BDBM50084627 (R)-2-(2-Amino-thiazol-4-ylmethyl)-N*4*-cyclohexylmethyl-N*1*-((1S,2R,3S)-1-cyclohexylmethyl-2,3-dihydroxy-5-methyl-hexyl)-N*4*-{[methyl-(2-pyridin-2-yl-ethyl)-carbamoyl]-methyl}-succinamide::2-(2-Amino-thiazol-4-ylmethyl)-N*4*-cyclohexylmethyl-N*1*-(1-cyclohexylmethyl-2,3-dihydroxy-5-methyl-hexyl)-N*4*-{[methyl-(2-pyridin-2-yl-ethyl)-carbamoyl]-methyl}-succinamide(BILA 2157 BS)::CHEMBL416472

SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](CC(=O)N(CC1CCCCC1)CC(=O)N(C)CCc1ccccn1)Cc1csc(N)n1

InChI Key InChIKey=RTFZIRGGIOYLOO-UHFFFAOYSA-N

Data  2 IC50  1 Koff  1 Kon

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50084627   

TargetRenin(Human)
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50084627(2-(2-Amino-thiazol-4-ylmethyl)-N*4*-cyclohexylmeth...)
Affinity DataKon:  0.000280M-1s-1 Koff:  5.93s-1Assay Description:Component acylation rate constant by the compound against Renin was determinedMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCathepsin D(Human)
University of Queensland

Curated by ChEMBL
LigandPNGBDBM50084627(2-(2-Amino-thiazol-4-ylmethyl)-N*4*-cyclohexylmeth...)
Affinity DataIC50: 550nMAssay Description:Inhibitory concentration against cathepsin D..More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2012
Entry Details Article
PubMed
TargetRenin(Human)
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50084627(2-(2-Amino-thiazol-4-ylmethyl)-N*4*-cyclohexylmeth...)
Affinity DataIC50: 1.40nMpH: 6.0Assay Description:Inhibitory concentration against human plasma renin at pH 6.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2012
Entry Details Article
PubMed