Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for entry = 50005362   

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-IIb/beta-3 (Homo sapiens (Human))	BDBM50036088 (CHEMBL18734 | [(6S,13S)-13-(3-Guanidino-propyl)-14...) Show SMILES CN1[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)Nc2ccccc2SSc2ccccc2C1=O Show InChI InChI=1S/C26H31N7O6S2/c1-33-18(9-6-12-29-26(27)28)24(38)30-14-21(34)31-17(13-22(35)36)23(37)32-16-8-3-5-11-20(16)41-40-19-10-4-2-7-15(19)25(33)39/h2-5,7-8,10-11,17-18H,6,9,12-14H2,1H3,(H,30,38)(H,31,34)(H,32,37)(H,35,36)(H4,27,28,29)/t17-,18-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of [3H]-SKF- 107260 binding to purified alphaIIb-beta3 integrin of human platelets				J Med Chem 38: 9-12 (1995) BindingDB Entry DOI: 10.7270/Q2PN94PD
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50036089 (CHEMBL18288 | [8-(4-Carbamimidoyl-phenylcarbamoyl)...) Show SMILES NC(=N)c1ccc(NC(=O)c2ccc3CN(CCc4ccccc4)C(=O)C(CC(O)=O)Nc3c2)cc1 Show InChI InChI=1S/C27H27N5O4/c28-25(29)18-8-10-21(11-9-18)30-26(35)19-6-7-20-16-32(13-12-17-4-2-1-3-5-17)27(36)23(15-24(33)34)31-22(20)14-19/h1-11,14,23,31H,12-13,15-16H2,(H3,28,29)(H,30,35)(H,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of [3H]-SKF- 107260 binding to purified alphaIIb-beta3 integrin of human platelets				J Med Chem 38: 9-12 (1995) BindingDB Entry DOI: 10.7270/Q2PN94PD
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50036086 (CHEMBL18911 | [7-(4-Carbamimidoyl-phenylcarbamoyl)...) Show SMILES NC(=N)c1ccc(NC(=O)c2ccc3NC(CC(O)=O)C(=O)N(CCc4ccccc4)Cc3c2)cc1 Show InChI InChI=1S/C27H27N5O4/c28-25(29)18-6-9-21(10-7-18)30-26(35)19-8-11-22-20(14-19)16-32(13-12-17-4-2-1-3-5-17)27(36)23(31-22)15-24(33)34/h1-11,14,23,31H,12-13,15-16H2,(H3,28,29)(H,30,35)(H,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of [3H]-SKF- 107260 binding to purified alphaIIb-beta3 integrin of human platelets				J Med Chem 38: 9-12 (1995) BindingDB Entry DOI: 10.7270/Q2PN94PD
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50036087 (CHEMBL18562 | [(3R,12S,18S,21S)-18-(3-Guanidino-pr...) Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O Show InChI InChI=1S/C24H37N9O8/c25-24(26)27-7-1-4-13-20(38)28-11-17(34)30-14(10-19(36)37)21(39)29-12-18(35)32-8-3-6-16(32)23(41)33-9-2-5-15(33)22(40)31-13/h13-16H,1-12H2,(H,28,38)(H,29,39)(H,30,34)(H,31,40)(H,36,37)(H4,25,26,27)/t13-,14-,15-,16+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of [3H]-SKF- 107260 binding to purified alphaIIb-beta3 integrin of human platelets				J Med Chem 38: 9-12 (1995) BindingDB Entry DOI: 10.7270/Q2PN94PD
					More data for this Ligand-Target Pair