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BDBM50136418 1H-Indole-2-carboxylic acid (1-methyl-2-oxo-1,2,3,4-tetrahydro-quinolin-3-yl)-amide::CHEMBL136218

SMILES: CN1C(=O)C(Cc2ccccc12)NC(=O)c1cc2ccccc2[nH]1

InChI Key: InChIKey=UXGBWTAKUZNVBG-UHFFFAOYSA-N

Data: 3 IC50

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

Found 3 hits for monomerid = 50136418   
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
Glycogen Phosphorylase (PYGL)


(Homo sapiens (Human))
BDBM50136418
PNG
(1H-Indole-2-carboxylic acid (1-methyl-2-oxo-1,2,3,...)
Show SMILES CN1C(=O)C(Cc2ccccc12)NC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C19H17N3O2/c1-22-17-9-5-3-7-13(17)11-16(19(22)24)21-18(23)15-10-12-6-2-4-8-14(12)20-15/h2-10,16,20H,11H2,1H3,(H,21,23)
PDB
MMDB

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PC cid
PC sid
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Similars

PubMed
n/an/a 160n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human liver glycogen phosphorylase a (HLGPa)


Bioorg Med Chem Lett 13: 4385-8 (2003)


BindingDB Entry DOI: 10.7270/Q2S75FQV
More data for this
Ligand-Target Pair
Glycogen Phosphorylase (PYGL)


(Homo sapiens (Human))
BDBM50136418
PNG
(1H-Indole-2-carboxylic acid (1-methyl-2-oxo-1,2,3,...)
Show SMILES CN1C(=O)C(Cc2ccccc12)NC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C19H17N3O2/c1-22-17-9-5-3-7-13(17)11-16(19(22)24)21-18(23)15-10-12-6-2-4-8-14(12)20-15/h2-10,16,20H,11H2,1H3,(H,21,23)
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Article
PubMed
n/an/a 160n/an/an/an/an/an/a



Applied Science University

Curated by ChEMBL


Assay Description
Inhibition of human liver glycogen phosphorylase 1a assessed as release of phosphate from glucose-1- phosphate after 20 mins


Bioorg Med Chem 19: 4746-71 (2011)


Article DOI: 10.1016/j.bmc.2011.06.086
BindingDB Entry DOI: 10.7270/Q2028RXJ
More data for this
Ligand-Target Pair
Muscle glycogen phosphorylase


(Homo sapiens (Human))
BDBM50136418
PNG
(1H-Indole-2-carboxylic acid (1-methyl-2-oxo-1,2,3,...)
Show SMILES CN1C(=O)C(Cc2ccccc12)NC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C19H17N3O2/c1-22-17-9-5-3-7-13(17)11-16(19(22)24)21-18(23)15-10-12-6-2-4-8-14(12)20-15/h2-10,16,20H,11H2,1H3,(H,21,23)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 56n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human muscle glycogen phosphorylase a (HMGPa)


Bioorg Med Chem Lett 13: 4385-8 (2003)


BindingDB Entry DOI: 10.7270/Q2S75FQV
More data for this
Ligand-Target Pair