BDBM50162180 9-(3-ethoxy-2-pyridyloxy)-6-phenyl-4,5,7,8-tetraazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene::CHEMBL179414

SMILES: CCOc1cccnc1COc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1

InChI Key: InChIKey=LSVOXYMZIGSSNB-UHFFFAOYSA-N

Data: 4 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50162180   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
GABA receptor alpha-5/beta-3/gamma-2 subunit (Homo sapiens (Human))	BDBM50162180 (9-(3-ethoxy-2-pyridyloxy)-6-phenyl-4,5,7,8-tetraaz...) Show SMILES CCOc1cccnc1COc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1 |(-3.36,-6.04,;-3.36,-4.5,;-2,-3.74,;-.67,-4.51,;-.67,-6.04,;.66,-6.81,;2,-6.04,;1.97,-4.51,;.66,-3.75,;.66,-2.22,;-.67,-1.45,;-.67,.09,;.64,.86,;.64,2.41,;1.81,3.48,;1.18,4.83,;-.34,4.69,;-.67,3.18,;-2,2.4,;-3.36,3.09,;-2.7,1.64,;-4.29,1.64,;-3.34,.09,;-4.67,.86,;-4.67,2.4,;-2,.86,;3.33,3.17,;4.33,4.34,;5.85,4.04,;6.34,2.57,;5.34,1.42,;3.82,1.72,)| Show InChI InChI=1S/C25H25N5O2/c1-2-31-20-9-6-14-26-19(20)15-32-25-22-17-12-10-16(11-13-17)21(22)24-28-27-23(30(24)29-25)18-7-4-3-5-8-18/h3-9,14,16-17H,2,10-13,15H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibition of [3H]-Ro-15-1788 binding to recombinant human gamma-aminobutyric-acid A receptor alpha5-beta3-gamma2 subtype expressed in L (tk-) cells				J Med Chem 48: 1367-83 (2005) Article DOI: 10.1021/jm040883v BindingDB Entry DOI: 10.7270/Q2ZW1KD2
					More data for this Ligand-Target Pair
GABA receptor alpha-3/beta-3/gamma-2 subunit (Homo sapiens (Human))	BDBM50162180 (9-(3-ethoxy-2-pyridyloxy)-6-phenyl-4,5,7,8-tetraaz...) Show SMILES CCOc1cccnc1COc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1 |(-3.36,-6.04,;-3.36,-4.5,;-2,-3.74,;-.67,-4.51,;-.67,-6.04,;.66,-6.81,;2,-6.04,;1.97,-4.51,;.66,-3.75,;.66,-2.22,;-.67,-1.45,;-.67,.09,;.64,.86,;.64,2.41,;1.81,3.48,;1.18,4.83,;-.34,4.69,;-.67,3.18,;-2,2.4,;-3.36,3.09,;-2.7,1.64,;-4.29,1.64,;-3.34,.09,;-4.67,.86,;-4.67,2.4,;-2,.86,;3.33,3.17,;4.33,4.34,;5.85,4.04,;6.34,2.57,;5.34,1.42,;3.82,1.72,)| Show InChI InChI=1S/C25H25N5O2/c1-2-31-20-9-6-14-26-19(20)15-32-25-22-17-12-10-16(11-13-17)21(22)24-28-27-23(30(24)29-25)18-7-4-3-5-8-18/h3-9,14,16-17H,2,10-13,15H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibition of [3H]-Ro-15-1788 binding to recombinant human gamma-aminobutyric-acid A receptor alpha3-beta3-gamma2 subtype expressed in L (tk-) cells				J Med Chem 48: 1367-83 (2005) Article DOI: 10.1021/jm040883v BindingDB Entry DOI: 10.7270/Q2ZW1KD2
					More data for this Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit (Homo sapiens (Human))	BDBM50162180 (9-(3-ethoxy-2-pyridyloxy)-6-phenyl-4,5,7,8-tetraaz...) Show SMILES CCOc1cccnc1COc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1 |(-3.36,-6.04,;-3.36,-4.5,;-2,-3.74,;-.67,-4.51,;-.67,-6.04,;.66,-6.81,;2,-6.04,;1.97,-4.51,;.66,-3.75,;.66,-2.22,;-.67,-1.45,;-.67,.09,;.64,.86,;.64,2.41,;1.81,3.48,;1.18,4.83,;-.34,4.69,;-.67,3.18,;-2,2.4,;-3.36,3.09,;-2.7,1.64,;-4.29,1.64,;-3.34,.09,;-4.67,.86,;-4.67,2.4,;-2,.86,;3.33,3.17,;4.33,4.34,;5.85,4.04,;6.34,2.57,;5.34,1.42,;3.82,1.72,)| Show InChI InChI=1S/C25H25N5O2/c1-2-31-20-9-6-14-26-19(20)15-32-25-22-17-12-10-16(11-13-17)21(22)24-28-27-23(30(24)29-25)18-7-4-3-5-8-18/h3-9,14,16-17H,2,10-13,15H2,1H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibition of [3H]-Ro-15-1788 binding to recombinant human gamma-aminobutyric acid A receptor alpha2-beta3-gamma2 subtype expressed in L (tk-) cells				J Med Chem 48: 1367-83 (2005) Article DOI: 10.1021/jm040883v BindingDB Entry DOI: 10.7270/Q2ZW1KD2
					More data for this Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit (Homo sapiens (Human))	BDBM50162180 (9-(3-ethoxy-2-pyridyloxy)-6-phenyl-4,5,7,8-tetraaz...) Show SMILES CCOc1cccnc1COc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1 |(-3.36,-6.04,;-3.36,-4.5,;-2,-3.74,;-.67,-4.51,;-.67,-6.04,;.66,-6.81,;2,-6.04,;1.97,-4.51,;.66,-3.75,;.66,-2.22,;-.67,-1.45,;-.67,.09,;.64,.86,;.64,2.41,;1.81,3.48,;1.18,4.83,;-.34,4.69,;-.67,3.18,;-2,2.4,;-3.36,3.09,;-2.7,1.64,;-4.29,1.64,;-3.34,.09,;-4.67,.86,;-4.67,2.4,;-2,.86,;3.33,3.17,;4.33,4.34,;5.85,4.04,;6.34,2.57,;5.34,1.42,;3.82,1.72,)| Show InChI InChI=1S/C25H25N5O2/c1-2-31-20-9-6-14-26-19(20)15-32-25-22-17-12-10-16(11-13-17)21(22)24-28-27-23(30(24)29-25)18-7-4-3-5-8-18/h3-9,14,16-17H,2,10-13,15H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibition of [3H]-Ro-15-1788 binding to recombinant human gamma-aminobutyric-acid A receptor alpha1-beta3-gamma2 subtype expressed in L (tk-) cells				J Med Chem 48: 1367-83 (2005) Article DOI: 10.1021/jm040883v BindingDB Entry DOI: 10.7270/Q2ZW1KD2
					More data for this Ligand-Target Pair