new BindingDB logo
myBDB logout

BDBM50167926 CHEMBL3798871

SMILES: OCCNC(=O)c1ccc(c(F)c1)-c1cc(cc2[nH]ncc12)C(F)(F)F

InChI Key: InChIKey=KVBBKLNPTAGDQO-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 = 50167926   
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 (Human))
BDBM50167926
PNG
(CHEMBL3798871)
Show SMILES OCCNC(=O)c1ccc(c(F)c1)-c1cc(cc2[nH]ncc12)C(F)(F)F
Show InChI InChI=1S/C17H13F4N3O2/c18-14-5-9(16(26)22-3-4-25)1-2-11(14)12-6-10(17(19,20)21)7-15-13(12)8-23-24-15/h1-2,5-8,25H,3-4H2,(H,22,26)(H,23,24)
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4n/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
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50167926
PNG
(CHEMBL3798871)
Show SMILES OCCNC(=O)c1ccc(c(F)c1)-c1cc(cc2[nH]ncc12)C(F)(F)F
Show InChI InChI=1S/C17H13F4N3O2/c18-14-5-9(16(26)22-3-4-25)1-2-11(14)12-6-10(17(19,20)21)7-15-13(12)8-23-24-15/h1-2,5-8,25H,3-4H2,(H,22,26)(H,23,24)
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 234n/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of MetAP2 in HUVEC assessed as accumulation of N-Met-14-3-3gamma after 24 hrs by Western blot method


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
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50167926
PNG
(CHEMBL3798871)
Show SMILES OCCNC(=O)c1ccc(c(F)c1)-c1cc(cc2[nH]ncc12)C(F)(F)F
Show InChI InChI=1S/C17H13F4N3O2/c18-14-5-9(16(26)22-3-4-25)1-2-11(14)12-6-10(17(19,20)21)7-15-13(12)8-23-24-15/h1-2,5-8,25H,3-4H2,(H,22,26)(H,23,24)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a<5.01E+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