Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Integrin alpha-IIb/beta-3' and Ligand = 'BDBM50006302'   

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))	BDBM50006302 (6-Carboxymethyl-12-(3-guanidino-propyl)-15-methyl-...) Show SMILES C[C@@H]1NC(=O)CS(=O)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O Show InChI InChI=1S/C20H32N8O10S/c1-9-16(33)27-10(3-2-4-23-20(21)22)17(34)24-6-13(29)26-11(5-15(31)32)18(35)28-12(19(36)37)7-39(38)8-14(30)25-9/h9-12H,2-8H2,1H3,(H,24,34)(H,25,30)(H,26,29)(H,27,33)(H,28,35)(H,31,32)(H,36,37)(H4,21,22,23)/t9-,10-,11-,12-,39?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description The compound was tested for the inhibition of fibrinogen receptor				J Med Chem 35: 2040-8 (1992) BindingDB Entry DOI: 10.7270/Q2S1833Q
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50006302 (6-Carboxymethyl-12-(3-guanidino-propyl)-15-methyl-...) Show SMILES C[C@@H]1NC(=O)CS(=O)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O Show InChI InChI=1S/C20H32N8O10S/c1-9-16(33)27-10(3-2-4-23-20(21)22)17(34)24-6-13(29)26-11(5-15(31)32)18(35)28-12(19(36)37)7-39(38)8-14(30)25-9/h9-12H,2-8H2,1H3,(H,24,34)(H,25,30)(H,26,29)(H,27,33)(H,28,35)(H,31,32)(H,36,37)(H4,21,22,23)/t9-,10-,11-,12-,39?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description The compound was tested for the inhibition of fibrinogen receptor				J Med Chem 35: 2040-8 (1992) BindingDB Entry DOI: 10.7270/Q2S1833Q
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50006302 (6-Carboxymethyl-12-(3-guanidino-propyl)-15-methyl-...) Show SMILES C[C@@H]1NC(=O)CS(=O)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O Show InChI InChI=1S/C20H32N8O10S/c1-9-16(33)27-10(3-2-4-23-20(21)22)17(34)24-6-13(29)26-11(5-15(31)32)18(35)28-12(19(36)37)7-39(38)8-14(30)25-9/h9-12H,2-8H2,1H3,(H,24,34)(H,25,30)(H,26,29)(H,27,33)(H,28,35)(H,31,32)(H,36,37)(H4,21,22,23)/t9-,10-,11-,12-,39?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	610	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of ADP-induced platelet aggregation in human platelet-rich plasma				J Med Chem 35: 2040-8 (1992) BindingDB Entry DOI: 10.7270/Q2S1833Q
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50006302 (6-Carboxymethyl-12-(3-guanidino-propyl)-15-methyl-...) Show SMILES C[C@@H]1NC(=O)CS(=O)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O Show InChI InChI=1S/C20H32N8O10S/c1-9-16(33)27-10(3-2-4-23-20(21)22)17(34)24-6-13(29)26-11(5-15(31)32)18(35)28-12(19(36)37)7-39(38)8-14(30)25-9/h9-12H,2-8H2,1H3,(H,24,34)(H,25,30)(H,26,29)(H,27,33)(H,28,35)(H,31,32)(H,36,37)(H4,21,22,23)/t9-,10-,11-,12-,39?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	610	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of ADP-induced platelet aggregation in human platelet-rich plasma				J Med Chem 35: 2040-8 (1992) BindingDB Entry DOI: 10.7270/Q2S1833Q
					More data for this Ligand-Target Pair