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SMILES: COc1ccc(F)cc1[C@H]1COCC2(C1)OCCN[C@H]2c1ccc(F)cc1

InChI Key: InChIKey=ZKJLPFCGPKLADH-GZOQVGHDSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50117511   
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
Substance-P receptor


(Homo sapiens (Human))		BDBM50117511
PNG
((3S,5S,10S)-10-(5-Fluoro-2-methoxy-phenyl)-5-(4-fl...)
Show SMILES COc1ccc(F)cc1[C@H]1COCC2(C1)OCCN[C@H]2c1ccc(F)cc1
Show InChI InChI=1S/C21H23F2NO3/c1-25-19-7-6-17(23)10-18(19)15-11-21(13-26-12-15)20(24-8-9-27-21)14-2-4-16(22)5-3-14/h2-7,10,15,20,24H,8-9,11-13H2,1H3/t15-,20+,21?/m1/s1
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Similars
PubMed
n/an/a 10n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-labeled substance P from human Tachykinin receptor 1 expressed in CHO cells

Bioorg Med Chem Lett 12: 2515-8 (2002)


BindingDB Entry DOI: 10.7270/Q27P8XQ9
More data for this
Ligand-Target Pair