BDBM46589 2-[(1,8-diamino-5-cyano-6-piperidin-1-yl-2,7-naphthyridin-3-yl)sulfanyl]acetic acid::2-[(1,8-diamino-5-cyano-6-piperidino-2,7-naphthyridin-3-yl)thio]acetic acid::2-[[1,8-bis(azanyl)-5-cyano-6-piperidin-1-yl-2,7-naphthyridin-3-yl]sulfanyl]ethanoic acid::2-[[1,8-diamino-5-cyano-6-(1-piperidinyl)-2,7-naphthyridin-3-yl]thio]acetic acid::MLS000773334::SMR000364051::cid_3327739

SMILES Nc1nc(SCC(O)=O)cc2c(C#N)c(nc(N)c12)N1CCCCC1

InChI Key InChIKey=BGYDUWHYSPAIGF-UHFFFAOYSA-N

Data  10 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 46589   

TargetTransitional endoplasmic reticulum ATPase(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM46589(MLS000773334 | cid_3327739 | 2-[[1,8-diamino-5-cya...)
Affinity DataIC50: 5.00E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/28/2011
Entry Details
PCBioAssay
TargetTransitional endoplasmic reticulum ATPase(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM46589(MLS000773334 | cid_3327739 | 2-[[1,8-diamino-5-cya...)
Affinity DataIC50: 5.00E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/28/2011
Entry Details
PCBioAssay
TargetSUMO-conjugating enzyme UBC9(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM46589(MLS000773334 | cid_3327739 | 2-[[1,8-diamino-5-cya...)
Affinity DataIC50: 860nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/5/2011
Entry Details
PCBioAssay
TargetSUMO-activating enzyme subunit 1(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM46589(MLS000773334 | cid_3327739 | 2-[[1,8-diamino-5-cya...)
Affinity DataIC50: 3.92E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/9/2011
Entry Details
PCBioAssay
TargetSerine/threonine-protein phosphatase PP1-alpha catalytic subunit(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM46589(MLS000773334 | cid_3327739 | 2-[[1,8-diamino-5-cya...)
Affinity DataIC50: 4.41E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/10/2011
Entry Details
PCBioAssay
TargetSerine/threonine-protein phosphatase(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM46589(MLS000773334 | cid_3327739 | 2-[[1,8-diamino-5-cya...)
Affinity DataIC50: 7.45E+3nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/10/2011
Entry Details
PCBioAssay
TargetCaspase-3(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM46589(MLS000773334 | cid_3327739 | 2-[[1,8-diamino-5-cya...)
Affinity DataIC50: 3.37E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/1/2011
Entry Details
PCBioAssay
TargetSentrin-specific protease 8(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM46589(MLS000773334 | cid_3327739 | 2-[[1,8-diamino-5-cya...)
Affinity DataIC50: 1.06E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/1/2011
Entry Details
PCBioAssay
TargetSentrin-specific protease 6(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM46589(MLS000773334 | cid_3327739 | 2-[[1,8-diamino-5-cya...)
Affinity DataIC50: 8.26E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/1/2011
Entry Details
PCBioAssay
TargetFructose-bisphosphate aldolase(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM46589(MLS000773334 | cid_3327739 | 2-[[1,8-diamino-5-cya...)
Affinity DataIC50: 8.03E+3nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2013
Entry Details
PCBioAssay