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BDBM50384830 CHEMBL2035010

SMILES: CC(C)C[C@H]1N([C@@H](C(=O)NC(C)C)c2ccccc2C)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1

InChI Key: InChIKey=UIFMTIPDTXZNIG-TWJOJJKGSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50384830   
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))
BDBM50384830
PNG
(CHEMBL2035010)
Show SMILES CC(C)C[C@H]1N([C@@H](C(=O)NC(C)C)c2ccccc2C)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1 |r|
Show InChI InChI=1S/C29H37N3O3/c1-17(2)14-24-27(33)31-25(22-15-20-11-7-8-12-21(20)16-22)29(35)32(24)26(28(34)30-18(3)4)23-13-9-6-10-19(23)5/h6-13,17-18,22,24-26H,14-16H2,1-5H3,(H,30,34)(H,31,33)/t24-,25-,26-/m1/s1
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Similars

Article
PubMed
7.94n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human oxytocin receptor assessed as inhibition of oxytocin binding by FLIPR analysis


J Med Chem 55: 783-96 (2012)


Article DOI: 10.1021/jm201287w
BindingDB Entry DOI: 10.7270/Q2MS3TSH
More data for this
Ligand-Target Pair