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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Oxytocin receptor' and Ligand = 'BDBM50326714'   
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


(HEK293)
BDBM50326714
PNG
((3R,6R)-6-sec-butyl-3-(2,3-dihydro-1H-inden-2-yl)-...)
Show SMILES CC[C@H](C)[C@@]1(C)N([C@@H](C(=O)N2CCOCC2)c2coc(C)n2)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1
Show InChI InChI=1S/C28H36N4O5/c1-5-17(2)28(4)27(35)30-23(21-14-19-8-6-7-9-20(19)15-21)25(33)32(28)24(22-16-37-18(3)29-22)26(34)31-10-12-36-13-11-31/h6-9,16-17,21,23-24H,5,10-15H2,1-4H3,(H,30,35)/t17-,23+,24+,28+/m0/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
0.630n/an/an/an/an/an/an/an/a



DrugMolDesign

Curated by ChEMBL


Assay Description
Displacement of [3H]-oxytocin from oxytocin receptor in human uterus tissue


J Med Chem 53: 6525-38 (2010)


Article DOI: 10.1021/jm901812z
BindingDB Entry DOI: 10.7270/Q20R9PMZ
More data for this
Ligand-Target Pair