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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 = 'BDBM50116747'   
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))		BDBM50116747
PNG
(3,5-Dichloro-N-((R)-3-(3,4-dichloro-phenyl)-2-[(Z)...)
Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN(Cc2nnn[nH]2)C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C31H37Cl4N9O3/c1-41(30(45)21-14-22(32)17-23(33)15-21)18-28(38-47-2)25(20-4-5-26(34)27(35)16-20)8-13-42-11-6-24(7-12-42)44-10-3-9-43(31(44)46)19-29-36-39-40-37-29/h4-5,14-17,24-25H,3,6-13,18-19H2,1-2H3,(H,36,37,39,40)/b38-28+/t25-/m1/s1
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PubMed
 1n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against recombinant human tachykinin receptor 1 in CHO cells using [3H]-Sar SP as radioligand

Bioorg Med Chem Lett 12: 2355-8 (2002)


BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair