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BDBM50020665 13-(2-Amino-ethyl)-19-benzyl-22-(4-ethoxy-benzyl)-16-isopropyl-12,15,18,21,24-pentaoxo-7,8-dithia-11,14,17,20,23-pentaaza-spiro[5.19]pentacosane-10-carboxylic acid [1-(carbamoylmethyl-carbamoyl)-4-guanidino-butyl]-amide::CHEMBL409054

SMILES: CCOc1ccc(C[C@@H]2NC(=O)CC3(CCCCC3)SSC[C@@H](NC(=O)[C@@H](CCN)NC(=O)[C@@H](NC(=O)[C@@H](Cc3ccccc3)NC2=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O)cc1

InChI Key: InChIKey=WIHVTVOKKNAFRR-XPQKNLRZSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50020665   
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
Vasopressin V2 receptor


(Sus scrofa)
BDBM50020665
PNG
(13-(2-Amino-ethyl)-19-benzyl-22-(4-ethoxy-benzyl)-...)
Show SMILES CCOc1ccc(C[C@@H]2NC(=O)CC3(CCCCC3)SSC[C@@H](NC(=O)[C@@H](CCN)NC(=O)[C@@H](NC(=O)[C@@H](Cc3ccccc3)NC2=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O)cc1
Show InChI InChI=1S/C48H72N12O9S2/c1-4-69-32-17-15-31(16-18-32)25-35-43(65)58-36(24-30-12-7-5-8-13-30)44(66)60-40(29(2)3)46(68)57-34(19-22-49)42(64)59-37(28-70-71-48(26-39(62)55-35)20-9-6-10-21-48)45(67)56-33(14-11-23-53-47(51)52)41(63)54-27-38(50)61/h5,7-8,12-13,15-18,29,33-37,40H,4,6,9-11,14,19-28,49H2,1-3H3,(H2,50,61)(H,54,63)(H,55,62)(H,56,67)(H,57,68)(H,58,65)(H,59,64)(H,60,66)(H4,51,52,53)/t33-,34+,35-,36+,37+,40-/m0/s1
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Similars

Article
PubMed
2.70n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of LVP stimulated adenylate cyclase activity in pig kidney medullary membrane


J Med Chem 29: 984-8 (1986)


Article DOI: 10.1021/jm00156a015
BindingDB Entry DOI: 10.7270/Q27M06W4
More data for this
Ligand-Target Pair