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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 = 'BDBM50120194'   
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))
BDBM50120194
PNG
(2-[Bis-(4-benzyl-piperidin-1-yl)-amino]-1-[4-(3,5-...)
Show SMILES FC(F)(F)c1cc(CN2CCN(C(C2)c2ccc(Cl)c(Cl)c2)C(=O)CN(N2CCC(Cc3ccccc3)CC2)N2CCC(Cc3ccccc3)CC2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C45H49Cl2F6N5O/c46-40-12-11-37(27-41(40)47)42-30-54(29-36-25-38(44(48,49)50)28-39(26-36)45(51,52)53)21-22-57(42)43(59)31-58(55-17-13-34(14-18-55)23-32-7-3-1-4-8-32)56-19-15-35(16-20-56)24-33-9-5-2-6-10-33/h1-12,25-28,34-35,42H,13-24,29-31H2
PDB
MMDB

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PC cid
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Similars

PubMed
110n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 1 in CHO cells by using [3H]-Sar SP as the radioligand.


Bioorg Med Chem Lett 12: 3161-5 (2002)


BindingDB Entry DOI: 10.7270/Q2HQ3Z7C
More data for this
Ligand-Target Pair