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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 = 'BDBM50116735'   
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))		BDBM50116735
PNG
(3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-2-[(Z)...)
Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN(Cc2ccsc2)C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C34H39Cl4N5O3S/c1-40(33(44)25-16-26(35)19-27(36)17-25)21-32(39-46-2)29(24-4-5-30(37)31(38)18-24)8-14-41-12-6-28(7-13-41)43-11-3-10-42(34(43)45)20-23-9-15-47-22-23/h4-5,9,15-19,22,28-29H,3,6-8,10-14,20-21H2,1-2H3/b39-32+/t29-/m1/s1
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PubMed
 1.20n/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