BindingDB logo
myBDB logout

1 similar compounds to monomer 31052

Compile data set for download or QSAR
Wt: 376.2
BDBM38893
Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 38893   
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 ROR-alpha


(Homo sapiens (Human))
BDBM38893
PNG
(1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-3-[...)
Show SMILES CC(NC(=O)Nc1nnc(s1)C(F)(F)F)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C8H5F9N4OS/c1-5(7(12,13)14,8(15,16)17)19-3(22)18-4-21-20-2(23-4)6(9,10)11/h1H3,(H2,18,19,21,22)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.53E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2TH8K3N
More data for this
Ligand-Target Pair
Steroidogenic Factor 1


(Homo sapiens (Human))
BDBM38893
PNG
(1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-3-[...)
Show SMILES CC(NC(=O)Nc1nnc(s1)C(F)(F)F)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C8H5F9N4OS/c1-5(7(12,13)14,8(15,16)17)19-3(22)18-4-21-20-2(23-4)6(9,10)11/h1H3,(H2,18,19,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 5.60E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2PR7TCX
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM38893
PNG
(1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-3-[...)
Show SMILES CC(NC(=O)Nc1nnc(s1)C(F)(F)F)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C8H5F9N4OS/c1-5(7(12,13)14,8(15,16)17)19-3(22)18-4-21-20-2(23-4)6(9,10)11/h1H3,(H2,18,19,21,22)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.98E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q26Q1VNZ
More data for this
Ligand-Target Pair
Steroidogenic Factor 1


(Homo sapiens (Human))
BDBM38893
PNG
(1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-3-[...)
Show SMILES CC(NC(=O)Nc1nnc(s1)C(F)(F)F)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C8H5F9N4OS/c1-5(7(12,13)14,8(15,16)17)19-3(22)18-4-21-20-2(23-4)6(9,10)11/h1H3,(H2,18,19,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 6.25E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2319T8T
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM38893
PNG
(1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-3-[...)
Show SMILES CC(NC(=O)Nc1nnc(s1)C(F)(F)F)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C8H5F9N4OS/c1-5(7(12,13)14,8(15,16)17)19-3(22)18-4-21-20-2(23-4)6(9,10)11/h1H3,(H2,18,19,21,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

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



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM38893
PNG
(1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-3-[...)
Show SMILES CC(NC(=O)Nc1nnc(s1)C(F)(F)F)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C8H5F9N4OS/c1-5(7(12,13)14,8(15,16)17)19-3(22)18-4-21-20-2(23-4)6(9,10)11/h1H3,(H2,18,19,21,22)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>3.50E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2V1235Z
More data for this
Ligand-Target Pair
Factor XIIa


(Homo sapiens (Human))
BDBM38893
PNG
(1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-3-[...)
Show SMILES CC(NC(=O)Nc1nnc(s1)C(F)(F)F)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C8H5F9N4OS/c1-5(7(12,13)14,8(15,16)17)19-3(22)18-4-21-20-2(23-4)6(9,10)11/h1H3,(H2,18,19,21,22)
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21G0JQS
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM38893
PNG
(1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-3-[...)
Show SMILES CC(NC(=O)Nc1nnc(s1)C(F)(F)F)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C8H5F9N4OS/c1-5(7(12,13)14,8(15,16)17)19-3(22)18-4-21-20-2(23-4)6(9,10)11/h1H3,(H2,18,19,21,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.50E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2736PBV
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM38893
PNG
(1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-3-[...)
Show SMILES CC(NC(=O)Nc1nnc(s1)C(F)(F)F)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C8H5F9N4OS/c1-5(7(12,13)14,8(15,16)17)19-3(22)18-4-21-20-2(23-4)6(9,10)11/h1H3,(H2,18,19,21,22)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>3.50E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2ZS2TWK
More data for this
Ligand-Target Pair