BDBM258866 US9499492, 18

SMILES CS(=O)(Cc1cc(Br)cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)c1)=NC#N

InChI Key InChIKey=OBGYQQHPNRVDPR-UHFFFAOYSA-N

Data  5 IC50

  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 5 hits for monomerid = 258866   

TargetCarbonic anhydrase 1(Homo sapiens (Human))
Bayer Pharma Aktiengesellschaft

US Patent
LigandPNGBDBM258866(US9499492, 18)
Affinity DataIC50: >1.00E+4nMpH: 7.4 T: 2°CAssay Description:The principle of the assay is based on the hydrolysis of 4-nitrophenyl acetate by carbonic anhydrases (Pocker & Stone, Biochemistry, 1967, 6, 668), w...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Bayer Pharma Aktiengesellschaft

US Patent
LigandPNGBDBM258866(US9499492, 18)
Affinity DataIC50: >1.00E+4nMpH: 7.4 T: 2°CAssay Description:The principle of the assay is based on the hydrolysis of 4-nitrophenyl acetate by carbonic anhydrases (Pocker & Stone, Biochemistry, 1967, 6, 668), w...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetCyclin-T1/Cyclin-dependent kinase 9(Homo sapiens (Human))
Bayer Pharma Aktiengesellschaft

US Patent
LigandPNGBDBM258866(US9499492, 18)
Affinity DataIC50:  175nMpH: 8.0 T: 2°CAssay Description:Method 1b: Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were pu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetCyclin-dependent kinase 2/G1/S-specific cyclin-E1/Glutathione S-transferase P(Homo sapiens (Human))
Bayer Pharma Aktiengesellschaft

US Patent
LigandPNGBDBM258866(US9499492, 18)
Affinity DataIC50:  470nMpH: 8.0 T: 2°CAssay Description:Method 2: Recombinant fusion proteins of GST and human CDK2 and of GST and human CycE, expressed in insect cells (Sf9) and purified by Glutathion-Sep...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetCyclin-T1/Cyclin-dependent kinase 9(Homo sapiens (Human))
Bayer Pharma Aktiengesellschaft

US Patent
LigandPNGBDBM258866(US9499492, 18)
Affinity DataIC50:  11nMpH: 8.0 T: 2°CAssay Description:Method 1a: Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were pu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent