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BDBM50173441 (3R,3aS,4S,4aR,8aS,9aR)-3-Methyl-4-[(E)-2-(6-methylamino-pyridin-2-yl)-vinyl]-decahydro-naphtho[2,3-c]furan-1-one::CHEMBL197782

SMILES: CNc1cccc(\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=YIHJWSQMZAFBKL-HRQPNYTOSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50173441   
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))		BDBM50173441
PNG
((3R,3aS,4S,4aR,8aS,9aR)-3-Methyl-4-[(E)-2-(6-methy...)
Show SMILES CNc1cccc(\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/C21H28N2O2/c1-13-20-17(11-10-15-7-5-9-19(22-2)23-15)16-8-4-3-6-14(16)12-18(20)21(24)25-13/h5,7,9-11,13-14,16-18,20H,3-4,6,8,12H2,1-2H3,(H,22,23)/b11-10+/t13-,14+,16-,17+,18-,20+/m1/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.25E+3n/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