Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Proteinase-activated receptor 1' and Ligand = 'BDBM50202075'   

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))	BDBM50202075 ((3R,3aS,4S,4aR,7R,8aR,9aR)-decahydro-7-hydroxy-3-m...) Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3C[C@H](O)CC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(C)c3)[C@H]12 |r| Show InChI InChI=1S/C27H31NO3/c1-16-4-3-5-18(12-16)19-6-7-21(28-15-19)8-10-24-23-11-9-22(29)13-20(23)14-25-26(24)17(2)31-27(25)30/h3-8,10,12,15,17,20,22-26,29H,9,11,13-14H2,1-2H3/b10-8+/t17-,20+,22-,23-,24+,25-,26+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	147	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]haTRAP from PAR1 in human platelet membrane				J Med Chem 50: 129-38 (2007) Article DOI: 10.1021/jm061043e BindingDB Entry DOI: 10.7270/Q22V2FS9
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