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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 = 'BDBM50116722'   
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))		BDBM50116722
PNG
(CHEMBL263243 | N-{(R)-5-{4-[3-((R)-1-Carbamoyl-2-h...)
Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN([C@H](CO)C(N)=O)C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C32H40Cl4N6O5/c1-39(31(45)21-14-22(33)17-23(34)15-21)18-28(38-47-2)25(20-4-5-26(35)27(36)16-20)8-13-40-11-6-24(7-12-40)41-9-3-10-42(32(41)46)29(19-43)30(37)44/h4-5,14-17,24-25,29,43H,3,6-13,18-19H2,1-2H3,(H2,37,44)/b38-28+/t25-,29-/m1/s1
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Similars
PubMed
 0.600n/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