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BDBM50167281 CHEMBL3799796

SMILES: Cc1nc2n(C)cnc2cc1-n1c2cn[nH]c2c2cc(F)ccc12

InChI Key: InChIKey=IUZBXISRROMZSL-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 = 50167281   
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)
BDBM50167281
PNG
(CHEMBL3799796)
Show SMILES Cc1nc2n(C)cnc2cc1-n1c2cn[nH]c2c2cc(F)ccc12
Show InChI InChI=1S/C17H13FN6/c1-9-14(6-12-17(21-9)23(2)8-19-12)24-13-4-3-10(18)5-11(13)16-15(24)7-20-22-16/h3-8H,1-2H3,(H,20,22)
KEGG

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PC sid
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Article
PubMed
n/an/an/an/a 25n/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))
BDBM50167281
PNG
(CHEMBL3799796)
Show SMILES Cc1nc2n(C)cnc2cc1-n1c2cn[nH]c2c2cc(F)ccc12
Show InChI InChI=1S/C17H13FN6/c1-9-14(6-12-17(21-9)23(2)8-19-12)24-13-4-3-10(18)5-11(13)16-15(24)7-20-22-16/h3-8H,1-2H3,(H,20,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


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Article
PubMed
n/an/a 2.00E+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 DH5alpha


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

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


(Homo sapiens)
BDBM50167281
PNG
(CHEMBL3799796)
Show SMILES Cc1nc2n(C)cnc2cc1-n1c2cn[nH]c2c2cc(F)ccc12
Show InChI InChI=1S/C17H13FN6/c1-9-14(6-12-17(21-9)23(2)8-19-12)24-13-4-3-10(18)5-11(13)16-15(24)7-20-22-16/h3-8H,1-2H3,(H,20,22)
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 10n/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