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BDBM50167924 CHEMBL3798381

SMILES: CNC(=O)c1ccc(c(OC)c1)-c1cc(cc2[nH]ncc12)C(F)(F)F

InChI Key: InChIKey=BHMRWHRWBMLFNH-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 = 50167924   
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 1A


(Homo sapiens (Human))
BDBM50167924
PNG
(CHEMBL3798381)
Show SMILES CNC(=O)c1ccc(c(OC)c1)-c1cc(cc2[nH]ncc12)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2/c1-21-16(24)9-3-4-11(15(5-9)25-2)12-6-10(17(18,19)20)7-14-13(12)8-22-23-14/h3-8H,1-2H3,(H,21,24)(H,22,23)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.58E+4n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of human CYP1A2 expressed in Escherichia coli DH5-alpha


Bioorg Med Chem Lett 26: 2774-2778 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.073
BindingDB Entry DOI: 10.7270/Q2DF6T4T
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50167924
PNG
(CHEMBL3798381)
Show SMILES CNC(=O)c1ccc(c(OC)c1)-c1cc(cc2[nH]ncc12)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2/c1-21-16(24)9-3-4-11(15(5-9)25-2)12-6-10(17(18,19)20)7-14-13(12)8-22-23-14/h3-8H,1-2H3,(H,21,24)(H,22,23)
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 15n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Reversal inhibition of full length recombinant human MetAP2 expressed in baculovirus infected insect Sf9 cells using Met-AMC as substrate measured fo...


Bioorg Med Chem Lett 26: 2774-2778 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.073
BindingDB Entry DOI: 10.7270/Q2DF6T4T
More data for this
Ligand-Target Pair