BDBM50162219 5-methyl-2-pyridyl 6-phenyl-4,5,7,8-tetraazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-9-yl ether::CHEMBL178710

SMILES: Cc1ccc(COc2nn3c(nnc3c3C4CCC(CC4)c23)-c2ccccc2)nc1

InChI Key: InChIKey=WWDXVOFHKJTAKM-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 = 50162219   

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))	BDBM50162219 (5-methyl-2-pyridyl 6-phenyl-4,5,7,8-tetraazatetrac...) Show SMILES Cc1ccc(COc2nn3c(nnc3c3C4CCC(CC4)c23)-c2ccccc2)nc1 |(.35,-8.55,;.35,-7.01,;-.98,-6.23,;-.98,-4.7,;.35,-3.95,;.35,-2.41,;-.98,-1.64,;-.98,-.1,;.33,.65,;.33,2.21,;1.5,3.27,;.87,4.64,;-.65,4.48,;-.98,2.99,;-2.31,2.21,;-3.66,2.89,;-4.97,2.21,;-4.97,.65,;-3.64,-.1,;-4.59,1.44,;-3.01,1.44,;-2.31,.65,;3.02,2.97,;3.51,1.51,;5.02,1.21,;6.03,2.37,;5.53,3.83,;4.02,4.12,;1.67,-4.7,;1.68,-6.23,)| Show InChI InChI=1S/C24H23N5O/c1-15-7-12-19(25-13-15)14-30-24-21-17-10-8-16(9-11-17)20(21)23-27-26-22(29(23)28-24)18-5-3-2-4-6-18/h2-7,12-13,16-17H,8-11,14H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.20	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))	BDBM50162219 (5-methyl-2-pyridyl 6-phenyl-4,5,7,8-tetraazatetrac...) Show SMILES Cc1ccc(COc2nn3c(nnc3c3C4CCC(CC4)c23)-c2ccccc2)nc1 |(.35,-8.55,;.35,-7.01,;-.98,-6.23,;-.98,-4.7,;.35,-3.95,;.35,-2.41,;-.98,-1.64,;-.98,-.1,;.33,.65,;.33,2.21,;1.5,3.27,;.87,4.64,;-.65,4.48,;-.98,2.99,;-2.31,2.21,;-3.66,2.89,;-4.97,2.21,;-4.97,.65,;-3.64,-.1,;-4.59,1.44,;-3.01,1.44,;-2.31,.65,;3.02,2.97,;3.51,1.51,;5.02,1.21,;6.03,2.37,;5.53,3.83,;4.02,4.12,;1.67,-4.7,;1.68,-6.23,)| Show InChI InChI=1S/C24H23N5O/c1-15-7-12-19(25-13-15)14-30-24-21-17-10-8-16(9-11-17)20(21)23-27-26-22(29(23)28-24)18-5-3-2-4-6-18/h2-7,12-13,16-17H,8-11,14H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	15	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))	BDBM50162219 (5-methyl-2-pyridyl 6-phenyl-4,5,7,8-tetraazatetrac...) Show SMILES Cc1ccc(COc2nn3c(nnc3c3C4CCC(CC4)c23)-c2ccccc2)nc1 |(.35,-8.55,;.35,-7.01,;-.98,-6.23,;-.98,-4.7,;.35,-3.95,;.35,-2.41,;-.98,-1.64,;-.98,-.1,;.33,.65,;.33,2.21,;1.5,3.27,;.87,4.64,;-.65,4.48,;-.98,2.99,;-2.31,2.21,;-3.66,2.89,;-4.97,2.21,;-4.97,.65,;-3.64,-.1,;-4.59,1.44,;-3.01,1.44,;-2.31,.65,;3.02,2.97,;3.51,1.51,;5.02,1.21,;6.03,2.37,;5.53,3.83,;4.02,4.12,;1.67,-4.7,;1.68,-6.23,)| Show InChI InChI=1S/C24H23N5O/c1-15-7-12-19(25-13-15)14-30-24-21-17-10-8-16(9-11-17)20(21)23-27-26-22(29(23)28-24)18-5-3-2-4-6-18/h2-7,12-13,16-17H,8-11,14H2,1H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	17	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))	BDBM50162219 (5-methyl-2-pyridyl 6-phenyl-4,5,7,8-tetraazatetrac...) Show SMILES Cc1ccc(COc2nn3c(nnc3c3C4CCC(CC4)c23)-c2ccccc2)nc1 |(.35,-8.55,;.35,-7.01,;-.98,-6.23,;-.98,-4.7,;.35,-3.95,;.35,-2.41,;-.98,-1.64,;-.98,-.1,;.33,.65,;.33,2.21,;1.5,3.27,;.87,4.64,;-.65,4.48,;-.98,2.99,;-2.31,2.21,;-3.66,2.89,;-4.97,2.21,;-4.97,.65,;-3.64,-.1,;-4.59,1.44,;-3.01,1.44,;-2.31,.65,;3.02,2.97,;3.51,1.51,;5.02,1.21,;6.03,2.37,;5.53,3.83,;4.02,4.12,;1.67,-4.7,;1.68,-6.23,)| Show InChI InChI=1S/C24H23N5O/c1-15-7-12-19(25-13-15)14-30-24-21-17-10-8-16(9-11-17)20(21)23-27-26-22(29(23)28-24)18-5-3-2-4-6-18/h2-7,12-13,16-17H,8-11,14H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	56	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