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BDBM50172477 1-(4'-Cyclohexyl-2-fluoro-biphenyl-4-yl)-cyclopropanecarboxylic acid::CHEMBL194838

SMILES: OC(=O)C1(CC1)c1ccc(c(F)c1)-c1ccc(cc1)C1CCCCC1

InChI Key: InChIKey=CBZPNTGBQQEKFH-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50172477   
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
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50172477
PNG
(1-(4'-Cyclohexyl-2-fluoro-biphenyl-4-yl)-cycloprop...)
Show SMILES OC(=O)C1(CC1)c1ccc(c(F)c1)-c1ccc(cc1)C1CCCCC1
Show InChI InChI=1S/C22H23FO2/c23-20-14-18(22(12-13-22)21(24)25)10-11-19(20)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h6-11,14-15H,1-5,12-13H2,(H,24,25)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.90E+4n/an/an/an/an/an/a



Chiesi Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of cytochrome P450 3A4 at 100 uM; activation observed


J Med Chem 48: 5705-20 (2005)


Article DOI: 10.1021/jm0502541
BindingDB Entry DOI: 10.7270/Q2CC106W
More data for this
Ligand-Target Pair