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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 = 'BDBM50106900'   
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))		BDBM50106900
PNG
(CHEMBL103979 | N-Methyl-N-[(E)-(R)-1-naphthalen-2-...)
Show SMILES CN([C@H](Cc1ccc2ccccc2c1)\C=C\C(=O)N[C@@H]1CCCCNC1=O)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C31H29F6N3O3/c1-40(29(43)22-16-23(30(32,33)34)18-24(17-22)31(35,36)37)25(15-19-9-10-20-6-2-3-7-21(20)14-19)11-12-27(41)39-26-8-4-5-13-38-28(26)42/h2-3,6-7,9-12,14,16-18,25-26H,4-5,8,13,15H2,1H3,(H,38,42)(H,39,41)/b12-11+/t25-,26+/m0/s1
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PubMed
n/an/a 1.10n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vitro binding affinity for Tachykinin receptor 1 of bovine retinal membranes using [3H]-Sar9-substance P as radioligand

Bioorg Med Chem Lett 11: 3081-4 (2001)


BindingDB Entry DOI: 10.7270/Q2V40THD
More data for this
Ligand-Target Pair