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BDBM50136430 5-Chloro-1H-indole-2-carboxylic acid ((R)-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-3-yl)-amide::CHEMBL134797

SMILES: Clc1ccc2[nH]c(cc2c1)C(=O)N[C@@H]1CCc2ccccc2NC1=O

InChI Key: InChIKey=VKSJJHHQYWOARV-MRXNPFEDSA-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 = 50136430   
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))
BDBM50136430
PNG
(5-Chloro-1H-indole-2-carboxylic acid ((R)-2-oxo-2,...)
Show SMILES Clc1ccc2[nH]c(cc2c1)C(=O)N[C@@H]1CCc2ccccc2NC1=O
Show InChI InChI=1S/C19H16ClN3O2/c20-13-6-8-15-12(9-13)10-17(21-15)19(25)23-16-7-5-11-3-1-2-4-14(11)22-18(16)24/h1-4,6,8-10,16,21H,5,7H2,(H,22,24)(H,23,25)/t16-/m1/s1
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PC cid
PC sid
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PubMed
n/an/a 83n/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))
BDBM50136430
PNG
(5-Chloro-1H-indole-2-carboxylic acid ((R)-2-oxo-2,...)
Show SMILES Clc1ccc2[nH]c(cc2c1)C(=O)N[C@@H]1CCc2ccccc2NC1=O
Show InChI InChI=1S/C19H16ClN3O2/c20-13-6-8-15-12(9-13)10-17(21-15)19(25)23-16-7-5-11-3-1-2-4-14(11)22-18(16)24/h1-4,6,8-10,16,21H,5,7H2,(H,22,24)(H,23,25)/t16-/m1/s1
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Article
PubMed
n/an/a 99n/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))
BDBM50136430
PNG
(5-Chloro-1H-indole-2-carboxylic acid ((R)-2-oxo-2,...)
Show SMILES Clc1ccc2[nH]c(cc2c1)C(=O)N[C@@H]1CCc2ccccc2NC1=O
Show InChI InChI=1S/C19H16ClN3O2/c20-13-6-8-15-12(9-13)10-17(21-15)19(25)23-16-7-5-11-3-1-2-4-14(11)22-18(16)24/h1-4,6,8-10,16,21H,5,7H2,(H,22,24)(H,23,25)/t16-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 99n/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