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BDBM50162303 N-PHENYLBENZAMIDE::N-Phenyl-Benzamide::N-Phenylbenzamide

SMILES: O=C(Nc1ccccc1)c1ccccc1

InChI Key: InChIKey=ZVSKZLHKADLHSD-UHFFFAOYSA-N

Data: 5 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50162303   
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
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM50162303
PNG
(N-PHENYLBENZAMIDE | N-Phenyl-Benzamide | N-Phenylb...)
Show SMILES O=C(Nc1ccccc1)c1ccccc1
Show InChI InChI=1S/C13H11NO/c15-13(11-7-3-1-4-8-11)14-12-9-5-2-6-10-12/h1-10H,(H,14,15)
PDB

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PubMed
n/an/a<6.31E+5n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human BCATm incubated for 10 mins by Amplex red- based fluorescence analysis


J Med Chem 59: 2452-67 (2016)


BindingDB Entry DOI: 10.7270/Q2GQ70NC
More data for this
Ligand-Target Pair
10 kDa chaperonin


(Escherichia coli)
BDBM50162303
PNG
(N-PHENYLBENZAMIDE | N-Phenyl-Benzamide | N-Phenylb...)
Show SMILES O=C(Nc1ccccc1)c1ccccc1
Show InChI InChI=1S/C13H11NO/c15-13(11-7-3-1-4-8-11)14-12-9-5-2-6-10-12/h1-10H,(H,14,15)
PDB

UniProtKB/TrEMBL

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n/an/a>1.00E+5n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli GroEL expressed in Escherichia coli DH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed ...


J Med Chem 61: 10651-10664 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01293
BindingDB Entry DOI: 10.7270/Q2MG7S6W
More data for this
Ligand-Target Pair
10 kDa chaperonin


(Escherichia coli)
BDBM50162303
PNG
(N-PHENYLBENZAMIDE | N-Phenyl-Benzamide | N-Phenylb...)
Show SMILES O=C(Nc1ccccc1)c1ccccc1
Show InChI InChI=1S/C13H11NO/c15-13(11-7-3-1-4-8-11)14-12-9-5-2-6-10-12/h1-10H,(H,14,15)
PDB

UniProtKB/TrEMBL

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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli GroEL expressed in Escherichia coli DH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed ...


J Med Chem 61: 10651-10664 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01293
BindingDB Entry DOI: 10.7270/Q2MG7S6W
More data for this
Ligand-Target Pair
60 kDa heat shock protein, mitochondrial


(Homo sapiens)
BDBM50162303
PNG
(N-PHENYLBENZAMIDE | N-Phenyl-Benzamide | N-Phenylb...)
Show SMILES O=C(Nc1ccccc1)c1ccccc1
Show InChI InChI=1S/C13H11NO/c15-13(11-7-3-1-4-8-11)14-12-9-5-2-6-10-12/h1-10H,(H,14,15)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
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n/an/a>1.00E+5n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal octa-His-tagged HSP60 expressed in Escherichia coli Rosetta(DE3) pLysS/human HSP10 expressed in Escherichia coli Roset...


J Med Chem 61: 10651-10664 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01293
BindingDB Entry DOI: 10.7270/Q2MG7S6W
More data for this
Ligand-Target Pair
Thiosulfate sulfurtransferase


(Homo sapiens)
BDBM50162303
PNG
(N-PHENYLBENZAMIDE | N-Phenyl-Benzamide | N-Phenylb...)
Show SMILES O=C(Nc1ccccc1)c1ccccc1
Show InChI InChI=1S/C13H11NO/c15-13(11-7-3-1-4-8-11)14-12-9-5-2-6-10-12/h1-10H,(H,14,15)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of refolded rhodanese (unknown origin) preincubated with Escherichia coli GroEL/GroES for 60 mins in absence of compound followed by compo...


J Med Chem 61: 10651-10664 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01293
BindingDB Entry DOI: 10.7270/Q2MG7S6W
More data for this
Ligand-Target Pair