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BDBM50156177 (2R,5R,7aR)-6-[2-((S)-Acetylamino)-3-methyl-butyrylamino]-6-benzyl-5-oxo-hexahydro-pyrrolo[2,1-b]thiazole-3-carboxylic acid [(S)-2-(1H-imidazol-4-yl)-1-methylcarbamoyl-ethyl]-amide::CHEMBL190286

SMILES: CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CS[C@@H]2C[C@@](Cc3ccc(O)cc3)(NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)N12

InChI Key: InChIKey=NEVPJUIOLYRWJO-VYOKSUKLSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50156177   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50156177
PNG
((2R,5R,7aR)-6-[2-((S)-Acetylamino)-3-methyl-butyry...)
Show SMILES CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CS[C@@H]2C[C@@](Cc3ccc(O)cc3)(NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)N12
Show InChI InChI=1S/C28H37N7O6S/c1-15(2)23(32-16(3)36)26(40)34-28(10-17-5-7-19(37)8-6-17)11-22-35(27(28)41)21(13-42-22)25(39)33-20(24(38)29-4)9-18-12-30-14-31-18/h5-8,12,14-15,20-23,37H,9-11,13H2,1-4H3,(H,29,38)(H,30,31)(H,32,36)(H,33,39)(H,34,40)/t20-,21-,22+,23-,28+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.70n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]-Ang II from pig uterus myometrium angiotensin II type 2 (AT2) receptor


J Med Chem 47: 6009-19 (2004)


Article DOI: 10.1021/jm049651m
BindingDB Entry DOI: 10.7270/Q2668DZ3
More data for this
Ligand-Target Pair