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BDBM50314887 1'-(7-ethyl-1H-indazole-5-carbonyl)-5-methoxyspiro[chroman-2,4'-piperidin]-4-one::CHEMBL1092380

SMILES: CCc1cc(cc2cn[nH]c12)C(=O)N1CCC2(CC1)CC(=O)c1c(OC)cccc1O2

InChI Key: InChIKey=WNWMBBOWDDUFOF-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50314887   
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))
BDBM50314887
PNG
(1'-(7-ethyl-1H-indazole-5-carbonyl)-5-methoxyspiro...)
Show SMILES CCc1cc(cc2cn[nH]c12)C(=O)N1CCC2(CC1)CC(=O)c1c(OC)cccc1O2
Show InChI InChI=1S/C24H25N3O4/c1-3-15-11-16(12-17-14-25-26-22(15)17)23(29)27-9-7-24(8-10-27)13-18(28)21-19(30-2)5-4-6-20(21)31-24/h4-6,11-12,14H,3,7-10,13H2,1-2H3,(H,25,26)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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DrugBank
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 151n/an/an/an/an/an/a



Pfizer Inc

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))
BDBM50314887
PNG
(1'-(7-ethyl-1H-indazole-5-carbonyl)-5-methoxyspiro...)
Show SMILES CCc1cc(cc2cn[nH]c12)C(=O)N1CCC2(CC1)CC(=O)c1c(OC)cccc1O2
Show InChI InChI=1S/C24H25N3O4/c1-3-15-11-16(12-17-14-25-26-22(15)17)23(29)27-9-7-24(8-10-27)13-18(28)21-19(30-2)5-4-6-20(21)31-24/h4-6,11-12,14H,3,7-10,13H2,1-2H3,(H,25,26)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 102n/an/an/an/an/an/a



Pfizer Inc

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