BindingDB logo
myBDB logout

BDBM35419 MLS000050867::N-(9-ethyl-3-carbazolyl)-2-[[4-ethyl-5-(2-furanyl)-1,2,4-triazol-3-yl]thio]acetamide::N-(9-ethyl-9H-carbazol-3-yl)-2-{[4-ethyl-5-(2-furyl)-4H-1,2,4-triazol-3-yl]thio}acetamide::N-(9-ethylcarbazol-3-yl)-2-[[4-ethyl-5-(2-furyl)-1,2,4-triazol-3-yl]thio]acetamide::N-(9-ethylcarbazol-3-yl)-2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide::N-(9-ethylcarbazol-3-yl)-2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide::SMR000078562::cid_1890961

SMILES: CCn1c(SCC(=O)Nc2ccc3n(CC)c4ccccc4c3c2)nnc1-c1ccco1

InChI Key: InChIKey=OKUUCTJPQJBHRR-UHFFFAOYSA-N

Data: 11 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 11 hits for monomerid = 35419   
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
Dual Specificity Protein Phosphatase 1


(Homo sapiens (Human))
BDBM35419
PNG
(MLS000050867 | N-(9-ethyl-3-carbazolyl)-2-[[4-ethy...)
Show SMILES CCn1c(SCC(=O)Nc2ccc3n(CC)c4ccccc4c3c2)nnc1-c1ccco1
Show InChI InChI=1S/C24H23N5O2S/c1-3-28-19-9-6-5-8-17(19)18-14-16(11-12-20(18)28)25-22(30)15-32-24-27-26-23(29(24)4-2)21-10-7-13-31-21/h5-14H,3-4,15H2,1-2H3,(H,25,30)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.14E+4n/an/an/an/a7.022



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens (Human))
BDBM35419
PNG
(MLS000050867 | N-(9-ethyl-3-carbazolyl)-2-[[4-ethy...)
Show SMILES CCn1c(SCC(=O)Nc2ccc3n(CC)c4ccccc4c3c2)nnc1-c1ccco1
Show InChI InChI=1S/C24H23N5O2S/c1-3-28-19-9-6-5-8-17(19)18-14-16(11-12-20(18)28)25-22(30)15-32-24-27-26-23(29(24)4-2)21-10-7-13-31-21/h5-14H,3-4,15H2,1-2H3,(H,25,30)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 2.11E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 dose response Active/Probe assessment-DTT assay has been developed to evaluate the effects of increased DTT concentration on the MKP-1 inhi...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q20863PV
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens (Human))
BDBM35419
PNG
(MLS000050867 | N-(9-ethyl-3-carbazolyl)-2-[[4-ethy...)
Show SMILES CCn1c(SCC(=O)Nc2ccc3n(CC)c4ccccc4c3c2)nnc1-c1ccco1
Show InChI InChI=1S/C24H23N5O2S/c1-3-28-19-9-6-5-8-17(19)18-14-16(11-12-20(18)28)25-22(30)15-32-24-27-26-23(29(24)4-2)21-10-7-13-31-21/h5-14H,3-4,15H2,1-2H3,(H,25,30)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 2.11E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 dose response Active/Probe assessment-Catalase assay has been developed to evaluate the effects of adding 100 U/mL of Catalase on the MKP-1...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2VH5M71
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens (Human))
BDBM35419
PNG
(MLS000050867 | N-(9-ethyl-3-carbazolyl)-2-[[4-ethy...)
Show SMILES CCn1c(SCC(=O)Nc2ccc3n(CC)c4ccccc4c3c2)nnc1-c1ccco1
Show InChI InChI=1S/C24H23N5O2S/c1-3-28-19-9-6-5-8-17(19)18-14-16(11-12-20(18)28)25-22(30)15-32-24-27-26-23(29(24)4-2)21-10-7-13-31-21/h5-14H,3-4,15H2,1-2H3,(H,25,30)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 2.03E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 dose response assay Active/Probe Assessment Assay - Reproducibility testing has been developed to test the reproducibility of MKP-1 inhibit...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2QR4VH9
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM35419
PNG
(MLS000050867 | N-(9-ethyl-3-carbazolyl)-2-[[4-ethy...)
Show SMILES CCn1c(SCC(=O)Nc2ccc3n(CC)c4ccccc4c3c2)nnc1-c1ccco1
Show InChI InChI=1S/C24H23N5O2S/c1-3-28-19-9-6-5-8-17(19)18-14-16(11-12-20(18)28)25-22(30)15-32-24-27-26-23(29(24)4-2)21-10-7-13-31-21/h5-14H,3-4,15H2,1-2H3,(H,25,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The in vitro MKP-3 Phosphatase dose response hit/probe assessment assay has been developed and run at the University of Pittsburgh Molecular Screenin...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H70D6B
More data for this
Ligand-Target Pair
core protein


