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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Substance-P receptor' and Ligand = 'BDBM50070383'   
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-P receptor


(Homo sapiens (Human))		BDBM50070383
PNG
(CHEMBL3408732)
Show SMILES [H][C@@]1(Cc2ccccc2CN(CC(=O)N(CC(C)C)Cc2ccccc2)C1=O)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r|
Show InChI InChI=1S/C40H54N8O5/c1-25(2)21-47(22-28-11-6-5-7-12-28)36(50)24-48-23-30-14-9-8-13-29(30)19-35(39(48)53)46-38(52)34(15-10-16-44-40(42)43)45-37(51)33(41)20-32-26(3)17-31(49)18-27(32)4/h5-9,11-14,17-18,25,33-35,49H,10,15-16,19-24,41H2,1-4H3,(H,45,51)(H,46,52)(H4,42,43,44)/t33-,34+,35-/m0/s1
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Article
PubMed
 1.02E+3n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]SP from human NK1 receptor expressed in CHO cells after 20 mins by liquid scintillation counting analysis

Eur J Med Chem 92: 64-77 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.033
BindingDB Entry DOI: 10.7270/Q2M90BCC
More data for this
Ligand-Target Pair