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SMILES: CC[C@H](NC(=O)c1c(c(nc2cc(Br)ccc12)-c1ccccc1)S(C)=O)c1ccccc1

InChI Key: InChIKey=CUMXLCHFGJCMGC-GIFGLUKTSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50338395   
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
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50338395
PNG
(7-bromo-3-(methylsulfinyl)-2-phenyl-N-((S)-1-pheny...)
Show SMILES CC[C@H](NC(=O)c1c(c(nc2cc(Br)ccc12)-c1ccccc1)S(C)=O)c1ccccc1 |r|
Show InChI InChI=1S/C26H23BrN2O2S/c1-3-21(17-10-6-4-7-11-17)29-26(30)23-20-15-14-19(27)16-22(20)28-24(25(23)32(2)31)18-12-8-5-9-13-18/h4-16,21H,3H2,1-2H3,(H,29,30)/t21-,32?/m0/s1
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Article
PubMed
n/an/an/an/a 5.10n/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay

Bioorg Med Chem Lett 21: 1896-9 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.003
BindingDB Entry DOI: 10.7270/Q2XP7586
More data for this
Ligand-Target Pair