BDBM70398 6-amino-4-[3-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-4-methoxyphenyl]-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile::6-amino-4-[3-[(4,5-dihydrothiazol-2-ylthio)methyl]-4-methoxyphenyl]-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile::6-amino-4-[4-methoxy-3-[(2-thiazolin-2-ylthio)methyl]phenyl]-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile::6-amino-4-{3-[(4,5-dihydro-1,3-thiazol-2-ylthio)methyl]-4-methoxyphenyl}-3-propyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile::6-azanyl-4-[3-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-4-methoxy-phenyl]-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile::MLS000097256::SMR000075778::cid_2951445

SMILES CCCc1[nH]nc2OC(=N)C(C#N)C(c12)c1ccc(OC)c(CSC2=NCCS2)c1

InChI Key InChIKey=IQJOJBWASQLVFF-UHFFFAOYSA-N

Data  3 IC50  2 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 70398   

TargetProtein RecA(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM70398(6-amino-4-[3-[(4,5-dihydrothiazol-2-ylthio)methyl]...)
Affinity DataEC50:  4.56E+3nMAssay Description:Keywords: GFP-RecA intein, protein splicing, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, whi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/30/2011
Entry Details
PCBioAssay
TargetCaspase-9(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM70398(6-amino-4-[3-[(4,5-dihydrothiazol-2-ylthio)methyl]...)
Affinity DataIC50: 1.43E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/6/2012
Entry Details
PCBioAssay
TargetProtein RecA(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM70398(6-amino-4-[3-[(4,5-dihydrothiazol-2-ylthio)methyl]...)
Affinity DataEC50:  1.48E+4nMAssay Description:Keywords: GFP, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, which interrupt the DnaB, RecA, a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/30/2011
Entry Details
PCBioAssay
TargetApoptotic protease-activating factor 1(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM70398(6-amino-4-[3-[(4,5-dihydrothiazol-2-ylthio)methyl]...)
Affinity DataIC50: 2.39E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/5/2012
Entry Details
PCBioAssay
TargetApoptotic protease-activating factor 1(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM70398(6-amino-4-[3-[(4,5-dihydrothiazol-2-ylthio)methyl]...)
Affinity DataIC50: 1.00E+5nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/5/2012
Entry Details
PCBioAssay