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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 = 'BDBM50116729'   
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))		BDBM50116729
PNG
((R)-2-[3-(1-{(R)-5-[(3,5-Dichloro-benzoyl)-methyl-...)
Show SMILES CCOC(=O)[C@@H](Cc1ccc(O)cc1)N1CCCN(C2CCN(CC[C@@H](\C(CN(C)C(=O)c3cc(Cl)cc(Cl)c3)=N\OC)c3ccc(Cl)c(Cl)c3)CC2)C1=O
Show InChI InChI=1S/C40H47Cl4N5O6/c1-4-55-39(52)37(20-26-6-9-32(50)10-7-26)49-16-5-15-48(40(49)53)31-12-17-47(18-13-31)19-14-33(27-8-11-34(43)35(44)23-27)36(45-54-3)25-46(2)38(51)28-21-29(41)24-30(42)22-28/h6-11,21-24,31,33,37,50H,4-5,12-20,25H2,1-3H3/b45-36+/t33-,37-/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