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BDBM50167276 CHEMBL3798844

SMILES: Fc1cc2n(-c3cccnc3)c3cn[nH]c3c2cc1F

InChI Key: InChIKey=PEWYGTLRHLRPDV-UHFFFAOYSA-N

Data: 2 IC50  1 EC50

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 3 hits for monomerid = 50167276   
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))
BDBM50167276
PNG
(CHEMBL3798844)
Show SMILES Fc1cc2n(-c3cccnc3)c3cn[nH]c3c2cc1F
Show InChI InChI=1S/C14H8F2N4/c15-10-4-9-12(5-11(10)16)20(8-2-1-3-17-6-8)13-7-18-19-14(9)13/h1-7H,(H,18,19)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 50n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of human CYP1A2 expressed in Escherichia coli DH5alpha


Bioorg Med Chem Lett 26: 2779-2783 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.072
BindingDB Entry DOI: 10.7270/Q29P33K9
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50167276
PNG
(CHEMBL3798844)
Show SMILES Fc1cc2n(-c3cccnc3)c3cn[nH]c3c2cc1F
Show InChI InChI=1S/C14H8F2N4/c15-10-4-9-12(5-11(10)16)20(8-2-1-3-17-6-8)13-7-18-19-14(9)13/h1-7H,(H,18,19)
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.90n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length human MetAP2 catalytic domain (110 to 478 residues) expressed in baculovirus using Met-AMC as substrate by fluo...


Bioorg Med Chem Lett 26: 2779-2783 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.072
BindingDB Entry DOI: 10.7270/Q29P33K9
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50167276
PNG
(CHEMBL3798844)
Show SMILES Fc1cc2n(-c3cccnc3)c3cn[nH]c3c2cc1F
Show InChI InChI=1S/C14H8F2N4/c15-10-4-9-12(5-11(10)16)20(8-2-1-3-17-6-8)13-7-18-19-14(9)13/h1-7H,(H,18,19)
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.26E+3n/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of human MetAP2 in HUVEC cells assessed as accumulation of N-Met 14-3-3gamma after 24 hrs by western blot analysis


Bioorg Med Chem Lett 26: 2779-2783 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.072
BindingDB Entry DOI: 10.7270/Q29P33K9
More data for this
Ligand-Target Pair