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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Substance-K receptor' and Ligand = 'BDBM50116718'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Substance-K receptor


(Homo sapiens (Human))		BDBM50116718
PNG
(3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-2-[(Z)...)
Show SMILES CCN(C\C(=N/OC)[C@H](CCN1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C33H35Cl4N5O3/c1-3-41(32(43)22-16-23(34)19-24(35)17-22)20-30(39-45-2)26(21-8-9-27(36)28(37)18-21)12-15-40-13-10-25(11-14-40)42-31-7-5-4-6-29(31)38-33(42)44/h4-9,16-19,25-26H,3,10-15,20H2,1-2H3,(H,38,44)/b39-30+/t26-/m1/s1
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Similars
PubMed
 2.60n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against recombinant human tachykinin receptor 2 in CHO cells using [3H]-NKA as radioligand

Bioorg Med Chem Lett 12: 2355-8 (2002)


BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair