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BDBM50136444 5-Chloro-1H-indole-2-carboxylic acid (1-methyl-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-3-yl)-amide::CHEMBL342364

SMILES: CN1c2ccccc2CCC(NC(=O)c2cc3cc(Cl)ccc3[nH]2)C1=O

InChI Key: InChIKey=HRRVJTJSCYCYMB-UHFFFAOYSA-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 = 50136444   
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))
BDBM50136444
PNG
(5-Chloro-1H-indole-2-carboxylic acid (1-methyl-2-o...)
Show SMILES CN1c2ccccc2CCC(NC(=O)c2cc3cc(Cl)ccc3[nH]2)C1=O
Show InChI InChI=1S/C20H18ClN3O2/c1-24-18-5-3-2-4-12(18)6-8-16(20(24)26)23-19(25)17-11-13-10-14(21)7-9-15(13)22-17/h2-5,7,9-11,16,22H,6,8H2,1H3,(H,23,25)
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PC cid
PC sid
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PubMed
n/an/a 105n/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))
BDBM50136444
PNG
(5-Chloro-1H-indole-2-carboxylic acid (1-methyl-2-o...)
Show SMILES CN1c2ccccc2CCC(NC(=O)c2cc3cc(Cl)ccc3[nH]2)C1=O
Show InChI InChI=1S/C20H18ClN3O2/c1-24-18-5-3-2-4-12(18)6-8-16(20(24)26)23-19(25)17-11-13-10-14(21)7-9-15(13)22-17/h2-5,7,9-11,16,22H,6,8H2,1H3,(H,23,25)
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Article
PubMed
n/an/a 305n/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))
BDBM50136444
PNG
(5-Chloro-1H-indole-2-carboxylic acid (1-methyl-2-o...)
Show SMILES CN1c2ccccc2CCC(NC(=O)c2cc3cc(Cl)ccc3[nH]2)C1=O
Show InChI InChI=1S/C20H18ClN3O2/c1-24-18-5-3-2-4-12(18)6-8-16(20(24)26)23-19(25)17-11-13-10-14(21)7-9-15(13)22-17/h2-5,7,9-11,16,22H,6,8H2,1H3,(H,23,25)
PDB
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CHEMBL
PC cid
PC sid
UniChem

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PubMed
n/an/a 305n/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