BDBM50613 1-[(2-keto-5-nitro-indol-3-yl)amino]-3-(3-pyridyl)thiourea::1-[(5-nitro-2-oxidanylidene-indol-3-yl)amino]-3-pyridin-3-yl-thiourea::1-[(5-nitro-2-oxo-3-indolyl)amino]-3-(3-pyridinyl)thiourea::1-[(5-nitro-2-oxoindol-3-yl)amino]-3-pyridin-3-ylthiourea::MLS000773949::SMR000364781::cid_6005577

SMILES [O-][N+](=O)c1ccc2[N-]C(=O)C(=[NH+]NC(=S)Nc3cccnc3)c2c1

InChI Key InChIKey=LKKQWNHRMCKREL-UHFFFAOYSA-N

Data  4 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50613   

TargetGlycoprotein 42(Human herpesvirus 4 type 2)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM50613(1-[(2-keto-5-nitro-indol-3-yl)amino]-3-(3-pyridyl)...)
Affinity DataIC50:  1.41E+4nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Theodore Jardetzky; Northw...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetSUMO-activating enzyme subunit 1(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM50613(1-[(2-keto-5-nitro-indol-3-yl)amino]-3-(3-pyridyl)...)
Affinity DataIC50:  2.91E+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 DepthDetails PCBioAssay
TargetSUMO-conjugating enzyme UBC9(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM50613(1-[(2-keto-5-nitro-indol-3-yl)amino]-3-(3-pyridyl)...)
Affinity DataIC50:  1.21E+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 DepthDetails PCBioAssay
TargetInduced myeloid leukemia cell differentiation protein Mcl-1(Homo sapiens (Human))
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM50613(1-[(2-keto-5-nitro-indol-3-yl)amino]-3-(3-pyridyl)...)
Affinity DataIC50:  6.26E+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 DepthDetails PCBioAssay