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BDBM50167921 CHEMBL3800534

SMILES: COc1ncc(c(OC)n1)-c1cc(cc2[nH]ncc12)C(F)(F)F

InChI Key: InChIKey=NLPCFFYBCGCRIT-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 = 50167921   
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))
BDBM50167921
PNG
(CHEMBL3800534)
Show SMILES COc1ncc(c(OC)n1)-c1cc(cc2[nH]ncc12)C(F)(F)F
Show InChI InChI=1S/C14H11F3N4O2/c1-22-12-10(5-18-13(20-12)23-2)8-3-7(14(15,16)17)4-11-9(8)6-19-21-11/h3-6H,1-2H3,(H,19,21)
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))
BDBM50167921
PNG
(CHEMBL3800534)
Show SMILES COc1ncc(c(OC)n1)-c1cc(cc2[nH]ncc12)C(F)(F)F
Show InChI InChI=1S/C14H11F3N4O2/c1-22-12-10(5-18-13(20-12)23-2)8-3-7(14(15,16)17)4-11-9(8)6-19-21-11/h3-6H,1-2H3,(H,19,21)
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
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