BDBM50024181 4-(2-{4-[2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)-propionylamino]-3-(1H-imidazol-4-yl)-propionylamino]-3-hydroxy-6-methyl-heptanoylamino}-propionylamino)-3-hydroxy-6-methyl-heptanoic acid methyl ester::CHEMBL3142783

SMILES COC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C

InChI Key InChIKey=QWBOCOHZLMYOIA-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 = 50024181   

TargetRenin(Rat)
TBA

Curated by ChEMBL
LigandPNGBDBM50024181(CHEMBL3142783 | 4-(2-{4-[2-[2-tert-Butoxycarbonyla...)
Affinity DataIC50: 1.30E+3nMAssay Description:Inhibition of rat plasma renin activityMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/14/2012
Entry Details Article
PubMed
TargetRenin(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50024181(CHEMBL3142783 | 4-(2-{4-[2-[2-tert-Butoxycarbonyla...)
Affinity DataIC50: 140nMAssay Description:Inhibition of man plasma renin activityMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/14/2012
Entry Details Article
PubMed
TargetRenin(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50024181(CHEMBL3142783 | 4-(2-{4-[2-[2-tert-Butoxycarbonyla...)
Affinity DataIC50: 110nMAssay Description:Inhibition of monkey plasma renin activityMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/14/2012
Entry Details Article
PubMed
TargetRenin(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50024181(CHEMBL3142783 | 4-(2-{4-[2-[2-tert-Butoxycarbonyla...)
Affinity DataIC50: 141nMAssay Description:Inhibition of human plasma reninMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/22/2013
Entry Details Article
PubMed
TargetRenin(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50024181(CHEMBL3142783 | 4-(2-{4-[2-[2-tert-Butoxycarbonyla...)
Affinity DataIC50: 140nMAssay Description:In vitro inhibitory activity against human plasma reninMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/14/2012
Entry Details Article
PubMed