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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 = 'BDBM50116716'   
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))		BDBM50116716
PNG
(3,5-Dichloro-N-cyclopropyl-N-{(R)-3-(3,4-dichloro-...)
Show SMILES CO\N=C(/CN(C1CC1)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C34H35Cl4N5O3/c1-46-40-31(20-42(25-7-8-25)33(44)22-16-23(35)19-24(36)17-22)27(21-6-9-28(37)29(38)18-21)12-15-41-13-10-26(11-14-41)43-32-5-3-2-4-30(32)39-34(43)45/h2-6,9,16-19,25-27H,7-8,10-15,20H2,1H3,(H,39,45)/b40-31+/t27-/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