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BDBM50167280 CHEMBL3797259

SMILES: OCCNC(=O)c1ccc(cc1)-n1c2cn[nH]c2c2cc(F)ccc12

InChI Key: InChIKey=RZXSROGFHJQWNH-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 = 50167280   
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
Microtubule-associated protein 2


(Homo sapiens)
BDBM50167280
PNG
(CHEMBL3797259)
Show SMILES OCCNC(=O)c1ccc(cc1)-n1c2cn[nH]c2c2cc(F)ccc12
Show InChI InChI=1S/C18H15FN4O2/c19-12-3-6-15-14(9-12)17-16(10-21-22-17)23(15)13-4-1-11(2-5-13)18(25)20-7-8-24/h1-6,9-10,24H,7-8H2,(H,20,25)(H,21,22)
KEGG

UniProtKB/SwissProt

DrugBank
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.00E+3n/an/an/an/a



Medicinal Chemistry, Takeda California, United States.

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)

More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50167280
PNG
(CHEMBL3797259)
Show SMILES OCCNC(=O)c1ccc(cc1)-n1c2cn[nH]c2c2cc(F)ccc12
Show InChI InChI=1S/C18H15FN4O2/c19-12-3-6-15-14(9-12)17-16(10-21-22-17)23(15)13-4-1-11(2-5-13)18(25)20-7-8-24/h1-6,9-10,24H,7-8H2,(H,20,25)(H,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 7.94E+3n/an/an/an/an/an/a



Medicinal Chemistry, Takeda California, United States.

Curated by ChEMBL


Assay Description
Inhibition of human CYP1A2 expressed in Escherichia coli DH5alpha


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

More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens)
BDBM50167280
PNG
(CHEMBL3797259)
Show SMILES OCCNC(=O)c1ccc(cc1)-n1c2cn[nH]c2c2cc(F)ccc12
Show InChI InChI=1S/C18H15FN4O2/c19-12-3-6-15-14(9-12)17-16(10-21-22-17)23(15)13-4-1-11(2-5-13)18(25)20-7-8-24/h1-6,9-10,24H,7-8H2,(H,20,25)(H,21,22)
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.30n/an/an/an/an/an/a



Medicinal Chemistry, Takeda California, United States.

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)

More data for this
Ligand-Target Pair