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BDBM50136417 5-Cyano-1H-indole-2-carboxylic acid (1-methyl-2-oxo-1,2,3,4-tetrahydro-quinolin-3-yl)-amide::CHEMBL137196

SMILES: CN1C(=O)C(Cc2ccccc12)NC(=O)c1cc2cc(ccc2[nH]1)C#N

InChI Key: InChIKey=VDFAECYBULQGGS-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   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 = 50136417   
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
Muscle glycogen phosphorylase


(Homo sapiens (Human))
BDBM50136417
PNG
(5-Cyano-1H-indole-2-carboxylic acid (1-methyl-2-ox...)
Show SMILES CN1C(=O)C(Cc2ccccc12)NC(=O)c1cc2cc(ccc2[nH]1)C#N
Show InChI InChI=1S/C20H16N4O2/c1-24-18-5-3-2-4-13(18)9-17(20(24)26)23-19(25)16-10-14-8-12(11-21)6-7-15(14)22-16/h2-8,10,17,22H,9H2,1H3,(H,23,25)
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PC cid
PC sid
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PubMed
n/an/a 110n/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
Glycogen Phosphorylase (PYGL)


(Homo sapiens (Human))
BDBM50136417
PNG
(5-Cyano-1H-indole-2-carboxylic acid (1-methyl-2-ox...)
Show SMILES CN1C(=O)C(Cc2ccccc12)NC(=O)c1cc2cc(ccc2[nH]1)C#N
Show InChI InChI=1S/C20H16N4O2/c1-24-18-5-3-2-4-13(18)9-17(20(24)26)23-19(25)16-10-14-8-12(11-21)6-7-15(14)22-16/h2-8,10,17,22H,9H2,1H3,(H,23,25)
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Article
PubMed
n/an/a 180n/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
Glycogen Phosphorylase (PYGL)


(Homo sapiens (Human))
BDBM50136417
PNG
(5-Cyano-1H-indole-2-carboxylic acid (1-methyl-2-ox...)
Show SMILES CN1C(=O)C(Cc2ccccc12)NC(=O)c1cc2cc(ccc2[nH]1)C#N
Show InChI InChI=1S/C20H16N4O2/c1-24-18-5-3-2-4-13(18)9-17(20(24)26)23-19(25)16-10-14-8-12(11-21)6-7-15(14)22-16/h2-8,10,17,22H,9H2,1H3,(H,23,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 180n/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