BindingDB logo
myBDB logout

BDBM47803 MLS000689393::N-(4-chlorophenyl)-2-(3-keto-4,6-dimethyl-isothiazolo[5,4-b]pyridin-2-yl)acetamide::N-(4-chlorophenyl)-2-(4,6-dimethyl-3-oxidanylidene-[1,2]thiazolo[5,4-b]pyridin-2-yl)ethanamide::N-(4-chlorophenyl)-2-(4,6-dimethyl-3-oxo-2-isothiazolo[5,4-b]pyridinyl)acetamide::N-(4-chlorophenyl)-2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)acetamide::N-(4-chlorophenyl)-2-(4,6-dimethyl-3-oxoisothiazolo[5,4-b]pyridin-2(3H)-yl)acetamide::SMR000311192::cid_4247469

SMILES: Cc1cc(C)c2c(n1)sn(CC(=O)Nc1ccc(Cl)cc1)c2=O

InChI Key: InChIKey=IKEJORUOOGOBMU-UHFFFAOYSA-N

Data: 8 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 13 hits for monomerid = 47803   
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
Regulator of G-protein signaling 8


(Homo sapiens (Human))
BDBM47803
PNG
(MLS000689393 | N-(4-chlorophenyl)-2-(3-keto-4,6-di...)
Show SMILES Cc1cc(C)c2c(n1)sn(CC(=O)Nc1ccc(Cl)cc1)c2=O
Show InChI InChI=1S/C16H14ClN3O2S/c1-9-7-10(2)18-15-14(9)16(22)20(23-15)8-13(21)19-12-5-3-11(17)4-6-12/h3-7H,8H2,1-2H3,(H,19,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 6.37E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2TM78JD
More data for this
Ligand-Target Pair
RGS7


(Homo sapiens (Human))
BDBM47803
PNG
(MLS000689393 | N-(4-chlorophenyl)-2-(3-keto-4,6-di...)
Show SMILES Cc1cc(C)c2c(n1)sn(CC(=O)Nc1ccc(Cl)cc1)c2=O
Show InChI InChI=1S/C16H14ClN3O2S/c1-9-7-10(2)18-15-14(9)16(22)20(23-15)8-13(21)19-12-5-3-11(17)4-6-12/h3-7H,8H2,1-2H3,(H,19,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2PV6HS7
More data for this
Ligand-Target Pair
G protein signalling regulator 19


(Homo sapiens (Human))
BDBM47803
PNG
(MLS000689393 | N-(4-chlorophenyl)-2-(3-keto-4,6-di...)
Show SMILES Cc1cc(C)c2c(n1)sn(CC(=O)Nc1ccc(Cl)cc1)c2=O
Show InChI InChI=1S/C16H14ClN3O2S/c1-9-7-10(2)18-15-14(9)16(22)20(23-15)8-13(21)19-12-5-3-11(17)4-6-12/h3-7H,8H2,1-2H3,(H,19,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.54E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2K35S27
More data for this
Ligand-Target Pair
regulator of G-protein signalling 16


(Homo sapiens (Human))
BDBM47803
PNG
(MLS000689393 | N-(4-chlorophenyl)-2-(3-keto-4,6-di...)
Show SMILES Cc1cc(C)c2c(n1)sn(CC(=O)Nc1ccc(Cl)cc1)c2=O
Show InChI InChI=1S/C16H14ClN3O2S/c1-9-7-10(2)18-15-14(9)16(22)20(23-15)8-13(21)19-12-5-3-11(17)4-6-12/h3-7H,8H2,1-2H3,(H,19,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.75E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FB51BW
More data for this
Ligand-Target Pair
regulator of G-protein signaling 4


(Homo sapiens (Human))
BDBM47803
PNG
(MLS000689393 | N-(4-chlorophenyl)-2-(3-keto-4,6-di...)
Show SMILES Cc1cc(C)c2c(n1)sn(CC(=O)Nc1ccc(Cl)cc1)c2=O
Show InChI InChI=1S/C16H14ClN3O2S/c1-9-7-10(2)18-15-14(9)16(22)20(23-15)8-13(21)19-12-5-3-11(17)4-6-12/h3-7H,8H2,1-2H3,(H,19,21)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2F76B0G
More data for this
Ligand-Target Pair
DNA dC->dU-editing enzyme APOBEC-3G


(Homo sapiens (Human))
BDBM47803
PNG
(MLS000689393 | N-(4-chlorophenyl)-2-(3-keto-4,6-di...)
Show SMILES Cc1cc(C)c2c(n1)sn(CC(=O)Nc1ccc(Cl)cc1)c2=O
Show InChI InChI=1S/C16H14ClN3O2S/c1-9-7-10(2)18-15-14(9)16(22)20(23-15)8-13(21)19-12-5-3-11(17)4-6-12/h3-7H,8H2,1-2H3,(H,19,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.35E+3n/an/an/an/an/a25



