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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 = 'BDBM50116730'   
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))		BDBM50116730
PNG
(CHEMBL78851 | [3-(1-{(R)-5-[(3,5-Dichloro-benzoyl)...)
Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)n1c2ccccc2n(CC(=O)OC)c1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C35H37Cl4N5O5/c1-41(34(46)23-16-24(36)19-25(37)17-23)20-30(40-49-3)27(22-8-9-28(38)29(39)18-22)12-15-42-13-10-26(11-14-42)44-32-7-5-4-6-31(32)43(35(44)47)21-33(45)48-2/h4-9,16-19,26-27H,10-15,20-21H2,1-3H3/b40-30+/t27-/m1/s1
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PubMed
 1.80n/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