BDBM50173444 (3R,3aS,4S,4aR,8aS,9aR)-4-[(E)-2-(6-Benzyl-pyridin-2-yl)-vinyl]-3-methyl-decahydro-naphtho[2,3-c]furan-1-one::CHEMBL197248

SMILES: C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](\C=C\c3cccc(Cc4ccccc4)n3)[C@H]12

InChI Key: InChIKey=NCAYYLYJZJAIJB-QGQOSMOKSA-N

Data: 1 IC50

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 = 50173444   

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))	BDBM50173444 ((3R,3aS,4S,4aR,8aS,9aR)-4-[(E)-2-(6-Benzyl-pyridin...) Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](\C=C\c3cccc(Cc4ccccc4)n3)[C@H]12 Show InChI InChI=1S/C27H31NO2/c1-18-26-24(23-13-6-5-10-20(23)17-25(26)27(29)30-18)15-14-21-11-7-12-22(28-21)16-19-8-3-2-4-9-19/h2-4,7-9,11-12,14-15,18,20,23-26H,5-6,10,13,16-17H2,1H3/b15-14+/t18-,20+,23-,24+,25-,26+/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory concentration aganist human protease activated receptor 1 using [3H]-haTRAP as radioligand				J Med Chem 48: 5884-7 (2005) Article DOI: 10.1021/jm0502236 BindingDB Entry DOI: 10.7270/Q2V69J5Q
					More data for this Ligand-Target Pair