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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 = 'BDBM50016761'   
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)		BDBM50016761
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)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(N)=O)cc1
Show InChI InChI=1S/C52H76N10O10S2/c1-4-72-35-20-18-34(19-21-35)27-37-46(66)58-38(26-33-14-7-5-8-15-33)48(68)61-44(32(2)3)50(70)59-39(28-42(54)63)47(67)60-40(30-73-31-74-52(29-43(64)56-37)22-10-6-11-23-52)51(71)62-25-13-17-41(62)49(69)57-36(45(55)65)16-9-12-24-53/h5,7-8,14-15,18-21,32,36-41,44H,4,6,9-13,16-17,22-31,53H2,1-3H3,(H2,54,63)(H2,55,65)(H,56,64)(H,57,69)(H,58,66)(H,59,70)(H,60,67)(H,61,68)/t36-,37+,38-,39-,40+,41-,44-/m0/s1
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PC cid
PC sid
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Similars
PubMed
 9.40n/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