BindingDB logo
myBDB logout

null

SMILES: C1Cc2ccccc2CN1c1cc(nc(n1)-c1ccncc1)-c1cccnc1

InChI Key: InChIKey=SJGQAPOPJGHCLN-UHFFFAOYSA-N

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 1 hit for monomerid = 50536193   
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 3A4


(Homo sapiens (Human))		BDBM50536193
PNG
(CHEMBL548646 | GNF-Pf-1447 | TCMDC-125419)
Show SMILES C1Cc2ccccc2CN1c1cc(nc(n1)-c1ccncc1)-c1cccnc1
Show InChI InChI=1S/C23H19N5/c1-2-5-20-16-28(13-9-17(20)4-1)22-14-21(19-6-3-10-25-15-19)26-23(27-22)18-7-11-24-12-8-18/h1-8,10-12,14-15H,9,13,16H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 100n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human CYP3A4 expressed in Escherichia coli pre-incubated for 5 mins before regenerating cofactor solution addition using Diethoxyfluore...

J Med Chem 59: 6101-20 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00028
More data for this
Ligand-Target Pair