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BDBM50384826 CHEMBL2035015

SMILES: CC(C)C[C@H]1N([C@@H](C(=O)NC(C)C)c2ccccc2-c2ccccc2)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1

InChI Key: InChIKey=NQHYJQKIQNYBNO-JFHPUIQFSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50384826   
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


(HEK293)
BDBM50384826
PNG
(CHEMBL2035015)
Show SMILES CC(C)C[C@H]1N([C@@H](C(=O)NC(C)C)c2ccccc2-c2ccccc2)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1
Show InChI InChI=1S/C34H39N3O3/c1-21(2)18-29-32(38)36-30(26-19-24-14-8-9-15-25(24)20-26)34(40)37(29)31(33(39)35-22(3)4)28-17-11-10-16-27(28)23-12-6-5-7-13-23/h5-17,21-22,26,29-31H,18-20H2,1-4H3,(H,35,39)(H,36,38)/t29-,30-,31-/m1/s1
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PC cid
PC sid
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Similars

Article
PubMed
39.8n/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