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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Oxytocin receptor' and Ligand = 'BDBM50001330'   
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)
BDBM50001330
PNG
((6,15-Dibenzyl-3-sec-butyl-16-methyl-2,5,8,14,17,2...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](CC(O)=O)NC(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C40H52N6O8/c1-4-25(2)34-40(54)46-20-12-11-18-30(46)37(51)42-29(24-33(47)48)38(52)44(3)32(23-27-16-9-6-10-17-27)39(53)45-21-13-19-31(45)36(50)41-28(35(49)43-34)22-26-14-7-5-8-15-26/h5-10,14-17,25,28-32,34H,4,11-13,18-24H2,1-3H3,(H,41,50)(H,42,51)(H,43,49)(H,47,48)/t25-,28+,29-,30+,31-,32+,34-/m0/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.50E+3n/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)


Article DOI: 10.1021/jm00099a019
BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair