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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Oxytocin receptor' and Ligand = 'BDBM50406691'   
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
Oxytocin receptor


(RAT)		BDBM50406691
PNG
(CHEMBL2112654)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C38H52N8O6/c1-3-24(2)32-38(52)46-18-10-8-15-31(46)37(51)45-17-9-7-14-29(45)35(49)42-28(21-26-22-39-23-40-26)36(50)44-19-11-16-30(44)34(48)41-27(33(47)43-32)20-25-12-5-4-6-13-25/h4-6,12-13,22-24,27-32H,3,7-11,14-21H2,1-2H3,(H,39,40)(H,41,48)(H,42,49)(H,43,47)/t24-,27+,28+,29-,30-,31+,32-/m0/s1
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PubMed
n/an/a 88n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of [3H]oxytocin from rat uterine receptor.

J Med Chem 35: 3905-18 (1992)


BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair