BDBM50160957 CHEMBL179503::[3-(2-{5-tert-Butyl-3-[(4-methyl-furazan-3-ylmethyl)-amino]-2-oxo-2H-pyrazin-1-yl}-butyrylamino)-4-carboxy-2-oxo-butyl]-methyl-pentyl-ammonium; chloride

SMILES CCCCC[NH+](C)CC(=O)C(CC(O)=O)NC(=O)C(CC)n1cc(nc(NCc2nonc2C)c1=O)C(C)(C)C

InChI Key InChIKey=YNRQFMSSDVQNGQ-UHFFFAOYSA-O

Data  1 KI  8 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 9 hits for monomerid = 50160957   

TargetCaspase-3(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50160957(CHEMBL179503 | [3-(2-{5-tert-Butyl-3-[(4-methyl-fu...)
Affinity DataKi:  0.00140nMAssay Description:Inhibitory concentration against recombinant human caspase-3 in neuronal precursor (NT2) cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCaspase-6(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50160957(CHEMBL179503 | [3-(2-{5-tert-Butyl-3-[(4-methyl-fu...)
Affinity DataIC50:  3.40nMAssay Description:Inhibitory concentration against casp-6 in neuronal precursor (NT2) cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCaspase-1(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50160957(CHEMBL179503 | [3-(2-{5-tert-Butyl-3-[(4-methyl-fu...)
Affinity DataIC50:  0.110nMAssay Description:Inhibitory concentration against recombinant human caspase-1 in neuronal precursor (NT2) cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCaspase-5(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50160957(CHEMBL179503 | [3-(2-{5-tert-Butyl-3-[(4-methyl-fu...)
Affinity DataIC50:  0.810nMAssay Description:Inhibitory concentration against casp-5 in neuronal precursor (NT2) cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCaspase-4(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50160957(CHEMBL179503 | [3-(2-{5-tert-Butyl-3-[(4-methyl-fu...)
Affinity DataIC50:  0.5nMAssay Description:Inhibitory concentration against human caspase-4 in neuronal precursor (NT2) cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCaspase-10(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50160957(CHEMBL179503 | [3-(2-{5-tert-Butyl-3-[(4-methyl-fu...)
Affinity DataIC50:  30nMAssay Description:Inhibitory concentration against casp-10 in neuronal precursor (NT2) cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCaspase-8(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50160957(CHEMBL179503 | [3-(2-{5-tert-Butyl-3-[(4-methyl-fu...)
Affinity DataIC50:  4nMAssay Description:Inhibitory concentration against recombinant human caspase-8 in neuronal precursor (NT2) cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCaspase-2(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50160957(CHEMBL179503 | [3-(2-{5-tert-Butyl-3-[(4-methyl-fu...)
Affinity DataIC50: >10nMAssay Description:Inhibitory concentration against casp-2 in neuronal precursor (NT2) cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCaspase-7(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50160957(CHEMBL179503 | [3-(2-{5-tert-Butyl-3-[(4-methyl-fu...)
Affinity DataIC50:  0.0900nMAssay Description:Inhibitory concentration against recombinant human caspase-7 in neuronal precursor (NT2) cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed