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BDBM50222013 (1R,3aR,4aS,8aS,9S,9aS)-9-[(E)-2-[5-(3-chlorophenyl)-2-pyridinyl]ethenyl]-decahydro-1-methyl-3H-furo[3,4-g][2]benzopyran-3-one::CHEMBL244103

SMILES: C[C@H]1OC(=O)[C@@H]2C[C@@H]3COCC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(Cl)c3)[C@H]12

InChI Key: InChIKey=SHGMAHKRDGDQMQ-RRVPNGAVSA-N

Data: 1 IC50

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50222013   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Proteinase-activated receptor 1


(Homo sapiens (Human))		BDBM50222013
PNG
((1R,3aR,4aS,8aS,9S,9aS)-9-[(E)-2-[5-(3-chloropheny...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3COCC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(Cl)c3)[C@H]12
Show InChI InChI=1S/C25H26ClNO3/c1-15-24-22(21-9-10-29-14-18(21)12-23(24)25(28)30-15)8-7-20-6-5-17(13-27-20)16-3-2-4-19(26)11-16/h2-8,11,13,15,18,21-24H,9-10,12,14H2,1H3/b8-7+/t15-,18-,21-,22+,23-,24+/m1/s1
PDB

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Similars
Article
PubMed
n/an/a 19n/an/an/an/an/an/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