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BDBM50314939 5'-methoxy-7'-methyl-1-(7-methyl-1H-indazole-5-carbonyl)spiro[piperidine-4,2'-pyrano[3,2-c]pyridin]-4'(3'H)-one::CHEMBL1090179

SMILES: COc1nc(C)cc2OC3(CCN(CC3)C(=O)c3cc(C)c4[nH]ncc4c3)CC(=O)c12

InChI Key: InChIKey=ZWYRWHZIJAUHPE-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50314939   
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
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50314939
PNG
(5'-methoxy-7'-methyl-1-(7-methyl-1H-indazole-5-car...)
Show SMILES COc1nc(C)cc2OC3(CCN(CC3)C(=O)c3cc(C)c4[nH]ncc4c3)CC(=O)c12
Show InChI InChI=1S/C23H24N4O4/c1-13-8-15(10-16-12-24-26-20(13)16)22(29)27-6-4-23(5-7-27)11-17(28)19-18(31-23)9-14(2)25-21(19)30-3/h8-10,12H,4-7,11H2,1-3H3,(H,24,26)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 48n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC2 expressed in CHO cells after 1 hr by fluorescence reader


Bioorg Med Chem Lett 20: 2383-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.04.091
BindingDB Entry DOI: 10.7270/Q22N52DW
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Rattus norvegicus (Rat))
BDBM50314939
PNG
(5'-methoxy-7'-methyl-1-(7-methyl-1H-indazole-5-car...)
Show SMILES COc1nc(C)cc2OC3(CCN(CC3)C(=O)c3cc(C)c4[nH]ncc4c3)CC(=O)c12
Show InChI InChI=1S/C23H24N4O4/c1-13-8-15(10-16-12-24-26-20(13)16)22(29)27-6-4-23(5-7-27)11-17(28)19-18(31-23)9-14(2)25-21(19)30-3/h8-10,12H,4-7,11H2,1-3H3,(H,24,26)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 34n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rat liver ACC1 after 7 mins by liquid scintillation counter


Bioorg Med Chem Lett 20: 2383-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.04.091
BindingDB Entry DOI: 10.7270/Q22N52DW
More data for this
Ligand-Target Pair