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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 = 'BDBM50116746'   
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))		BDBM50116746
PNG
(3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-2-[(Z)...)
Show SMILES CCN(C\C(=N/OC)[C@H](CCN1CCC(CC1)n1c2ccccc2n(Cc2ccccn2)c1=O)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C39H40Cl4N6O3/c1-3-47(38(50)27-20-28(40)23-29(41)21-27)25-35(45-52-2)32(26-11-12-33(42)34(43)22-26)15-19-46-17-13-31(14-18-46)49-37-10-5-4-9-36(37)48(39(49)51)24-30-8-6-7-16-44-30/h4-12,16,20-23,31-32H,3,13-15,17-19,24-25H2,1-2H3/b45-35+/t32-/m1/s1
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Similars
PubMed
 2.80n/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