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BDBM50016762 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 [5-(1-amino-2-imino-ethylamino)-pentyl]-amide::CHEMBL338798

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)NCCCCCN=C(N)CN)cc1

InChI Key: InChIKey=INBWWHKGLOEOOU-LBEKMLKGSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50016762   
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)		BDBM50016762
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)NCCCCCN=C(N)CN)cc1 |w:61.63|
Show InChI InChI=1S/C48H72N10O8S2/c1-4-66-34-18-16-33(17-19-34)25-35-44(62)55-36(24-32-14-8-5-9-15-32)46(64)58-42(31(2)3)47(65)56-37(26-40(51)59)45(63)57-38(43(61)53-23-13-7-12-22-52-39(50)28-49)29-67-30-68-48(27-41(60)54-35)20-10-6-11-21-48/h5,8-9,14-19,31,35-38,42H,4,6-7,10-13,20-30,49H2,1-3H3,(H2,50,52)(H2,51,59)(H,53,61)(H,54,60)(H,55,62)(H,56,65)(H,57,63)(H,58,64)/t35-,36-,37-,38-,42+/m1/s1
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Similars
PubMed
 11n/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