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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 = 'BDBM50002389'   
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


(Rattus norvegicus (rat))		BDBM50002389
PNG
(1,15a,17a-trimethyl-(1S,15aS,17aS)-2,3,3a,3b,4,5,5...)
Show SMILES C[C@]1(O)CCC2C3CCC4Cc5nc6nc7ccccc7n6cc5C[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C28H35N3O/c1-26-15-17-16-31-24-7-5-4-6-22(24)29-25(31)30-23(17)14-18(26)8-9-19-20(26)10-12-27(2)21(19)11-13-28(27,3)32/h4-7,16,18-21,32H,8-15H2,1-3H3/t18?,19?,20?,21?,26-,27-,28-/m0/s1
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n/an/a 200n/an/an/an/an/an/a



Rochester

Curated by ChEMBL


Assay Description
Inhibition of [125]I-Bolton Hunter Substance P([125]I-BHSP) binding to standard Tachykinin receptor 1 from rat forebrain membranes.

J Med Chem 35: 374-8 (1992)


BindingDB Entry DOI: 10.7270/Q2VQ338K
More data for this
Ligand-Target Pair