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BDBM50167920 CHEMBL3800546

SMILES: Fc1cnccc1-c1cc(cc2[nH]ncc12)C(F)(F)F

InChI Key: InChIKey=MSIBXQCGLUUGLM-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 = 50167920   
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))
BDBM50167920
PNG
(CHEMBL3800546)
Show SMILES Fc1cnccc1-c1cc(cc2[nH]ncc12)C(F)(F)F
Show InChI InChI=1S/C13H7F4N3/c14-11-6-18-2-1-8(11)9-3-7(13(15,16)17)4-12-10(9)5-19-20-12/h1-6H,(H,19,20)
PDB
MMDB

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KEGG

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

Patents

Article
PubMed
n/an/a 200n/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))
BDBM50167920
PNG
(CHEMBL3800546)
Show SMILES Fc1cnccc1-c1cc(cc2[nH]ncc12)C(F)(F)F
Show InChI InChI=1S/C13H7F4N3/c14-11-6-18-2-1-8(11)9-3-7(13(15,16)17)4-12-10(9)5-19-20-12/h1-6H,(H,19,20)
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 8n/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