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BDBM50020669 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-carbamoyl-4-guanidino-butyl)-amide::CHEMBL366552

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(N)=O)cc1

InChI Key: InChIKey=YOXLQAUWFXIQGK-SFNZYMASSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50020669   
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)
BDBM50020669
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(N)=O)cc1
Show InChI InChI=1S/C46H69N11O8S2/c1-4-65-31-17-15-30(16-18-31)25-34-41(61)55-35(24-29-12-7-5-8-13-29)42(62)57-38(28(2)3)44(64)54-33(19-22-47)40(60)56-36(43(63)53-32(39(48)59)14-11-23-51-45(49)50)27-66-67-46(26-37(58)52-34)20-9-6-10-21-46/h5,7-8,12-13,15-18,28,32-36,38H,4,6,9-11,14,19-27,47H2,1-3H3,(H2,48,59)(H,52,58)(H,53,63)(H,54,64)(H,55,61)(H,56,60)(H,57,62)(H4,49,50,51)/t32-,33+,34-,35+,36+,38-/m0/s1
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Similars

Article
PubMed
2.5n/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