BDBM50459 MLS000862518::N-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)-6,8-dimethyl-2-(2-pyridinyl)-4-quinolinecarboxamide::N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-6,8-dimethyl-2-pyridin-2-yl-quinoline-4-carboxamide::N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-6,8-dimethyl-2-pyridin-2-ylquinoline-4-carboxamide::N-[4-[(3,4-dimethyl-5-isoxazolyl)sulfamoyl]phenyl]-6,8-dimethyl-2-(2-pyridinyl)-4-quinolinecarboxamide::N-[4-[(3,4-dimethylisoxazol-5-yl)sulfamoyl]phenyl]-6,8-dimethyl-2-(2-pyridyl)cinchoninamide::SMR000300559::cid_1261822

SMILES Cc1noc(NS(=O)(=O)c2ccc(NC(=O)c3cc(nc4c(C)cc(C)cc34)-c3ccccn3)cc2)c1C

InChI Key InChIKey=HTSLEZOTMYUPLU-UHFFFAOYSA-N

Data  9 IC50  1 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 10 hits for monomerid = 50459   

TargetInduced myeloid leukemia cell differentiation protein Mcl-1(Homo sapiens (Human))
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM50459(MLS000862518 | N-(4-{[(3,4-dimethyl-5-isoxazolyl)a...)
Affinity DataIC50:  4.01E+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
TargetG-protein coupled receptor 55(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM50459(MLS000862518 | N-(4-{[(3,4-dimethyl-5-isoxazolyl)a...)
Affinity DataIC50:  500nMAssay 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
TargetCannabinoid receptor 2(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM50459(MLS000862518 | N-(4-{[(3,4-dimethyl-5-isoxazolyl)a...)
Affinity DataEC50: >3.20E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Netw...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetCannabinoid receptor 2(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM50459(MLS000862518 | N-(4-{[(3,4-dimethyl-5-isoxazolyl)a...)
Affinity DataIC50: >3.20E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Netw...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetTyrosine-protein phosphatase non-receptor type 5(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM50459(MLS000862518 | N-(4-{[(3,4-dimethyl-5-isoxazolyl)a...)
Affinity DataIC50:  4.20E+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
TargetG-protein coupled receptor 55(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM50459(MLS000862518 | N-(4-{[(3,4-dimethyl-5-isoxazolyl)a...)
Affinity DataIC50:  263nMAssay 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
TargetTyrosine-protein phosphatase non-receptor type 5(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM50459(MLS000862518 | N-(4-{[(3,4-dimethyl-5-isoxazolyl)a...)
Affinity DataIC50:  2.83E+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
TargetDual specificity protein phosphatase 3(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM50459(MLS000862518 | N-(4-{[(3,4-dimethyl-5-isoxazolyl)a...)
Affinity DataIC50:  2.73E+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
TargetTyrosine-protein phosphatase non-receptor type 11(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM50459(MLS000862518 | N-(4-{[(3,4-dimethyl-5-isoxazolyl)a...)
Affinity DataIC50:  2.95E+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
TargetCannabinoid receptor 1(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM50459(MLS000862518 | N-(4-{[(3,4-dimethyl-5-isoxazolyl)a...)
Affinity DataIC50:  2.46E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego) Network...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay