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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 = 'BDBM50016754'   
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)		BDBM50016754
PNG
(1-[20-Benzyl-14-carbamoylmethyl-23-(4-ethoxy-benzy...)
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)N2CCCC2C(=O)NCCCCCN)cc1
Show InChI InChI=1S/C51H75N9O9S2/c1-4-69-36-20-18-35(19-21-36)28-37-45(63)56-38(27-34-15-8-5-9-16-34)47(65)59-44(33(2)3)49(67)57-39(29-42(53)61)46(64)58-40(31-70-32-71-51(30-43(62)55-37)22-10-6-11-23-51)50(68)60-26-14-17-41(60)48(66)54-25-13-7-12-24-52/h5,8-9,15-16,18-21,33,37-41,44H,4,6-7,10-14,17,22-32,52H2,1-3H3,(H2,53,61)(H,54,66)(H,55,62)(H,56,63)(H,57,67)(H,58,64)(H,59,65)/t37-,38-,39-,40-,41?,44+/m1/s1
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Similars
PubMed
 8.30n/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

J Med Chem 32: 391-6 (1989)


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