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SMILES: CC1OC(=O)N(CC(=O)NCc2cc3cc(ccc3o2)C(=O)N2CCC(CC2)N2C(=O)OCc3ccccc23)C1=O

InChI Key: InChIKey=KEMLTGLUJRRKCP-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50219515   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Oxytocin receptor


(Homo sapiens (Human))		BDBM50219515
PNG
(CHEMBL31802)
Show SMILES CC1OC(=O)N(CC(=O)NCc2cc3cc(ccc3o2)C(=O)N2CCC(CC2)N2C(=O)OCc3ccccc23)C1=O
Show InChI InChI=1S/C29H28N4O8/c1-17-26(35)32(28(37)40-17)15-25(34)30-14-22-13-20-12-18(6-7-24(20)41-22)27(36)31-10-8-21(9-11-31)33-23-5-3-2-4-19(23)16-39-29(33)38/h2-7,12-13,17,21H,8-11,14-16H2,1H3,(H,30,34)
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PubMed
 25n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Ability to displace [3H]oxytocin from human OT receptor (hOT)

Bioorg Med Chem Lett 12: 1399-404 (2002)


BindingDB Entry DOI: 10.7270/Q2HT2RH4
More data for this
Ligand-Target Pair