BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 4B1' and Ligand = 'BDBM50543291'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Cytochrome P450 4B1


(Homo sapiens)		BDBM50543291
PNG
(CHEMBL4644751)
Show SMILES C[C@H](C(=O)Nc1ccc(F)cc1)C12CC(C1)(C2)NC(=O)c1ccc(F)c(F)c1 |r|
Show InChI InChI=1S/C21H19F3N2O2/c1-12(18(27)25-15-5-3-14(22)4-6-15)20-9-21(10-20,11-20)26-19(28)13-2-7-16(23)17(24)8-13/h2-8,12H,9-11H2,1H3,(H,25,27)(H,26,28)/t12-,20?,21?/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Merck & Co. Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP450 (unknown origin)

ACS Med Chem Lett 11: 1548-1554 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00195
BindingDB Entry DOI: 10.7270/Q2RB786J
More data for this
Ligand-Target Pair