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BDBM50167925 CHEMBL3798047

SMILES: COc1cc(ccc1-c1cc(cc2[nH]ncc12)C(F)(F)F)C(=O)NCCO

InChI Key: InChIKey=MQBAPASGXUTVKD-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 = 50167925   
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)
BDBM50167925
PNG
(CHEMBL3798047)
Show SMILES COc1cc(ccc1-c1cc(cc2[nH]ncc12)C(F)(F)F)C(=O)NCCO
Show InChI InChI=1S/C18H16F3N3O3/c1-27-16-6-10(17(26)22-4-5-25)2-3-12(16)13-7-11(18(19,20)21)8-15-14(13)9-23-24-15/h2-3,6-9,25H,4-5H2,1H3,(H,22,26)(H,23,24)
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Medicinal Chemistry, Takeda California, United States.

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)

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


(Homo sapiens)
BDBM50167925
PNG
(CHEMBL3798047)
Show SMILES COc1cc(ccc1-c1cc(cc2[nH]ncc12)C(F)(F)F)C(=O)NCCO
Show InChI InChI=1S/C18H16F3N3O3/c1-27-16-6-10(17(26)22-4-5-25)2-3-12(16)13-7-11(18(19,20)21)8-15-14(13)9-23-24-15/h2-3,6-9,25H,4-5H2,1H3,(H,22,26)(H,23,24)
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 37n/an/an/an/a



Medicinal Chemistry, Takeda California, United States.

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)

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


(Homo sapiens (human))
BDBM50167925
PNG
(CHEMBL3798047)
Show SMILES COc1cc(ccc1-c1cc(cc2[nH]ncc12)C(F)(F)F)C(=O)NCCO
Show InChI InChI=1S/C18H16F3N3O3/c1-27-16-6-10(17(26)22-4-5-25)2-3-12(16)13-7-11(18(19,20)21)8-15-14(13)9-23-24-15/h2-3,6-9,25H,4-5H2,1H3,(H,22,26)(H,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a<5.01E+4n/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 DH5-alpha


Bioorg Med Chem Lett 26: 2774-2778 (2016)

More data for this
Ligand-Target Pair