BDBM50222018 (1R,3aR,4aS,8aS,9S,9aS)-9-[(E)-2-[5-(2,3-dichlorophenyl)-2-pyridinyl]ethenyl]-decahydro-1-methyl-3H-furo[3,4-g][2]-benzopyran-3-one::CHEMBL244295

SMILES: C[C@H]1OC(=O)[C@@H]2C[C@@H]3COCC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(Cl)c3Cl)[C@H]12

InChI Key: InChIKey=NXTVZQVDWVOIHU-OGXOYPHSSA-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 = 50222018   

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))	BDBM50222018 ((1R,3aR,4aS,8aS,9S,9aS)-9-[(E)-2-[5-(2,3-dichlorop...) Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3COCC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(Cl)c3Cl)[C@H]12 Show InChI InChI=1S/C25H25Cl2NO3/c1-14-23-20(18-9-10-30-13-16(18)11-21(23)25(29)31-14)8-7-17-6-5-15(12-28-17)19-3-2-4-22(26)24(19)27/h2-8,12,14,16,18,20-21,23H,9-11,13H2,1H3/b8-7+/t14-,16-,18-,20+,21-,23+/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	21	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: 5147-60 (2007) Article DOI: 10.1021/jm070704k BindingDB Entry DOI: 10.7270/Q2SN08PK
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