BDBM67694 MLS002232301::N'-[4-[[5-[3-[[(E)-4-(dimethylamino)-1-oxobut-2-enyl]amino]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]-3-fluorophenyl]-N-(4-fluorophenyl)propanediamide::N'-[4-[[5-[3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]-3-fluoranyl-phenyl]-N-(4-fluorophenyl)propanediamide::N'-[4-[[5-[3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]-3-fluoro-phenyl]-N-(4-fluorophenyl)malonamide::N'-[4-[[5-[3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]-3-fluorophenyl]-N-(4-fluorophenyl)propanediamide::SMR001307855::cid_42601361

SMILES CN(C)C\C=C\C(=O)Nc1cccc(c1)-c1c[nH]c2ncnc(Oc3ccc(NC(=O)CC(=O)Nc4ccc(F)cc4)cc3F)c12

InChI Key InChIKey=ZADDPMRPBSMSJN-UHFFFAOYSA-N

Data  3 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 4 hits for monomerid = 67694   

TargetSerine/threonine-protein kinase 33(Human)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM67694(cid_42601361 | N'-[4-[[5-[3-[[(E)-4-(dimethylamino...)
Affinity DataEC50:  6.32E+3nMAssay Description:Keywords: STK33 Kinase, Non-ATP Competitive Inhibitor Assay Overview: Purified STK33 Kinase is preincubated with potential inhibitors and allowed to ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/12/2011
Entry Details
PCBioAssay
TargetUbiquitin-conjugating enzyme E2 N(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM67694(cid_42601361 | N'-[4-[[5-[3-[[(E)-4-(dimethylamino...)
Affinity DataIC50: 2.28E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/2/2011
Entry Details
PCBioAssay
TargetBcl-2-related protein A1(Mouse)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM67694(cid_42601361 | N'-[4-[[5-[3-[[(E)-4-(dimethylamino...)
Affinity DataIC50: 2.00E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/3/2011
Entry Details
PCBioAssay
TargetUbiquitin-conjugating enzyme E2 N(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM67694(cid_42601361 | N'-[4-[[5-[3-[[(E)-4-(dimethylamino...)
Affinity DataIC50: 3.50E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/2/2011
Entry Details
PCBioAssay