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2 similar compounds to monomer 50030958

Compile data set for download or QSAR
Wt: 242.2
BDBM49830
Purchase
Wt: 271.3
BDBM49735

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 49830,49735   
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 factor NF-kappa-B


(Homo sapiens (Human))
BDBM49735
PNG
(MLS000718028 | N,N-dimethyl-4-(5-thiophen-2-yl-1,3...)
Show SMILES CN(C)c1ccc(cc1)-c1nnc(o1)-c1cccs1
Show InChI InChI=1S/C14H13N3OS/c1-17(2)11-7-5-10(6-8-11)13-15-16-14(18-13)12-4-3-9-19-12/h3-9H,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

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PCBioAssay
n/an/an/an/a 2.24E+3n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27P8WT7
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B


(Homo sapiens (Human))
BDBM49830
PNG
(2-(4-methylphenyl)-5-thiophen-2-yl-1,3,4-oxadiazol...)
Show SMILES Cc1ccc(cc1)-c1nnc(o1)-c1cccs1
Show InChI InChI=1S/C13H10N2OS/c1-9-4-6-10(7-5-9)12-14-15-13(16-12)11-3-2-8-17-11/h2-8H,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents


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PCBioAssay
n/an/an/an/a 2.79E+3n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27P8WT7
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))
BDBM49735
PNG
(MLS000718028 | N,N-dimethyl-4-(5-thiophen-2-yl-1,3...)
Show SMILES CN(C)c1ccc(cc1)-c1nnc(o1)-c1cccs1
Show InChI InChI=1S/C14H13N3OS/c1-17(2)11-7-5-10(6-8-11)13-15-16-14(18-13)12-4-3-9-19-12/h3-9H,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


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PCBioAssay
n/an/a 2.23E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RJ4GZT
More data for this
Ligand-Target Pair
SKiNhead family member (skn-1)


(Caenorhabditis elegans)
BDBM49830
PNG
(2-(4-methylphenyl)-5-thiophen-2-yl-1,3,4-oxadiazol...)
Show SMILES Cc1ccc(cc1)-c1nnc(o1)-c1cccs1
Show InChI InChI=1S/C13H10N2OS/c1-9-4-6-10(7-5-9)12-14-15-13(16-12)11-3-2-8-17-11/h2-8H,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents


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PCBioAssay
n/an/a 7.59E+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
SUMO-1-specific protease


(Homo sapiens (Human))
BDBM49735
PNG
(MLS000718028 | N,N-dimethyl-4-(5-thiophen-2-yl-1,3...)
Show SMILES CN(C)c1ccc(cc1)-c1nnc(o1)-c1cccs1
Show InChI InChI=1S/C14H13N3OS/c1-17(2)11-7-5-10(6-8-11)13-15-16-14(18-13)12-4-3-9-19-12/h3-9H,1-2H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

PCBioAssay
n/an/a>1.00E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q27H1H10
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM49735
PNG
(MLS000718028 | N,N-dimethyl-4-(5-thiophen-2-yl-1,3...)
Show SMILES CN(C)c1ccc(cc1)-c1nnc(o1)-c1cccs1
Show InChI InChI=1S/C14H13N3OS/c1-17(2)11-7-5-10(6-8-11)13-15-16-14(18-13)12-4-3-9-19-12/h3-9H,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
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PC sid
UniChem

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PCBioAssay
n/an/a 3.59E+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 (2011)


BindingDB Entry DOI: 10.7270/Q2S75DTS
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM49735
PNG
(MLS000718028 | N,N-dimethyl-4-(5-thiophen-2-yl-1,3...)
Show SMILES CN(C)c1ccc(cc1)-c1nnc(o1)-c1cccs1
Show InChI InChI=1S/C14H13N3OS/c1-17(2)11-7-5-10(6-8-11)13-15-16-14(18-13)12-4-3-9-19-12/h3-9H,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


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PCBioAssay
n/an/a>4.97E+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 (2011)


BindingDB Entry DOI: 10.7270/Q2WW7G4W
More data for this
Ligand-Target Pair
SUMO/sentrin specific peptidase family member 8


(Homo sapiens (Human))
BDBM49735
PNG
(MLS000718028 | N,N-dimethyl-4-(5-thiophen-2-yl-1,3...)
Show SMILES CN(C)c1ccc(cc1)-c1nnc(o1)-c1cccs1
Show InChI InChI=1S/C14H13N3OS/c1-17(2)11-7-5-10(6-8-11)13-15-16-14(18-13)12-4-3-9-19-12/h3-9H,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

PCBioAssay
n/an/a>1.00E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MS3R7H
More data for this
Ligand-Target Pair