BDBM50551116 CHEMBL4747714

SMILES Cc1ccc(cc1)-c1nc2c(\N=N\c3ccc(cc3)S(N)(=O)=O)c(N)nn2c(N)c1C#N

InChI Key InChIKey=XIEZNUNKXXLJEK-UHFFFAOYSA-N

Data  4 KI  2 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 6 hits for monomerid = 50551116   

TargetCarbonic anhydrase 9(Human)
Egyptian Russian University

Curated by ChEMBL
LigandPNGBDBM50551116(CHEMBL4747714)
Affinity DataKi:  44nMAssay Description:Inhibition of recombinant human carbonic anhydrase 9 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2022
Entry Details Article
PubMed
TargetCarbonic anhydrase 12(Human)
Egyptian Russian University

Curated by ChEMBL
LigandPNGBDBM50551116(CHEMBL4747714)
Affinity DataKi:  49nMAssay Description:Inhibition of recombinant human carbonic anhydrase 12 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2022
Entry Details Article
PubMed
TargetCarbonic anhydrase 2(Human)
Egyptian Russian University

Curated by ChEMBL
LigandPNGBDBM50551116(CHEMBL4747714)
Affinity DataKi:  638nMAssay Description:Inhibition of recombinant human carbonic anhydrase 2 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2022
Entry Details Article
PubMed
TargetCarbonic anhydrase 1(Human)
Egyptian Russian University

Curated by ChEMBL
LigandPNGBDBM50551116(CHEMBL4747714)
Affinity DataKi:  3.53E+3nMAssay Description:Inhibition of recombinant human carbonic anhydrase 1 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2022
Entry Details Article
PubMed
TargetCyclin-dependent kinase 2/G1/S-specific cyclin-E1(Human)
Egyptian Russian University

Curated by ChEMBL
LigandPNGBDBM50551116(CHEMBL4747714)
Affinity DataIC50: 1.16E+4nMAssay Description:Inhibition of CDK2/cyclin E (unknown origin) expressed in baculovirus infected Sf21 insect cells using histone H1 as substrate in presence of [gamma3...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2022
Entry Details Article
PubMed
TargetCyclin-T1/Cyclin-dependent kinase 9(Human)
Egyptian Russian University

Curated by ChEMBL
LigandPNGBDBM50551116(CHEMBL4747714)
Affinity DataIC50: 1.25E+4nMAssay Description:Inhibition of human full-length N-terminal GST/His6-tagged CDK9 (1 to 372 residues)/His6-tagged Cyclin-T1 (1 to 726 residues) expressed in sf9 cells ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2022
Entry Details Article
PubMed