Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Proteinase-activated receptor 1' and Ligand = 'BDBM50446327'   

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))	BDBM50446327 (CHEMBL3109574) Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3C[C@@H](CC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(c3)C(F)(F)F)[C@H]12)C(=O)Nc1ccncc1 |r| Show InChI InChI=1S/C33H32F3N3O3/c1-19-30-28(10-8-25-7-5-22(18-38-25)20-3-2-4-24(16-20)33(34,35)36)27-9-6-21(15-23(27)17-29(30)32(41)42-19)31(40)39-26-11-13-37-14-12-26/h2-5,7-8,10-14,16,18-19,21,23,27-30H,6,9,15,17H2,1H3,(H,37,39,40)/b10-8+/t19-,21-,23+,27-,28+,29-,30+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]haTRAP from PAR-1 isolated from human platelets by liquid scintillation counting analysis				ACS Med Chem Lett 5: 183-7 (2014) Article DOI: 10.1021/ml400452v BindingDB Entry DOI: 10.7270/Q2V40WPG
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