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BDBM61803 MLS000537020::N-(3,4-dichlorophenyl)-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanamide::N-(3,4-dichlorophenyl)-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butyramide::N-(3,4-dichlorophenyl)-4,4,4-tris(fluoranyl)-3-oxidanyl-3-(trifluoromethyl)butanamide::SMR000143657::cid_2167979

SMILES: OC(CC(=O)Nc1ccc(Cl)c(Cl)c1)(C(F)(F)F)C(F)(F)F

InChI Key: InChIKey=OPKJUDPAICUZRP-UHFFFAOYSA-N

Data: 3 IC50  2 EC50

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 5 hits for monomerid = 61803   
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
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)
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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)
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antibodypedia
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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
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)
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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
SKiNhead family member (skn-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
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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
exonuclease V (RecBCD complex), alpha chain


(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