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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 = 'BDBM50116739'   
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))
BDBM50116739
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(O)C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C29H35Cl4N5O4/c1-35(28(39)20-14-21(30)17-22(31)15-20)18-27(34-42-2)24(19-4-5-25(32)26(33)16-19)8-13-36-11-6-23(7-12-36)37-9-3-10-38(41)29(37)40/h4-5,14-17,23-24,41H,3,6-13,18H2,1-2H3/b34-27+/t24-/m1/s1
PDB
MMDB

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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