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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 = 'BDBM50286416'   
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))		BDBM50286416
PNG
((3S,5aR,11aS,3'S,5'aR,11'aS)-3,3'-Dibenzyl-10-meth...)
Show SMILES Cc1cccc2N[C@@H]3N4[C@@H](CC3(c12)C12C[C@@H]3N([C@H]1Nc1ccccc21)C(=O)[C@H](Cc1ccccc1)NC3=O)C(=O)N[C@@H](Cc1ccccc1)C4=O
Show InChI InChI=1S/C41H38N6O4/c1-23-11-10-18-28-33(23)41(22-32-35(49)43-30(20-25-14-6-3-7-15-25)37(51)47(32)39(41)45-28)40-21-31-34(48)42-29(19-24-12-4-2-5-13-24)36(50)46(31)38(40)44-27-17-9-8-16-26(27)40/h2-18,29-32,38-39,44-45H,19-22H2,1H3,(H,42,48)(H,43,49)/t29-,30-,31-,32-,38+,39+,40?,41?/m0/s1
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Similars
Article
n/an/a 440n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonistic activity against Tachykinin receptor 1

Bioorg Med Chem Lett 5: 377-380 (1995)


Article DOI: 10.1016/0960-894X(95)00039-V
BindingDB Entry DOI: 10.7270/Q29023R8
More data for this
Ligand-Target Pair