BDBM50222034 (1R,3aR,4aS,8aS,9S,9aS)-N-ethyl-dodecahydro-1-methyl-3-oxo-9-[(e)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]furo[3,4-g]-isoquinoline-6-carboxamide::CHEMBL397480

SMILES: CCNC(=O)N1CC[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=XHORWCJGETUHBJ-JTORJZGBSA-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 = 50222034   

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))	BDBM50222034 ((1R,3aR,4aS,8aS,9S,9aS)-N-ethyl-dodecahydro-1-meth...) Show SMILES CCNC(=O)N1CC[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 |w:20.22| Show InChI InChI=1S/C28H32FN3O3/c1-3-30-28(34)32-12-11-23-20(16-32)14-25-26(17(2)35-27(25)33)24(23)10-9-22-8-7-19(15-31-22)18-5-4-6-21(29)13-18/h4-10,13,15,17,20,23-26H,3,11-12,14,16H2,1-2H3,(H,30,34)/t17-,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	18.5	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