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BDBM50016749 20-Benzyl-14-carbamoylmethyl-23-(4-ethoxy-benzyl)-17-isopropyl-13,16,19,22,25-pentaoxo-7,9-dithia-12,15,18,21,24-pentaaza-spiro[5.20]hexacosane-11-carboxylic acid (4-amino-butyl)-amide::CHEMBL339073

SMILES: CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SCSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](Cc3ccccc3)NC2=O)C(C)C)C(=O)NCCCCN)cc1

InChI Key: InChIKey=LWTPRZLMWCNEJJ-DMRKQDHBSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50016749   
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)		BDBM50016749
PNG
(20-Benzyl-14-carbamoylmethyl-23-(4-ethoxy-benzyl)-...)
Show SMILES CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SCSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](Cc3ccccc3)NC2=O)C(C)C)C(=O)NCCCCN)cc1
Show InChI InChI=1S/C45H66N8O8S2/c1-4-61-32-17-15-31(16-18-32)24-33-41(57)50-34(23-30-13-7-5-8-14-30)43(59)53-39(29(2)3)44(60)51-35(25-37(47)54)42(58)52-36(40(56)48-22-12-11-21-46)27-62-28-63-45(26-38(55)49-33)19-9-6-10-20-45/h5,7-8,13-18,29,33-36,39H,4,6,9-12,19-28,46H2,1-3H3,(H2,47,54)(H,48,56)(H,49,55)(H,50,57)(H,51,60)(H,52,58)(H,53,59)/t33-,34-,35-,36-,39+/m1/s1
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Similars
PubMed
 27n/an/an/an/an/an/an/an/a



Smith Kline & French Laboratories

Curated by ChEMBL


Assay Description
Inhibition constant for vasopressin-stimulated adenylate cyclase of medullary membranes of pig kidney (Vasopressin V2 receptor)

J Med Chem 32: 391-6 (1989)


BindingDB Entry DOI: 10.7270/Q2GM8688
More data for this
Ligand-Target Pair