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BDBM50167916 CHEMBL3798615

SMILES: FC(F)(F)c1cc(-c2cncc(c2)C#N)c2cn[nH]c2c1

InChI Key: InChIKey=SCPCVOHBNFGSEL-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 = 50167916   
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))
BDBM50167916
PNG
(CHEMBL3798615)
Show SMILES FC(F)(F)c1cc(-c2cncc(c2)C#N)c2cn[nH]c2c1
Show InChI InChI=1S/C14H7F3N4/c15-14(16,17)10-2-11(12-7-20-21-13(12)3-10)9-1-8(4-18)5-19-6-9/h1-3,5-7H,(H,20,21)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 316n/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))
BDBM50167916
PNG
(CHEMBL3798615)
Show SMILES FC(F)(F)c1cc(-c2cncc(c2)C#N)c2cn[nH]c2c1
Show InChI InChI=1S/C14H7F3N4/c15-14(16,17)10-2-11(12-7-20-21-13(12)3-10)9-1-8(4-18)5-19-6-9/h1-3,5-7H,(H,20,21)
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 3n/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