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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 = 'BDBM50472913'   
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))		BDBM50472913
PNG
(CHEMBL2112675)
Show SMILES FC(F)(F)c1ccc(C[C@@H]2CNC(=O)CCC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](Cc3ccccc3)C(=O)N2)cc1
Show InChI InChI=1S/C34H34F3N5O4/c35-34(36,37)24-12-10-22(11-13-24)16-25-20-39-30(43)14-15-31(44)41-29(18-23-19-38-27-9-5-4-8-26(23)27)33(46)42-28(32(45)40-25)17-21-6-2-1-3-7-21/h1-13,19,25,28-29,38H,14-18,20H2,(H,39,43)(H,40,45)(H,41,44)(H,42,46)/t25-,28+,29+/m1/s1
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 20n/an/an/an/an/an/an/an/a



Menarini Ricerche S.p.A.

Curated by ChEMBL


Assay Description
Binding affinity towards Tachykinin receptor 2

J Med Chem 43: 4041-4 (2000)


Article DOI: 10.1021/jm0010217
BindingDB Entry DOI: 10.7270/Q2Z322CV
More data for this
Ligand-Target Pair