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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 = 'BDBM50120185'   
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))		BDBM50120185
PNG
(CHEMBL325547 | N-[1-((4-Acetylamino-4-phenyl-piper...)
Show SMILES CC(=O)NC1(CCN(CC1)N(CC(=O)N1CCN(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)CC1c1ccc(Cl)c(Cl)c1)N1CCC(CC1)(NC(C)=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C47H51Cl2F6N7O3/c1-32(63)56-44(36-9-5-3-6-10-36)15-19-59(20-16-44)62(60-21-17-45(18-22-60,57-33(2)64)37-11-7-4-8-12-37)31-43(65)61-24-23-58(30-42(61)35-13-14-40(48)41(49)27-35)29-34-25-38(46(50,51)52)28-39(26-34)47(53,54)55/h3-14,25-28,42H,15-24,29-31H2,1-2H3,(H,56,63)(H,57,64)
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PubMed
 148n/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