BDBM50261112 CHEMBL494816::propyl (1R,3aR,4aR,6R,8aR,9S,9aS)-9-((E)-2-(5-(3-fluorophenyl)pyridin-2-yl)vinyl)-1-methyl-3-oxo-dodecahydronaphtho[2,3-c]furan-6-ylcarbamate

SMILES: CCCOC(=O)N[C@@H]1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2C=Cc2ccc(cn2)-c2cccc(F)c2)C1

InChI Key: InChIKey=IPDVJPDFPQFXHJ-OJTWWSMXSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50261112   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50261112 (CHEMBL494816 | propyl (1R,3aR,4aR,6R,8aR,9S,9aS)-9...) Show SMILES CCCOC(=O)N[C@@H]1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2C=Cc2ccc(cn2)-c2cccc(F)c2)C1 |r,w:22.24| Show InChI InChI=1S/C30H35FN2O4/c1-3-13-36-30(35)33-24-10-11-25-21(15-24)16-27-28(18(2)37-29(27)34)26(25)12-9-23-8-7-20(17-32-23)19-5-4-6-22(31)14-19/h4-9,12,14,17-18,21,24-28H,3,10-11,13,15-16H2,1-2H3,(H,33,35)/t18-,21+,24-,25-,26+,27-,28+/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	17	n/a	n/a	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 platelets				J Med Chem 51: 3061-4 (2008) Article DOI: 10.1021/jm800180e BindingDB Entry DOI: 10.7270/Q28W3D3H
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