Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Proteinase-activated receptor 1' and Ligand = 'BDBM50079749'   

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))	BDBM50079749 (7-(4-tert-Butyl-benzyl)-7H-pyrrolo[3,2-f]quinazoli...) Show SMILES CC(C)(C)c1ccc(Cn2ccc3c2ccc2nc(N)nc(N)c32)cc1 Show InChI InChI=1S/C21H23N5/c1-21(2,3)14-6-4-13(5-7-14)12-26-11-10-15-17(26)9-8-16-18(15)19(22)25-20(23)24-16/h4-11H,12H2,1-3H3,(H4,22,23,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.23E+3	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against binding to Thrombin receptor 1 (PAR-1)				Bioorg Med Chem Lett 9: 2073-8 (1999) BindingDB Entry DOI: 10.7270/Q25X284B
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