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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Vasopressin V2 receptor' and Ligand = 'BDBM50020698'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Vasopressin V2 receptor


(Sus scrofa)		BDBM50020698
PNG
(1-(13,16-Dibenzyl-7-carbamoylmethyl-20-cyclopentyl...)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CC(SSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)C1CCCC1
Show InChI InChI=1S/C51H73N13O10S2/c1-29(2)43-49(73)61-36(25-40(52)65)46(70)62-37(50(74)64-22-12-20-38(64)48(72)59-33(19-11-21-56-51(54)55)44(68)57-27-41(53)66)28-75-76-39(32-17-9-10-18-32)26-42(67)58-34(23-30-13-5-3-6-14-30)45(69)60-35(47(71)63-43)24-31-15-7-4-8-16-31/h3-8,13-16,29,32-39,43H,9-12,17-28H2,1-2H3,(H2,52,65)(H2,53,66)(H,57,68)(H,58,67)(H,59,72)(H,60,69)(H,61,73)(H,62,70)(H,63,71)(H4,54,55,56)/t33-,34-,35-,36-,37-,38-,39?,43-/m0/s1
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PC cid
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Similars
PubMed
 46n/an/an/an/an/an/an/an/a



Smith Kline and French Laboratories

Curated by ChEMBL


Assay Description
Inhibition of LVP-sensitive adenylate cyclase in a pig renal medullary preparation

J Med Chem 31: 742-4 (1988)


BindingDB Entry DOI: 10.7270/Q2VD6XFS
More data for this
Ligand-Target Pair