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BDBM50136450 7-Chloro-1H-indole-2-carboxylic acid (1-methyl-2-oxo-1,2,3,4-tetrahydro-quinolin-3-yl)-amide::CHEMBL136168

SMILES: CN1C(=O)C(Cc2ccccc12)NC(=O)c1cc2cccc(Cl)c2[nH]1

InChI Key: InChIKey=FPTUMUAOXPDCRC-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 = 50136450   
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))
BDBM50136450
PNG
(7-Chloro-1H-indole-2-carboxylic acid (1-methyl-2-o...)
Show SMILES CN1C(=O)C(Cc2ccccc12)NC(=O)c1cc2cccc(Cl)c2[nH]1
Show InChI InChI=1S/C19H16ClN3O2/c1-23-16-8-3-2-5-11(16)9-15(19(23)25)22-18(24)14-10-12-6-4-7-13(20)17(12)21-14/h2-8,10,15,21H,9H2,1H3,(H,22,24)
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PC cid
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PubMed
n/an/a 88n/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))
BDBM50136450
PNG
(7-Chloro-1H-indole-2-carboxylic acid (1-methyl-2-o...)
Show SMILES CN1C(=O)C(Cc2ccccc12)NC(=O)c1cc2cccc(Cl)c2[nH]1
Show InChI InChI=1S/C19H16ClN3O2/c1-23-16-8-3-2-5-11(16)9-15(19(23)25)22-18(24)14-10-12-6-4-7-13(20)17(12)21-14/h2-8,10,15,21H,9H2,1H3,(H,22,24)
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Article
PubMed
n/an/a 88n/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))
BDBM50136450
PNG
(7-Chloro-1H-indole-2-carboxylic acid (1-methyl-2-o...)
Show SMILES CN1C(=O)C(Cc2ccccc12)NC(=O)c1cc2cccc(Cl)c2[nH]1
Show InChI InChI=1S/C19H16ClN3O2/c1-23-16-8-3-2-5-11(16)9-15(19(23)25)22-18(24)14-10-12-6-4-7-13(20)17(12)21-14/h2-8,10,15,21H,9H2,1H3,(H,22,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 88n/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