrrolidin-2-yl]f...) Show SMILES OC(=O)[C@H](CNC(=O)CCc1ccccc1)NC(=O)C1CCCN1S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C23H27N3O6S/c27-21(14-13-17-8-3-1-4-9-17)24-16-19(23(29)30)25-22(28)20-12-7-15-26(20)33(31,32)18-10-5-2-6-11-18/h1-6,8-11,19-20H,7,12-16H2,(H,24,27)(H,25,28)(H,29,30)/t19-,20?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	367	n/a	n/a	n/a	n/a	7.4	37
University of Pennsylvania					Assay Description Flat bottom microtiter plates (96-well) were coated with soluble type I collagen. Unoccupied protein binding sites on the wells were blocked with bov...				J Med Chem 50: 5457-62 (2007) Article DOI: 10.1021/jm070252b BindingDB Entry DOI: 10.7270/Q2FN14GH
					More data for this Ligand-Target Pair
Integrin alpha-2/beta-1 [T112H] (Homo sapiens (Human))	BDBM19059 ((2S)-2-{[(2R)-1-(benzenesulfonyl)pyrrolidin-2-yl]f...) Show SMILES COc1ccccc1CNC(=O)NC[C@H](NC(=O)C1CCCN1S(=O)(=O)c1ccccc1)C(O)=O |r| Show InChI InChI=1S/C23H28N4O7S/c1-34-20-12-6-5-8-16(20)14-24-23(31)25-15-18(22(29)30)26-21(28)19-11-7-13-27(19)35(32,33)17-9-3-2-4-10-17/h2-6,8-10,12,18-19H,7,11,13-15H2,1H3,(H,26,28)(H,29,30)(H2,24,25,31)/t18-,19?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	467	n/a	n/a	n/a	n/a	7.4	37
University of Pennsylvania					Assay Description Flat bottom microtiter plates (96-well) were coated with soluble type I collagen. Unoccupied protein binding sites on the wells were blocked with bov...				J Med Chem 50: 5457-62 (2007) Article DOI: 10.1021/jm070252b BindingDB Entry DOI: 10.7270/Q2FN14GH
					More data for this Ligand-Target Pair
Integrin alpha-2/beta-1 [T112H] (Homo sapiens (Human))	BDBM19049 ((2S)-2-{[(2R)-1-(benzenesulfonyl)pyrrolidin-2-yl]f...) Show SMILES OC(=O)[C@H](CNC(=O)c1ccccc1)NC(=O)C1CCCN1S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C21H23N3O6S/c25-19(15-8-3-1-4-9-15)22-14-17(21(27)28)23-20(26)18-12-7-13-24(18)31(29,30)16-10-5-2-6-11-16/h1-6,8-11,17-18H,7,12-14H2,(H,22,25)(H,23,26)(H,27,28)/t17-,18?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	660	n/a	n/a	n/a	n/a	7.4	37
University of Pennsylvania					Assay Description Flat bottom microtiter plates (96-well) were coated with soluble type I collagen. Unoccupied protein binding sites on the wells were blocked with bov...				J Med Chem 50: 5457-62 (2007) Article DOI: 10.1021/jm070252b BindingDB Entry DOI: 10.7270/Q2FN14GH
					More data for this Ligand-Target Pair
Integrin alpha-2/beta-1 [T112H] (Homo sapiens (Human))	BDBM19051 ((2S)-2-{[(2R)-1-(benzenesulfonyl)pyrrolidin-2-yl]f...) Show SMILES OC(=O)[C@H](CNS(=O)(=O)CCc1ccccc1)NC(=O)C1CCCN1S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C22H27N3O7S2/c26-21(20-12-7-14-25(20)34(31,32)18-10-5-2-6-11-18)24-19(22(27)28)16-23-33(29,30)15-13-17-8-3-1-4-9-17/h1-6,8-11,19-20,23H,7,12-16H2,(H,24,26)(H,27,28)/t19-,20?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	7.4	37
University of Pennsylvania					Assay Description Flat bottom microtiter plates (96-well) were coated with soluble type I collagen. Unoccupied protein binding sites on the wells were blocked with bov...				J Med Chem 50: 5457-62 (2007) Article DOI: 10.1021/jm070252b BindingDB Entry DOI: 10.7270/Q2FN14GH
					More data for this Ligand-Target Pair
Integrin alpha-2/beta-1 [T112H] (Homo sapiens (Human))	BDBM19062 ((2S)-2-{[(2S)-1-benzoylpyrrolidin-2-yl]formamido}-...) Show SMILES OC(=O)[C@H](CNC(=O)NCc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1 |r| Show InChI InChI=1S/C23H26N4O5/c28-20(19-12-7-13-27(19)21(29)17-10-5-2-6-11-17)26-18(22(30)31)15-25-23(32)24-14-16-8-3-1-4-9-16/h1-6,8-11,18-19H,7,12-15H2,(H,26,28)(H,30,31)(H2,24,25,32)/t18-,19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	7.4	37
University of Pennsylvania					Assay Description Flat bottom microtiter plates (96-well) were coated with soluble type I collagen. Unoccupied protein binding sites on the wells were blocked with bov...				J Med Chem 50: 5457-62 (2007) Article DOI: 10.1021/jm070252b BindingDB Entry DOI: 10.7270/Q2FN14GH
					More data for this Ligand-Target Pair
Integrin alpha-2/beta-1 [T112H] (Homo sapiens (Human))	BDBM19067 ((2S)-3-[(benzylcarbamoyl)amino]-2-{[(2S)-1-[(2,6-d...) Show SMILES OC(=O)[C@H](CNC(=O)NCc1ccccc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1c(Cl)cccc1Cl |r| Show InChI InChI=1S/C22H24Cl2N4O6S/c23-15-8-4-9-16(24)19(15)35(33,34)28-11-5-10-18(28)20(29)27-17(21(30)31)13-26-22(32)25-12-14-6-2-1-3-7-14/h1-4,6-9,17-18H,5,10-13H2,(H,27,29)(H,30,31)(H2,25,26,32)/t17-,18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	7.4	37
University of Pennsylvania					Assay Description Flat bottom microtiter plates (96-well) were coated with soluble type I collagen. Unoccupied protein binding sites on the wells were blocked with bov...				J Med Chem 50: 5457-62 (2007) Article DOI: 10.1021/jm070252b BindingDB Entry DOI: 10.7270/Q2FN14GH
					More data for this Ligand-Target Pair