Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Proteinase-activated receptor 1' and Ligand = 'BDBM50105311'   

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
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM50105311 (CHEMBL90682 | N-(4-{3-[(S)-2-(3,4-Dichloro-phenyl)...) Show SMILES CC(C)N(C[C@@H](O)c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(CNC(=O)c2ccc(cc2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C26H28Cl2N4O5S/c1-16(2)32(15-24(33)19-7-12-22(27)23(28)13-19)26(35)31-20-8-3-17(4-9-20)14-30-25(34)18-5-10-21(11-6-18)38(29,36)37/h3-13,16,24,33H,14-15H2,1-2H3,(H,30,34)(H,31,35)(H2,29,36,37)/t24-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity of the compound against platelet thrombin receptor				Bioorg Med Chem Lett 11: 2691-6 (2001) BindingDB Entry DOI: 10.7270/Q26Q1WJ1
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