BDBM50202080 (3R,3aS,4S,4aR,7R,8aR,9aR)-decahydro-7-hydroxy-3-methyl-4-[(E)-2-[5-(2,5-dichlorophenyl)-2-pyridinyl]ethenyl]naphtho-[2,3-c]furan-1(3H)-one::CHEMBL218449

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)-c3cc(Cl)ccc3Cl)[C@H]12

InChI Key: InChIKey=WDFOUPJHFKUMCX-CAQLRORISA-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 = 50202080   

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))	BDBM50202080 ((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)-c3cc(Cl)ccc3Cl)[C@H]12 |r| Show InChI InChI=1S/C26H27Cl2NO3/c1-14-25-21(20-8-6-19(30)10-16(20)11-23(25)26(31)32-14)7-5-18-4-2-15(13-29-18)22-12-17(27)3-9-24(22)28/h2-5,7,9,12-14,16,19-21,23,25,30H,6,8,10-11H2,1H3/b7-5+/t14-,16+,19-,20-,21+,23-,25+/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	97	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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