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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 = 'BDBM50116742'   
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))
BDBM50116742
PNG
(CHEMBL75479 | [3-(1-{(R)-5-[(3,5-Dichloro-benzoyl)...)
Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN(CC(=O)OCc2ccccc2)C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C38H43Cl4N5O5/c1-44(37(49)28-19-29(39)22-30(40)20-28)23-35(43-51-2)32(27-9-10-33(41)34(42)21-27)13-18-45-16-11-31(12-17-45)47-15-6-14-46(38(47)50)24-36(48)52-25-26-7-4-3-5-8-26/h3-5,7-10,19-22,31-32H,6,11-18,23-25H2,1-2H3/b43-35+/t32-/m1/s1
PDB
MMDB

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PC cid
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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