Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Proteinase-activated receptor 1' and Ligand = 'BDBM50105321'   

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))	BDBM50105321 (CHEMBL88513 | N-(4-{3-Cyclopropyl-3-[(S)-2-(3,4-di...) Show SMILES CC(C)(C)C(=O)NCc1ccc(NC(=O)N(C[C@@H](O)c2ccc(Cl)c(Cl)c2)C2CC2)cc1 Show InChI InChI=1S/C24H29Cl2N3O3/c1-24(2,3)22(31)27-13-15-4-7-17(8-5-15)28-23(32)29(18-9-10-18)14-21(30)16-6-11-19(25)20(26)12-16/h4-8,11-12,18,21,30H,9-10,13-14H2,1-3H3,(H,27,31)(H,28,32)/t21-/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	2.10E+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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