new BindingDB logo
myBDB logout

BDBM50172481 2-(4'-Cyclohexyl-2-fluoro-biphenyl-4-yl)-2-methyl-propionic acid::CHEMBL364738

SMILES: CC(C)(C(O)=O)c1ccc(c(F)c1)-c1ccc(cc1)C1CCCCC1

InChI Key: InChIKey=BRRLRVSLZIYEQP-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50172481   
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 2C9


(Homo sapiens (Human))
BDBM50172481
PNG
(2-(4'-Cyclohexyl-2-fluoro-biphenyl-4-yl)-2-methyl-...)
Show SMILES CC(C)(C(O)=O)c1ccc(c(F)c1)-c1ccc(cc1)C1CCCCC1
Show InChI InChI=1S/C22H25FO2/c1-22(2,21(24)25)18-12-13-19(20(23)14-18)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h8-15H,3-7H2,1-2H3,(H,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.80E+4n/an/an/an/an/an/a



Chiesi Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Interaction with human cytochrome P450 isoform 2C9 expressed in baculovirus-insect cells


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
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50172481
PNG
(2-(4'-Cyclohexyl-2-fluoro-biphenyl-4-yl)-2-methyl-...)
Show SMILES CC(C)(C(O)=O)c1ccc(c(F)c1)-c1ccc(cc1)C1CCCCC1
Show InChI InChI=1S/C22H25FO2/c1-22(2,21(24)25)18-12-13-19(20(23)14-18)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h8-15H,3-7H2,1-2H3,(H,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
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
Interaction with human cytochrome P450 isoform 3A4 expressed in baculovirus-insect cells


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