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BDBM50418454 CHEMBL1783254

SMILES: COc1ccc(OC)c(c1)-c1cccc2c(N)c(nnc12)C(=O)NC1CC(C)C1

InChI Key: InChIKey=XGEQEYJHZCAALH-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50418454   
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
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens (Human))		BDBM50418454
PNG
(CHEMBL1783254)
Show SMILES COc1ccc(OC)c(c1)-c1cccc2c(N)c(nnc12)C(=O)NC1CC(C)C1 |(-4.24,-5.71,;-4.24,-4.17,;-5.58,-3.4,;-6.92,-4.18,;-8.25,-3.41,;-8.25,-1.87,;-9.58,-1.09,;-9.57,.45,;-6.91,-1.11,;-5.58,-1.87,;-6.91,.43,;-8.24,1.2,;-8.24,2.75,;-6.91,3.52,;-5.58,2.75,;-4.24,3.54,;-4.25,5.08,;-2.89,2.76,;-2.88,1.2,;-4.23,.43,;-5.57,1.2,;-1.56,3.54,;-1.56,5.08,;-.22,2.77,;1.11,3.54,;2.6,3.14,;3,4.63,;4.33,5.4,;1.51,5.02,)|
Show InChI InChI=1S/C22H24N4O3/c1-12-9-13(10-12)24-22(27)21-19(23)16-6-4-5-15(20(16)25-26-21)17-11-14(28-2)7-8-18(17)29-3/h4-8,11-13H,9-10H2,1-3H3,(H2,23,25)(H,24,27)
PDB

KEGG

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UniProtKB/TrEMBL

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Similars
Article
PubMed
 13.8n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]flunitrazepam from benzodiazepine binding site GABAA alpha2beta3gamma2 receptor expressed in Sf9 cells after 1 hr

Bioorg Med Chem 19: 2927-38 (2011)


Article DOI: 10.1016/j.bmc.2011.03.035
BindingDB Entry DOI: 10.7270/Q29S1S98
More data for this
Ligand-Target Pair