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SMILES: Clc1cccc(Cl)c1-c1ccccc1CN=Nc1c(Cl)cncc1Cl

InChI Key: InChIKey=KRRXHBRDVAYWCE-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50178577   
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))		BDBM50178577
PNG
(CHEMBL204165 | N-[1-(2',6'-dichloro-biphenyl-2-yl)...)
Show SMILES Clc1cccc(Cl)c1-c1ccccc1CN=Nc1c(Cl)cncc1Cl |w:15.16,(5.27,-5.18,;6.61,-4.41,;6.61,-2.86,;7.94,-2.09,;9.27,-2.86,;9.28,-4.41,;10.61,-5.17,;7.94,-5.18,;7.94,-6.71,;6.61,-7.48,;6.61,-9.02,;7.94,-9.79,;9.28,-9.01,;9.27,-7.48,;10.6,-6.7,;11.94,-7.47,;13.27,-6.7,;14.61,-7.46,;15.93,-6.69,;15.92,-5.15,;17.26,-7.45,;17.27,-8.99,;15.94,-9.77,;14.61,-9,;13.27,-9.77,)|
Show InChI InChI=1S/C18H11Cl4N3/c19-13-6-3-7-14(20)17(13)12-5-2-1-4-11(12)8-24-25-18-15(21)9-23-10-16(18)22/h1-7,9-10H,8H2
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MMDB

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Article
PubMed
 93n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-labeled substance P from cloned human NK1 receptor expressed in CHO cells

Bioorg Med Chem Lett 16: 1362-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.047
BindingDB Entry DOI: 10.7270/Q2D50MJP
More data for this
Ligand-Target Pair