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BDBM50314906 1'-(7-methyl-1H-indazole-5-carbonyl)-6-(1-methyl-1H-pyrazol-3-yl)spiro[chroman-2,4'-piperidin]-4-one::CHEMBL1088893

SMILES: Cc1cc(cc2cn[nH]c12)C(=O)N1CCC2(CC1)CC(=O)c1cc(ccc1O2)-c1ccn(C)n1

InChI Key: InChIKey=OUTOUIHMLWJXDL-UHFFFAOYSA-N

Data: 2 IC50

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50314906   
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))
BDBM50314906
PNG
(1'-(7-methyl-1H-indazole-5-carbonyl)-6-(1-methyl-1...)
Show SMILES Cc1cc(cc2cn[nH]c12)C(=O)N1CCC2(CC1)CC(=O)c1cc(ccc1O2)-c1ccn(C)n1
Show InChI InChI=1S/C26H25N5O3/c1-16-11-18(12-19-15-27-28-24(16)19)25(33)31-9-6-26(7-10-31)14-22(32)20-13-17(3-4-23(20)34-26)21-5-8-30(2)29-21/h3-5,8,11-13,15H,6-7,9-10,14H2,1-2H3,(H,27,28)
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.10n/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))
BDBM50314906
PNG
(1'-(7-methyl-1H-indazole-5-carbonyl)-6-(1-methyl-1...)
Show SMILES Cc1cc(cc2cn[nH]c12)C(=O)N1CCC2(CC1)CC(=O)c1cc(ccc1O2)-c1ccn(C)n1
Show InChI InChI=1S/C26H25N5O3/c1-16-11-18(12-19-15-27-28-24(16)19)25(33)31-9-6-26(7-10-31)14-22(32)20-13-17(3-4-23(20)34-26)21-5-8-30(2)29-21/h3-5,8,11-13,15H,6-7,9-10,14H2,1-2H3,(H,27,28)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 31n/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