BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 370.0
BDBM61803
Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 5 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Protein skinhead-1


(Caenorhabditis elegans)
BDBM61803
PNG
(MLS000537020 | N-(3,4-dichlorophenyl)-4,4,4-triflu...)
Show SMILES OC(CC(=O)Nc1ccc(Cl)c(Cl)c1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C11H7Cl2F6NO2/c12-6-2-1-5(3-7(6)13)20-8(21)4-9(22,10(14,15)16)11(17,18)19/h1-3,22H,4H2,(H,20,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 2.79E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2DV1HH8
More data for this
Ligand-Target Pair
RecBCD enzyme subunit RecD


(Escherichia coli str. K-12 substr. MG1655)
BDBM61803
PNG
(MLS000537020 | N-(3,4-dichlorophenyl)-4,4,4-triflu...)
Show SMILES OC(CC(=O)Nc1ccc(Cl)c(Cl)c1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C11H7Cl2F6NO2/c12-6-2-1-5(3-7(6)13)20-8(21)4-9(22,10(14,15)16)11(17,18)19/h1-3,22H,4H2,(H,20,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 4.40E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2TB15CW
More data for this
Ligand-Target Pair
Heat shock protein hsp-16.2


(Caenorhabditis elegans)
BDBM61803
PNG
(MLS000537020 | N-(3,4-dichlorophenyl)-4,4,4-triflu...)
Show SMILES OC(CC(=O)Nc1ccc(Cl)c(Cl)c1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C11H7Cl2F6NO2/c12-6-2-1-5(3-7(6)13)20-8(21)4-9(22,10(14,15)16)11(17,18)19/h1-3,22H,4H2,(H,20,21)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>6.40E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q21J98BN
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM61803
PNG
(MLS000537020 | N-(3,4-dichlorophenyl)-4,4,4-triflu...)
Show SMILES OC(CC(=O)Nc1ccc(Cl)c(Cl)c1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C11H7Cl2F6NO2/c12-6-2-1-5(3-7(6)13)20-8(21)4-9(22,10(14,15)16)11(17,18)19/h1-3,22H,4H2,(H,20,21)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 2.17E+4n/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) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2251GM6
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM61803
PNG
(MLS000537020 | N-(3,4-dichlorophenyl)-4,4,4-triflu...)
Show SMILES OC(CC(=O)Nc1ccc(Cl)c(Cl)c1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C11H7Cl2F6NO2/c12-6-2-1-5(3-7(6)13)20-8(21)4-9(22,10(14,15)16)11(17,18)19/h1-3,22H,4H2,(H,20,21)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 1.65E+4n/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) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XVD
More data for this
Ligand-Target Pair