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SMILES: COc1ccc(cc1)-c1c(cc2cccnn12)C(=O)N1CCC[C@H]1CO

InChI Key: InChIKey=DGAOYSRDESZCLV-INIZCTEOSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50395950   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50395950
PNG
(CHEMBL2164564)
Show SMILES COc1ccc(cc1)-c1c(cc2cccnn12)C(=O)N1CCC[C@H]1CO |r|
Show InChI InChI=1S/C20H21N3O3/c1-26-17-8-6-14(7-9-17)19-18(12-15-4-2-10-21-23(15)19)20(25)22-11-3-5-16(22)13-24/h2,4,6-10,12,16,24H,3,5,11,13H2,1H3/t16-/m0/s1
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PubMed
n/an/a 3.16E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells by IonWorks assay

Bioorg Med Chem Lett 22: 6888-95 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.059
BindingDB Entry DOI: 10.7270/Q26W9C63
More data for this
Ligand-Target Pair