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BDBM50384829 CHEMBL2035011

SMILES: CCc1ccccc1[C@@H](N1[C@H](CC(C)C)C(=O)N[C@H](C2Cc3ccccc3C2)C1=O)C(=O)NC(C)C

InChI Key: InChIKey=LAFISFXSAFUSDF-ZONZVBGPSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50384829   
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))		BDBM50384829
PNG
(CHEMBL2035011)
Show SMILES CCc1ccccc1[C@@H](N1[C@H](CC(C)C)C(=O)N[C@H](C2Cc3ccccc3C2)C1=O)C(=O)NC(C)C |r|
Show InChI InChI=1S/C30H39N3O3/c1-6-20-11-9-10-14-24(20)27(29(35)31-19(4)5)33-25(15-18(2)3)28(34)32-26(30(33)36)23-16-21-12-7-8-13-22(21)17-23/h7-14,18-19,23,25-27H,6,15-17H2,1-5H3,(H,31,35)(H,32,34)/t25-,26-,27-/m1/s1
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Similars
Article
PubMed
 15.8n/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