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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50167927   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50167927
PNG
(CHEMBL3800090)
Show SMILES Cc1cc(ccc1-c1cc(cc2[nH]ncc12)C(F)(F)F)C(=O)NCCO
Show InChI InChI=1S/C18H16F3N3O2/c1-10-6-11(17(26)22-4-5-25)2-3-13(10)14-7-12(18(19,20)21)8-16-15(14)9-23-24-16/h2-3,6-9,25H,4-5H2,1H3,(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 11n/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
Cytochrome P450 1A2


(Homo sapiens (Human))
BDBM50167927
PNG
(CHEMBL3800090)
Show SMILES Cc1cc(ccc1-c1cc(cc2[nH]ncc12)C(F)(F)F)C(=O)NCCO
Show InChI InChI=1S/C18H16F3N3O2/c1-10-6-11(17(26)22-4-5-25)2-3-13(10)14-7-12(18(19,20)21)8-16-15(14)9-23-24-16/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
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