BDBM50575 5,6-bis(azanyl)-8-[bis(2-hydroxyethyl)amino]-2-oxidanylidene-3-(thiophen-2-ylmethyl)-1H-pyrrolo[2,3-c][2,7]naphthyridine-9-carbonitrile::5,6-diamino-8-[bis(2-hydroxyethyl)amino]-2-keto-3-(2-thenyl)-1H-pyrrolo[2,3-c][2,7]naphthyridine-9-carbonitrile::5,6-diamino-8-[bis(2-hydroxyethyl)amino]-2-oxo-3-(thiophen-2-ylmethyl)-1H-pyrrolo[2,3-c][2,7]naphthyridine-9-carbonitrile::MLS000770401::SMR000343700::cid_4426072

SMILES Nc1nc2N(Cc3cccs3)C(=O)Cc2c2c(C#N)c(nc(N)c12)N(CCO)CCO

InChI Key InChIKey=XWFGKTKKMRNSRI-UHFFFAOYSA-N

Data  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50575   

LigandChemical structure of BindingDB Monomer ID 50575BDBM50575(MLS000770401 | 5,6-bis(azanyl)-8-[bis(2-hydroxyeth...)
Affinity DataIC50: 2.96E+3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Nikolovska-Coleska, Univer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/30/2011
Entry Details
PCBioAssay
TargetCaspase-9(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 50575BDBM50575(MLS000770401 | 5,6-bis(azanyl)-8-[bis(2-hydroxyeth...)
Affinity DataIC50: 5.98E+3nMAssay 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
TargetApoptotic protease-activating factor 1(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 50575BDBM50575(MLS000770401 | 5,6-bis(azanyl)-8-[bis(2-hydroxyeth...)
Affinity DataIC50: 2.07E+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
LigandChemical structure of BindingDB Monomer ID 50575BDBM50575(MLS000770401 | 5,6-bis(azanyl)-8-[bis(2-hydroxyeth...)
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