BDBM50012322 CHEMBL264524::N-(2-Hydroxy-1,1-bis-hydroxymethyl-ethyl)-formamide 2-(1-{3-hydroxy-4-[2-(1H-5-imidazolyl)-1-methyl(2-phenyl-1-tetrahydro-1H-2-pyrrolylcarboxamidoethyl)carboxamidoethylcarboxamido]-1-isopropyl-6-methylheptylcarboxamido}-2-methylbutylcarboxamidomethyl)-1-pyridiniumolate::Pyrrolidine-1,2-dicarboxylic acid 1-ethylamide 2-[(1-{[1-(2-hydroxy-1-isobutyl-5-methyl-4-{2-methyl-1-[(N-oxy-pyridin-2-ylmethyl)-carbamoyl]-butylcarbamoyl}-hexylcarbamoyl)-2-(1H-imidazol-4-yl)-ethyl]-methyl-carbamoyl}-2-phenyl-(2-(-2-hydroxymethyl-propane-1,3-diol))-amide](U-77,436)

SMILES CCC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)NC(CO)(CO)CO)C(C)C)C(=O)NCc1cccc[n+]1[O-]

InChI Key InChIKey=MLWGQBSRGOGMDI-FPOVYNMLSA-N

Data  1 KI  1 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 2 hits for monomerid = 50012322   

TargetRenin(Homo sapiens (Human))
Upjohn Laboratories

Curated by ChEMBL
LigandPNGBDBM50012322(CHEMBL264524 | N-(2-Hydroxy-1,1-bis-hydroxymethyl-...)
Affinity DataKi:  0.0510nMAssay Description:In vitro inhibition of human renin by radio-immuno assay of angiotensin I (ANG I)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetRenin(Homo sapiens (Human))
Upjohn Laboratories

Curated by ChEMBL
LigandPNGBDBM50012322(CHEMBL264524 | N-(2-Hydroxy-1,1-bis-hydroxymethyl-...)
Affinity DataIC50:  0.580nMAssay Description:In vitro inhibition of human renin by radio-immuno assay of angiotensin I (ANG I)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed