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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Oxytocin receptor' and Ligand = 'BDBM50281511'   
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)		BDBM50281511
PNG
(Acetic acid (S)-1-(11-hydroxy-4-methoxy-9-methyl-5...)
Show SMILES COc1c(ccc2Oc3c(O)cc(C)cc3COC(=O)c12)[C@H](CC(C)C)OC(C)=O
Show InChI InChI=1S/C23H26O7/c1-12(2)8-19(29-14(4)24)16-6-7-18-20(22(16)27-5)23(26)28-11-15-9-13(3)10-17(25)21(15)30-18/h6-7,9-10,12,19,25H,8,11H2,1-5H3/t19-/m0/s1
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Similars
Article
n/an/a 8.40E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its ability to inhibit binding of Oxytocin to its Oxytocin receptor in rat uterine tissue

Bioorg Med Chem Lett 3: 337-340 (1993)


Article DOI: 10.1016/S0960-894X(01)80905-7
BindingDB Entry DOI: 10.7270/Q28052J0
More data for this
Ligand-Target Pair