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BDBM50048118 2-({1-[2-{[11-[5-Guanidino-2-(2-methylamino-acetylamino)-pentanoylamino]-8-(4-hydroxy-benzyl)-7,10-dioxo-1,2-dithia-6,9-diaza-cyclotridecane-5-carbonyl]-amino}-3-(3H-imidazol-4-yl)-propionyl]-pyrrolidine-2-carbonyl}-amino)-3-phenyl-propionic acid::CHEMBL264450

SMILES: CNCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]1CCSSCC[C@@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O

InChI Key: InChIKey=VUJKZLLQFJUYIG-VZQVFHNMSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50048118   
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


(HUMAN)
BDBM50048118
PNG
(2-({1-[2-{[11-[5-Guanidino-2-(2-methylamino-acetyl...)
Show SMILES CNCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]1CCSSCC[C@@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C46H63N13O10S2/c1-49-25-38(61)53-31(9-5-17-51-46(47)48)39(62)54-32-15-19-70-71-20-16-33(55-42(65)34(56-40(32)63)21-28-11-13-30(60)14-12-28)41(64)57-35(23-29-24-50-26-52-29)44(67)59-18-6-10-37(59)43(66)58-36(45(68)69)22-27-7-3-2-4-8-27/h2-4,7-8,11-14,24,26,31-37,49,60H,5-6,9-10,15-23,25H2,1H3,(H,50,52)(H,53,61)(H,54,62)(H,55,65)(H,56,63)(H,57,64)(H,58,66)(H,68,69)(H4,47,48,51)/t31-,32+,33+,34+,35-,36-,37+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 80n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
In vitro binding affinity at angiotensin II (type 2) receptor in rabbit uterus.


J Med Chem 36: 1902-13 (1993)


Article DOI: 10.1021/jm00065a013
BindingDB Entry DOI: 10.7270/Q2N58KF4
More data for this
Ligand-Target Pair