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BDBM50136428 5-Chloro-1H-indole-2-carboxylic acid ((S)-1-methyl-2-oxo-1,2,3,4-tetrahydro-quinolin-3-yl)-amide::CHEMBL337012

SMILES: CN1C(=O)[C@H](Cc2ccccc12)NC(=O)c1cc2cc(Cl)ccc2[nH]1

InChI Key: InChIKey=CZLGMTLJVJLVSI-INIZCTEOSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50136428   
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))
BDBM50136428
PNG
(5-Chloro-1H-indole-2-carboxylic acid ((S)-1-methyl...)
Show SMILES CN1C(=O)[C@H](Cc2ccccc12)NC(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C19H16ClN3O2/c1-23-17-5-3-2-4-11(17)9-16(19(23)25)22-18(24)15-10-12-8-13(20)6-7-14(12)21-15/h2-8,10,16,21H,9H2,1H3,(H,22,24)/t16-/m0/s1
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PubMed
n/an/a 57n/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))
BDBM50136428
PNG
(5-Chloro-1H-indole-2-carboxylic acid ((S)-1-methyl...)
Show SMILES CN1C(=O)[C@H](Cc2ccccc12)NC(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C19H16ClN3O2/c1-23-17-5-3-2-4-11(17)9-16(19(23)25)22-18(24)15-10-12-8-13(20)6-7-14(12)21-15/h2-8,10,16,21H,9H2,1H3,(H,22,24)/t16-/m0/s1
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Article
PubMed
n/an/a 57n/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))
BDBM50136428
PNG
(5-Chloro-1H-indole-2-carboxylic acid ((S)-1-methyl...)
Show SMILES CN1C(=O)[C@H](Cc2ccccc12)NC(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C19H16ClN3O2/c1-23-17-5-3-2-4-11(17)9-16(19(23)25)22-18(24)15-10-12-8-13(20)6-7-14(12)21-15/h2-8,10,16,21H,9H2,1H3,(H,22,24)/t16-/m0/s1
PDB
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 57n/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