(Hepatitis C virus)
BDBM35419
PNG
(MLS000050867 | N-(9-ethyl-3-carbazolyl)-2-[[4-ethy...)
Show SMILES CCn1c(SCC(=O)Nc2ccc3n(CC)c4ccccc4c3c2)nnc1-c1ccco1
Show InChI InChI=1S/C24H23N5O2S/c1-3-28-19-9-6-5-8-17(19)18-14-16(11-12-20(18)28)25-22(30)15-32-24-27-26-23(29(24)4-2)21-10-7-13-31-21/h5-14H,3-4,15H2,1-2H3,(H,25,30)
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>4.98E+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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q29Z939R
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM35419
PNG
(MLS000050867 | N-(9-ethyl-3-carbazolyl)-2-[[4-ethy...)
Show SMILES CCn1c(SCC(=O)Nc2ccc3n(CC)c4ccccc4c3c2)nnc1-c1ccco1
Show InChI InChI=1S/C24H23N5O2S/c1-3-28-19-9-6-5-8-17(19)18-14-16(11-12-20(18)28)25-22(30)15-32-24-27-26-23(29(24)4-2)21-10-7-13-31-21/h5-14H,3-4,15H2,1-2H3,(H,25,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-3 dose response Active/Probe assessment-Catalase assay has been developed to evaluate the effects of adding 100 U/mL of Catalase on the MKP-3...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2M043S8
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM35419
PNG
(MLS000050867 | N-(9-ethyl-3-carbazolyl)-2-[[4-ethy...)
Show SMILES CCn1c(SCC(=O)Nc2ccc3n(CC)c4ccccc4c3c2)nnc1-c1ccco1
Show InChI InChI=1S/C24H23N5O2S/c1-3-28-19-9-6-5-8-17(19)18-14-16(11-12-20(18)28)25-22(30)15-32-24-27-26-23(29(24)4-2)21-10-7-13-31-21/h5-14H,3-4,15H2,1-2H3,(H,25,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-3 dose response assay Active/Probe Assessment Assay - Reproducibility testing has been developed to test the reproducibility of MKP-3 inhibit...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2G73C2Z
More data for this
Ligand-Target Pair
Genome polyprotein


(West Nile virus)
BDBM35419
PNG
(MLS000050867 | N-(9-ethyl-3-carbazolyl)-2-[[4-ethy...)
Show SMILES CCn1c(SCC(=O)Nc2ccc3n(CC)c4ccccc4c3c2)nnc1-c1ccco1
Show InChI InChI=1S/C24H23N5O2S/c1-3-28-19-9-6-5-8-17(19)18-14-16(11-12-20(18)28)25-22(30)15-32-24-27-26-23(29(24)4-2)21-10-7-13-31-21/h5-14H,3-4,15H2,1-2H3,(H,25,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 4.77E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The HTS assay to identify Inhibitors of West Nile Virus (WNV) NS2bNS3 Proteinase was proposed by Dr Alex Strongin of the Burnham Institute XO1-MH0776...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2222S6W
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25B


(Homo sapiens (Human))
BDBM35419
PNG
(MLS000050867 | N-(9-ethyl-3-carbazolyl)-2-[[4-ethy...)
Show SMILES CCn1c(SCC(=O)Nc2ccc3n(CC)c4ccccc4c3c2)nnc1-c1ccco1
Show InChI InChI=1S/C24H23N5O2S/c1-3-28-19-9-6-5-8-17(19)18-14-16(11-12-20(18)28)25-22(30)15-32-24-27-26-23(29(24)4-2)21-10-7-13-31-21/h5-14H,3-4,15H2,1-2H3,(H,25,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 4.61E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 Dual Specificity Protein Tyrosine Phosphatase Probe Assessment Cdc25B Dose Response Selectivity Assay has been developed to evaluate the PT...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2125R2H
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM35419
PNG
(MLS000050867 | N-(9-ethyl-3-carbazolyl)-2-[[4-ethy...)
Show SMILES CCn1c(SCC(=O)Nc2ccc3n(CC)c4ccccc4c3c2)nnc1-c1ccco1
Show InChI InChI=1S/C24H23N5O2S/c1-3-28-19-9-6-5-8-17(19)18-14-16(11-12-20(18)28)25-22(30)15-32-24-27-26-23(29(24)4-2)21-10-7-13-31-21/h5-14H,3-4,15H2,1-2H3,(H,25,30)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2QJ7FQ3
More data for this
Ligand-Target Pair