Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Proteinase-activated receptor 1' and Ligand = 'BDBM50105305'   

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))	BDBM50105305 (CHEMBL90698 | N-(4-{3-((R)-sec-Butyl)-3-[(S)-2-(3,...) Show SMILES CC[C@@H](C)N(C[C@@H](O)c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(CNC(=O)C(C)(C)C)cc1 Show InChI InChI=1S/C25H33Cl2N3O3/c1-6-16(2)30(15-22(31)18-9-12-20(26)21(27)13-18)24(33)29-19-10-7-17(8-11-19)14-28-23(32)25(3,4)5/h7-13,16,22,31H,6,14-15H2,1-5H3,(H,28,32)(H,29,33)/t16-,22-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	120	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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