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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 = 'BDBM50116727'   
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))		BDBM50116727
PNG
(3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-5-{4-[...)
Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN(CC(C)(C)O)C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C33H43Cl4N5O4/c1-33(2,45)21-41-11-5-12-42(32(41)44)26-8-13-40(14-9-26)15-10-27(22-6-7-28(36)29(37)18-22)30(38-46-4)20-39(3)31(43)23-16-24(34)19-25(35)17-23/h6-7,16-19,26-27,45H,5,8-15,20-21H2,1-4H3/b38-30+/t27-/m1/s1
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MMDB

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PubMed
 0.5n/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