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BDBM50314928 1'-(7-methyl-1H-indazole-5-carbonyl)-6-(2-methyloxazol-5-yl)spiro[chroman-2,4'-piperidin]-4-one::CHEMBL1089547

SMILES: Cc1ncc(o1)-c1ccc2OC3(CCN(CC3)C(=O)c3cc(C)c4[nH]ncc4c3)CC(=O)c2c1

InChI Key: InChIKey=ZSBGSQQUYYBHSW-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50314928   
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))
BDBM50314928
PNG
(1'-(7-methyl-1H-indazole-5-carbonyl)-6-(2-methylox...)
Show SMILES Cc1ncc(o1)-c1ccc2OC3(CCN(CC3)C(=O)c3cc(C)c4[nH]ncc4c3)CC(=O)c2c1
Show InChI InChI=1S/C26H24N4O4/c1-15-9-18(10-19-13-28-29-24(15)19)25(32)30-7-5-26(6-8-30)12-21(31)20-11-17(3-4-22(20)34-26)23-14-27-16(2)33-23/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,28,29)
PDB
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KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 39n/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))
BDBM50314928
PNG
(1'-(7-methyl-1H-indazole-5-carbonyl)-6-(2-methylox...)
Show SMILES Cc1ncc(o1)-c1ccc2OC3(CCN(CC3)C(=O)c3cc(C)c4[nH]ncc4c3)CC(=O)c2c1
Show InChI InChI=1S/C26H24N4O4/c1-15-9-18(10-19-13-28-29-24(15)19)25(32)30-7-5-26(6-8-30)12-21(31)20-11-17(3-4-22(20)34-26)23-14-27-16(2)33-23/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,28,29)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 17n/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