BindingDB logo
myBDB logout

BDBM64729 MLS001212967::N-[(2,4-dichlorophenyl)-(8-hydroxy-7-quinolinyl)methyl]pentanamide::N-[(2,4-dichlorophenyl)-(8-hydroxy-7-quinolyl)methyl]valeramide::N-[(2,4-dichlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]pentanamide::N-[(2,4-dichlorophenyl)-(8-oxidanylquinolin-7-yl)methyl]pentanamide::Pentanoic acid [(2,4-dichloro-phenyl)-(8-hydroxy-quinolin-7-yl)-methyl]-amide::SMR000517136::cid_2922048

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

InChI Key: InChIKey=RBZNNYFJAHVKOM-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 = 64729   
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
nuclear receptor coactivator 3 isoform a


(Homo sapiens (Human))
BDBM64729
PNG
(MLS001212967 | N-[(2,4-dichlorophenyl)-(8-hydroxy-...)
Show SMILES CCCCC(=O)NC(c1ccc(Cl)cc1Cl)c1ccc2cccnc2c1O
Show InChI InChI=1S/C21H20Cl2N2O2/c1-2-3-6-18(26)25-20(15-10-8-14(22)12-17(15)23)16-9-7-13-5-4-11-24-19(13)21(16)27/h4-5,7-12,20,27H,2-3,6H2,1H3,(H,25,26)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.71E+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/Q2HT2MXV
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens (Human))
BDBM64729
PNG
(MLS001212967 | N-[(2,4-dichlorophenyl)-(8-hydroxy-...)
Show SMILES CCCCC(=O)NC(c1ccc(Cl)cc1Cl)c1ccc2cccnc2c1O
Show InChI InChI=1S/C21H20Cl2N2O2/c1-2-3-6-18(26)25-20(15-10-8-14(22)12-17(15)23)16-9-7-13-5-4-11-24-19(13)21(16)27/h4-5,7-12,20,27H,2-3,6H2,1H3,(H,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>3.99E+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...)
BDBM64729
PNG
(MLS001212967 | N-[(2,4-dichlorophenyl)-(8-hydroxy-...)
Show SMILES CCCCC(=O)NC(c1ccc(Cl)cc1Cl)c1ccc2cccnc2c1O
Show InChI InChI=1S/C21H20Cl2N2O2/c1-2-3-6-18(26)25-20(15-10-8-14(22)12-17(15)23)16-9-7-13-5-4-11-24-19(13)21(16)27/h4-5,7-12,20,27H,2-3,6H2,1H3,(H,25,26)
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.78E+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