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/Q2HQ3XD6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM47803
PNG
(MLS000689393 | N-(4-chlorophenyl)-2-(3-keto-4,6-di...)
Show SMILES Cc1cc(C)c2c(n1)sn(CC(=O)Nc1ccc(Cl)cc1)c2=O
Show InChI InChI=1S/C16H14ClN3O2S/c1-9-7-10(2)18-15-14(9)16(22)20(23-15)8-13(21)19-12-5-3-11(17)4-6-12/h3-7H,8H2,1-2H3,(H,19,21)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 9.56E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2T15278
More data for this
Ligand-Target Pair
glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase


(Plasmodium falciparum 3D7)
BDBM47803
PNG
(MLS000689393 | N-(4-chlorophenyl)-2-(3-keto-4,6-di...)
Show SMILES Cc1cc(C)c2c(n1)sn(CC(=O)Nc1ccc(Cl)cc1)c2=O
Show InChI InChI=1S/C16H14ClN3O2S/c1-9-7-10(2)18-15-14(9)16(22)20(23-15)8-13(21)19-12-5-3-11(17)4-6-12/h3-7H,8H2,1-2H3,(H,19,21)
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.51E+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 (SBMRI, San Diego CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2ZS2TZG
More data for this
Ligand-Target Pair
Glucose 6-phosphate dehydrogenase (G6PD)


(Homo sapiens (Human))
BDBM47803
PNG
(MLS000689393 | N-(4-chlorophenyl)-2-(3-keto-4,6-di...)
Show SMILES Cc1cc(C)c2c(n1)sn(CC(=O)Nc1ccc(Cl)cc1)c2=O
Show InChI InChI=1S/C16H14ClN3O2S/c1-9-7-10(2)18-15-14(9)16(22)20(23-15)8-13(21)19-12-5-3-11(17)4-6-12/h3-7H,8H2,1-2H3,(H,19,21)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.07E+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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2V12389
More data for this
Ligand-Target Pair
glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase


(Plasmodium falciparum 3D7)
BDBM47803
PNG
(MLS000689393 | N-(4-chlorophenyl)-2-(3-keto-4,6-di...)
Show SMILES Cc1cc(C)c2c(n1)sn(CC(=O)Nc1ccc(Cl)cc1)c2=O
Show InChI InChI=1S/C16H14ClN3O2S/c1-9-7-10(2)18-15-14(9)16(22)20(23-15)8-13(21)19-12-5-3-11(17)4-6-12/h3-7H,8H2,1-2H3,(H,19,21)
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>8.00E+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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q27H1H3W
More data for this
Ligand-Target Pair
glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase


(Plasmodium falciparum 3D7)
BDBM47803
PNG
(MLS000689393 | N-(4-chlorophenyl)-2-(3-keto-4,6-di...)
Show SMILES Cc1cc(C)c2c(n1)sn(CC(=O)Nc1ccc(Cl)cc1)c2=O
Show InChI InChI=1S/C16H14ClN3O2S/c1-9-7-10(2)18-15-14(9)16(22)20(23-15)8-13(21)19-12-5-3-11(17)4-6-12/h3-7H,8H2,1-2H3,(H,19,21)
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>8.00E+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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q23T9FQ1
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM47803
PNG
(MLS000689393 | N-(4-chlorophenyl)-2-(3-keto-4,6-di...)
Show SMILES Cc1cc(C)c2c(n1)sn(CC(=O)Nc1ccc(Cl)cc1)c2=O
Show InChI InChI=1S/C16H14ClN3O2S/c1-9-7-10(2)18-15-14(9)16(22)20(23-15)8-13(21)19-12-5-3-11(17)4-6-12/h3-7H,8H2,1-2H3,(H,19,21)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.36E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2XS5T0R
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens (Human))
BDBM47803
PNG
(MLS000689393 | N-(4-chlorophenyl)-2-(3-keto-4,6-di...)
Show SMILES Cc1cc(C)c2c(n1)sn(CC(=O)Nc1ccc(Cl)cc1)c2=O
Show InChI InChI=1S/C16H14ClN3O2S/c1-9-7-10(2)18-15-14(9)16(22)20(23-15)8-13(21)19-12-5-3-11(17)4-6-12/h3-7H,8H2,1-2H3,(H,19,21)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>1.00E+5n/an/an/an/an/a25



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/Q2CZ35ND
More data for this
Ligand-Target Pair