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BDBM50156178 CHEMBL216331::c[Hcy3,5]Ang II

SMILES: N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCS)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=XVPLJXVSXHGPGD-MDKUUQCZSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50156178   
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))		BDBM50156178
PNG
(CHEMBL216331 | c[Hcy3,5]Ang II)
Show SMILES N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCS)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/C47H65N13O12S2/c48-30(23-38(62)63)39(64)54-31(8-4-16-52-47(49)50)40(65)55-32(14-18-73)41(66)57-34(20-27-10-12-29(61)13-11-27)43(68)56-33(15-19-74)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/h1-3,6-7,10-13,24-25,30-37,61,73-74H,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
Article
PubMed
 2.10n/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