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BDBM50015662 3-Amino-N-{1-[5-[2-[2-(1-carboxy-2-phenyl-ethylcarbamoyl)-pyrrolidin-1-yl]-1-(3H-imidazol-4-ylmethyl)-2-oxo-ethylcarbamoyl]-8-(4-hydroxy-benzyl)-7,10-dioxo-1,2-dithia-6,9-diaza-cyclotridec-11-ylcarbamoyl]-4-guanidino-butyl}-succinamic acid::Asp-Arg-Hcy-Tyr--Hcy-His-Pro-Phe::CHEMBL411997::c(Hcy 3,5)Angiotensin II

SMILES: N[C@@H](CC(O)=O)C(=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=FULUKRVDSYUNQA-MDKUUQCZSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50015662   
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 AT1B


(RAT)		BDBM50015662
PNG
(3-Amino-N-{1-[5-[2-[2-(1-carboxy-2-phenyl-ethylcar...)
Show SMILES N[C@@H](CC(O)=O)C(=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/C47H63N13O12S2/c48-30(23-38(62)63)39(64)54-31(8-4-16-52-47(49)50)40(65)55-32-14-18-73-74-19-15-33(56-43(68)34(57-41(32)66)20-27-10-12-29(61)13-11-27)42(67)58-35(22-28-24-51-25-53-28)45(70)60-17-5-9-37(60)44(69)59-36(46(71)72)21-26-6-2-1-3-7-26/h1-3,6-7,10-13,24-25,30-37,61H,4-5,8-9,14-23,48H2,(H,51,53)(H,54,64)(H,55,65)(H,56,68)(H,57,66)(H,58,67)(H,59,69)(H,62,63)(H,71,72)(H4,49,50,52)/t30-,31-,32-,33-,34-,35-,36-,37-/m0/s1
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Similars
PubMed
 0.230n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro binding affinity at rat liver Angiotensin II receptor, type 1 was determined based on displacement of [125I]-Ang II

J Med Chem 45: 1767-77 (2002)


BindingDB Entry DOI: 10.7270/Q2QV3N7W
More data for this
Ligand-Target Pair