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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 = 'BDBM50116737'   
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))		BDBM50116737
PNG
(CHEMBL312612 | [3-(1-{(R)-5-[(3,5-Dichloro-benzoyl...)
Show SMILES CO\N=C(/CN(CCF)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)n1c2ccccc2n(CC(O)=O)c1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C35H36Cl4FN5O5/c1-50-41-30(20-43(15-11-40)34(48)23-16-24(36)19-25(37)17-23)27(22-6-7-28(38)29(39)18-22)10-14-42-12-8-26(9-13-42)45-32-5-3-2-4-31(32)44(35(45)49)21-33(46)47/h2-7,16-19,26-27H,8-15,20-21H2,1H3,(H,46,47)/b41-30+/t27-/m1/s1
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MMDB

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Similars
PubMed
 1.20n/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