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BDBM50173449 (3R,3aS,4S,4aR,8aS,9aR)-3-Methyl-4-[(E)-2-(6-propyl-pyridin-2-yl)-vinyl]-decahydro-naphtho[2,3-c]furan-1-one::CHEMBL371294

SMILES: CCCc1cccc(\C=C\[C@@H]2[C@@H]3[C@@H](C)OC(=O)[C@@H]3C[C@@H]3CCCC[C@@H]23)n1

InChI Key: InChIKey=MSBYLAUFMVBIFB-SOAKPNSXSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50173449   
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))		BDBM50173449
PNG
((3R,3aS,4S,4aR,8aS,9aR)-3-Methyl-4-[(E)-2-(6-propy...)
Show SMILES CCCc1cccc(\C=C\[C@@H]2[C@@H]3[C@@H](C)OC(=O)[C@@H]3C[C@@H]3CCCC[C@@H]23)n1
Show InChI InChI=1S/C23H31NO2/c1-3-7-17-9-6-10-18(24-17)12-13-20-19-11-5-4-8-16(19)14-21-22(20)15(2)26-23(21)25/h6,9-10,12-13,15-16,19-22H,3-5,7-8,11,14H2,1-2H3/b13-12+/t15-,16+,19-,20+,21-,22+/m1/s1
PDB

KEGG

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Similars
Article
PubMed
n/an/a 250n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration aganist human protease activated receptor 1 using [3H]-haTRAP as radioligand

J Med Chem 48: 5884-7 (2005)


Article DOI: 10.1021/jm0502236
BindingDB Entry DOI: 10.7270/Q2V69J5Q
More data for this
Ligand-Target Pair