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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 = 'BDBM50116734'   
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))		BDBM50116734
PNG
(3,5-Dichloro-N-{(R)-5-[4-(3-cyanomethyl-2-oxo-2,3-...)
Show SMILES CCN(C\C(=N/OC)[C@H](CCN1CCC(CC1)n1c2ccccc2n(CC#N)c1=O)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C35H36Cl4N6O3/c1-3-43(34(46)24-18-25(36)21-26(37)19-24)22-31(41-48-2)28(23-8-9-29(38)30(39)20-23)12-16-42-14-10-27(11-15-42)45-33-7-5-4-6-32(33)44(17-13-40)35(45)47/h4-9,18-21,27-28H,3,10-12,14-17,22H2,1-2H3/b41-31+/t28-/m1/s1
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PubMed
 2.5n/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