BDBM50222022 (1R,3aR,4aS,8aS,9S,9aS)-9-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-decahydro-1-methyl-6-(methylsulfonyl)furo[3,4-g]isoquinolin-3(1H)-one::CHEMBL244315

SMILES: C[C@H]1OC(=O)[C@@H]2C[C@@H]3CN(CC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(F)c3)[C@H]12)S(C)(=O)=O

InChI Key: InChIKey=ZOMCZWSHLMHBCG-AREXFGDPSA-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 = 50222022   

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))	BDBM50222022 ((1R,3aR,4aS,8aS,9S,9aS)-9-[(E)-2-[5-(3-fluoropheny...) Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3CN(CC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(F)c3)[C@H]12)S(C)(=O)=O Show InChI InChI=1S/C26H29FN2O4S/c1-16-25-23(9-8-21-7-6-18(14-28-21)17-4-3-5-20(27)12-17)22-10-11-29(34(2,31)32)15-19(22)13-24(25)26(30)33-16/h3-9,12,14,16,19,22-25H,10-11,13,15H2,1-2H3/b9-8+/t16-,19-,22-,23+,24-,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	15	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
					More data for this Ligand-Target Pair