BDBM50162197 3,6-dimethyl-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::CHEMBL369035

SMILES: Cc1ccc(C)c(COc2nn3c(nnc3c3C4CCC(CC4)c23)-c2ccccc2)n1

InChI Key: InChIKey=FLTOAJWVMNMXMX-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 = 50162197   

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))	BDBM50162197 (3,6-dimethyl-2-pyridyl 6-phenyl-4,5,7,8-tetraazate...) Show SMILES Cc1ccc(C)c(COc2nn3c(nnc3c3C4CCC(CC4)c23)-c2ccccc2)n1 |(3.01,-6.91,;1.66,-6.16,;.33,-6.93,;-1,-6.16,;-1,-4.62,;-2.33,-3.83,;.33,-3.87,;.33,-2.33,;-1,-1.56,;-1,-.02,;.33,.74,;.33,2.29,;1.49,3.35,;.85,4.71,;-.67,4.57,;-1,3.07,;-2.33,2.28,;-3.68,2.96,;-3.03,1.52,;-4.6,1.52,;-3.66,-.03,;-4.99,.74,;-4.99,2.28,;-2.33,.74,;3.01,3.05,;4,4.2,;5.51,3.91,;6,2.45,;5,1.28,;3.5,1.59,;1.64,-4.62,)| Show InChI InChI=1S/C25H25N5O/c1-15-8-9-16(2)26-20(15)14-31-25-22-18-12-10-17(11-13-18)21(22)24-28-27-23(30(24)29-25)19-6-4-3-5-7-19/h3-9,17-18H,10-14H2,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.840	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))	BDBM50162197 (3,6-dimethyl-2-pyridyl 6-phenyl-4,5,7,8-tetraazate...) Show SMILES Cc1ccc(C)c(COc2nn3c(nnc3c3C4CCC(CC4)c23)-c2ccccc2)n1 |(3.01,-6.91,;1.66,-6.16,;.33,-6.93,;-1,-6.16,;-1,-4.62,;-2.33,-3.83,;.33,-3.87,;.33,-2.33,;-1,-1.56,;-1,-.02,;.33,.74,;.33,2.29,;1.49,3.35,;.85,4.71,;-.67,4.57,;-1,3.07,;-2.33,2.28,;-3.68,2.96,;-3.03,1.52,;-4.6,1.52,;-3.66,-.03,;-4.99,.74,;-4.99,2.28,;-2.33,.74,;3.01,3.05,;4,4.2,;5.51,3.91,;6,2.45,;5,1.28,;3.5,1.59,;1.64,-4.62,)| Show InChI InChI=1S/C25H25N5O/c1-15-8-9-16(2)26-20(15)14-31-25-22-18-12-10-17(11-13-18)21(22)24-28-27-23(30(24)29-25)19-6-4-3-5-7-19/h3-9,17-18H,10-14H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.60	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))	BDBM50162197 (3,6-dimethyl-2-pyridyl 6-phenyl-4,5,7,8-tetraazate...) Show SMILES Cc1ccc(C)c(COc2nn3c(nnc3c3C4CCC(CC4)c23)-c2ccccc2)n1 |(3.01,-6.91,;1.66,-6.16,;.33,-6.93,;-1,-6.16,;-1,-4.62,;-2.33,-3.83,;.33,-3.87,;.33,-2.33,;-1,-1.56,;-1,-.02,;.33,.74,;.33,2.29,;1.49,3.35,;.85,4.71,;-.67,4.57,;-1,3.07,;-2.33,2.28,;-3.68,2.96,;-3.03,1.52,;-4.6,1.52,;-3.66,-.03,;-4.99,.74,;-4.99,2.28,;-2.33,.74,;3.01,3.05,;4,4.2,;5.51,3.91,;6,2.45,;5,1.28,;3.5,1.59,;1.64,-4.62,)| Show InChI InChI=1S/C25H25N5O/c1-15-8-9-16(2)26-20(15)14-31-25-22-18-12-10-17(11-13-18)21(22)24-28-27-23(30(24)29-25)19-6-4-3-5-7-19/h3-9,17-18H,10-14H2,1-2H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.70	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))	BDBM50162197 (3,6-dimethyl-2-pyridyl 6-phenyl-4,5,7,8-tetraazate...) Show SMILES Cc1ccc(C)c(COc2nn3c(nnc3c3C4CCC(CC4)c23)-c2ccccc2)n1 |(3.01,-6.91,;1.66,-6.16,;.33,-6.93,;-1,-6.16,;-1,-4.62,;-2.33,-3.83,;.33,-3.87,;.33,-2.33,;-1,-1.56,;-1,-.02,;.33,.74,;.33,2.29,;1.49,3.35,;.85,4.71,;-.67,4.57,;-1,3.07,;-2.33,2.28,;-3.68,2.96,;-3.03,1.52,;-4.6,1.52,;-3.66,-.03,;-4.99,.74,;-4.99,2.28,;-2.33,.74,;3.01,3.05,;4,4.2,;5.51,3.91,;6,2.45,;5,1.28,;3.5,1.59,;1.64,-4.62,)| Show InChI InChI=1S/C25H25N5O/c1-15-8-9-16(2)26-20(15)14-31-25-22-18-12-10-17(11-13-18)21(22)24-28-27-23(30(24)29-25)19-6-4-3-5-7-19/h3-9,17-18H,10-14H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27	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