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BDBM34648 (4-chlorodithiazol-5-ylidene)-(4,6-dimethyl-2-pyridyl)amine::4-chloranyl-N-(4,6-dimethylpyridin-2-yl)-1,2,3-dithiazol-5-imine::4-chloro-N-(4,6-dimethyl-2-pyridinyl)-5-dithiazolimine::4-chloro-N-(4,6-dimethylpyridin-2-yl)dithiazol-5-imine::MLS000104333::SMR000054268::cid_757789

SMILES: Cc1cc(C)nc(c1)N=c1ssnc1Cl

InChI Key: InChIKey=AVDSFLMZEWGWOV-UHFFFAOYSA-N

Data: 5 IC50  5 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 10 hits for monomerid = 34648   
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
MPI protein


(Homo sapiens)
BDBM34648
PNG
((4-chlorodithiazol-5-ylidene)-(4,6-dimethyl-2-pyri...)
Show SMILES Cc1cc(C)nc(c1)N=c1ssnc1Cl
Show InChI InChI=1S/C9H8ClN3S2/c1-5-3-6(2)11-7(4-5)12-9-8(10)13-15-14-9/h3-4H,1-2H3
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n/an/a 2.88E+4n/an/an/an/a7.423



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
The purpose of this assay is to identify non-competititve inhibitors of human PMI. This is accomplished by using a G6PD- NADPH-coupled assay. In the ...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2CF9NFM
More data for this
Ligand-Target Pair
nuclear receptor coactivator 1 isoform 1


(Homo sapiens)
BDBM34648
PNG
((4-chlorodithiazol-5-ylidene)-(4,6-dimethyl-2-pyri...)
Show SMILES Cc1cc(C)nc(c1)N=c1ssnc1Cl
Show InChI InChI=1S/C9H8ClN3S2/c1-5-3-6(2)11-7(4-5)12-9-8(10)13-15-14-9/h3-4H,1-2H3
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n/an/an/an/a>7.94E+4n/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 (2008)


BindingDB Entry DOI: 10.7270/Q2FT8JGV
More data for this
Ligand-Target Pair
nuclear receptor coactivator 3 isoform a


(Homo sapiens)
BDBM34648
PNG
((4-chlorodithiazol-5-ylidene)-(4,6-dimethyl-2-pyri...)
Show SMILES Cc1cc(C)nc(c1)N=c1ssnc1Cl
Show InChI InChI=1S/C9H8ClN3S2/c1-5-3-6(2)11-7(4-5)12-9-8(10)13-15-14-9/h3-4H,1-2H3
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n/an/an/an/a>7.94E+4n/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 http://molscreen.florida.scripps.edu/ Center Affiliation: The ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2707ZV7
More data for this
Ligand-Target Pair
NCOA2 protein


(Homo sapiens)
BDBM34648
PNG
((4-chlorodithiazol-5-ylidene)-(4,6-dimethyl-2-pyri...)
Show SMILES Cc1cc(C)nc(c1)N=c1ssnc1Cl
Show InChI InChI=1S/C9H8ClN3S2/c1-5-3-6(2)11-7(4-5)12-9-8(10)13-15-14-9/h3-4H,1-2H3
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n/an/an/an/a>7.94E+4n/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 (2008)


BindingDB Entry DOI: 10.7270/Q2QZ28CS
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (human))
BDBM34648
PNG
((4-chlorodithiazol-5-ylidene)-(4,6-dimethyl-2-pyri...)
Show SMILES Cc1cc(C)nc(c1)N=c1ssnc1Cl
Show InChI InChI=1S/C9H8ClN3S2/c1-5-3-6(2)11-7(4-5)12-9-8(10)13-15-14-9/h3-4H,1-2H3
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n/an/a 2.28E+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 (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25M647F
More data for this
Ligand-Target Pair
putative hexokinase HKDC1


(Homo sapiens)
BDBM34648
PNG
((4-chlorodithiazol-5-ylidene)-(4,6-dimethyl-2-pyri...)
Show SMILES Cc1cc(C)nc(c1)N=c1ssnc1Cl
Show InChI InChI=1S/C9H8ClN3S2/c1-5-3-6(2)11-7(4-5)12-9-8(10)13-15-14-9/h3-4H,1-2H3
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n/an/an/an/a 4.31E+4n/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 (2011)


BindingDB Entry DOI: 10.7270/Q2R78CQV
More data for this
Ligand-Target Pair
Hexokinase type I


(Homo sapiens)
BDBM34648
PNG
((4-chlorodithiazol-5-ylidene)-(4,6-dimethyl-2-pyri...)
Show SMILES Cc1cc(C)nc(c1)N=c1ssnc1Cl
Show InChI InChI=1S/C9H8ClN3S2/c1-5-3-6(2)11-7(4-5)12-9-8(10)13-15-14-9/h3-4H,1-2H3
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n/an/an/an/a 3.99E+4n/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 (2011)


BindingDB Entry DOI: 10.7270/Q2765CSM
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens)
BDBM34648
PNG
((4-chlorodithiazol-5-ylidene)-(4,6-dimethyl-2-pyri...)
Show SMILES Cc1cc(C)nc(c1)N=c1ssnc1Cl
Show InChI InChI=1S/C9H8ClN3S2/c1-5-3-6(2)11-7(4-5)12-9-8(10)13-15-14-9/h3-4H,1-2H3
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n/an/a 2.90E+3n/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 (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2JS9NZB
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens)
BDBM34648
PNG
((4-chlorodithiazol-5-ylidene)-(4,6-dimethyl-2-pyri...)
Show SMILES Cc1cc(C)nc(c1)N=c1ssnc1Cl
Show InChI InChI=1S/C9H8ClN3S2/c1-5-3-6(2)11-7(4-5)12-9-8(10)13-15-14-9/h3-4H,1-2H3
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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 (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2F18X8S
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM34648
PNG
((4-chlorodithiazol-5-ylidene)-(4,6-dimethyl-2-pyri...)
Show SMILES Cc1cc(C)nc(c1)N=c1ssnc1Cl
Show InChI InChI=1S/C9H8ClN3S2/c1-5-3-6(2)11-7(4-5)12-9-8(10)13-15-14-9/h3-4H,1-2H3
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n/an/a 1.06E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute Network...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2PZ578V
More data for this
Ligand-Target Pair