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BDBM77578 MLS001211345::N-[(2,4-Dichloro-phenyl)-(8-hydroxy-quinolin-7-yl)-methyl]-butyramide::N-[(2,4-dichlorophenyl)-(8-hydroxy-7-quinolinyl)methyl]butanamide::N-[(2,4-dichlorophenyl)-(8-hydroxy-7-quinolyl)methyl]butyramide::N-[(2,4-dichlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]butanamide::N-[(2,4-dichlorophenyl)-(8-oxidanylquinolin-7-yl)methyl]butanamide::SMR000517131::cid_2921215

SMILES: CCCC(=O)NC(c1ccc(Cl)cc1Cl)c1ccc2cccnc2c1O

InChI Key: InChIKey=VUZPLTKIMHSUFJ-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 77578   
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
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM77578
PNG
(MLS001211345 | N-[(2,4-Dichloro-phenyl)-(8-hydroxy...)
Show SMILES CCCC(=O)NC(c1ccc(Cl)cc1Cl)c1ccc2cccnc2c1O
Show InChI InChI=1S/C20H18Cl2N2O2/c1-2-4-17(25)24-19(14-9-7-13(21)11-16(14)22)15-8-6-12-5-3-10-23-18(12)20(15)26/h3,5-11,19,26H,2,4H2,1H3,(H,24,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a>1.19E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TB15CW
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens (Human))
BDBM77578
PNG
(MLS001211345 | N-[(2,4-Dichloro-phenyl)-(8-hydroxy...)
Show SMILES CCCC(=O)NC(c1ccc(Cl)cc1Cl)c1ccc2cccnc2c1O
Show InChI InChI=1S/C20H18Cl2N2O2/c1-2-4-17(25)24-19(14-9-7-13(21)11-16(14)22)15-8-6-12-5-3-10-23-18(12)20(15)26/h3,5-11,19,26H,2,4H2,1H3,(H,24,25)
PDB
MMDB

Reactome pathway
KEGG

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PCBioAssay
n/an/a 6.03E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q28914F2
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM77578
PNG
(MLS001211345 | N-[(2,4-Dichloro-phenyl)-(8-hydroxy...)
Show SMILES CCCC(=O)NC(c1ccc(Cl)cc1Cl)c1ccc2cccnc2c1O
Show InChI InChI=1S/C20H18Cl2N2O2/c1-2-4-17(25)24-19(14-9-7-13(21)11-16(14)22)15-8-6-12-5-3-10-23-18(12)20(15)26/h3,5-11,19,26H,2,4H2,1H3,(H,24,25)
MMDB

KEGG

UniProtKB/SwissProt

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PCBioAssay
n/an/a 4.42E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2D21W6V
More data for this
Ligand-Target Pair
nuclear receptor coactivator 3 isoform a


(Homo sapiens (Human))
BDBM77578
PNG
(MLS001211345 | N-[(2,4-Dichloro-phenyl)-(8-hydroxy...)
Show SMILES CCCC(=O)NC(c1ccc(Cl)cc1Cl)c1ccc2cccnc2c1O
Show InChI InChI=1S/C20H18Cl2N2O2/c1-2-4-17(25)24-19(14-9-7-13(21)11-16(14)22)15-8-6-12-5-3-10-23-18(12)20(15)26/h3,5-11,19,26H,2,4H2,1H3,(H,24,25)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
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PC cid
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UniChem

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PCBioAssay
n/an/a 1.01E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2HT2MXV
More data for this
Ligand-Target Pair