BDBM50162207 3,5-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::CHEMBL178677

SMILES: Cc1cnc(COc2nn3c(nnc3c3C4CCC(CC4)c23)-c2ccccc2)c(C)c1

InChI Key: InChIKey=YWVNAIWRDXBOOS-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 = 50162207   

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))	BDBM50162207 (3,5-dimethyl-2-pyridyl 6-phenyl-4,5,7,8-tetraazate...) Show SMILES Cc1cnc(COc2nn3c(nnc3c3C4CCC(CC4)c23)-c2ccccc2)c(C)c1 |(.42,-8.41,;.42,-6.87,;1.75,-6.1,;1.74,-4.56,;.42,-3.81,;.42,-2.27,;-.9,-1.5,;-.9,.04,;.4,.79,;.4,2.35,;1.57,3.4,;.94,4.76,;-.58,4.6,;-.9,3.11,;-2.24,2.33,;-3.59,3.03,;-2.94,1.58,;-4.52,1.58,;-3.56,.02,;-4.9,.79,;-4.9,2.33,;-2.24,.79,;3.09,3.1,;3.58,1.65,;5.09,1.35,;6.1,2.51,;5.6,3.96,;4.09,4.26,;-.9,-4.56,;-2.24,-3.81,;-.9,-6.1,)| Show InChI InChI=1S/C25H25N5O/c1-15-12-16(2)20(26-13-15)14-31-25-22-18-10-8-17(9-11-18)21(22)24-28-27-23(30(24)29-25)19-6-4-3-5-7-19/h3-7,12-13,17-18H,8-11,14H2,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	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))	BDBM50162207 (3,5-dimethyl-2-pyridyl 6-phenyl-4,5,7,8-tetraazate...) Show SMILES Cc1cnc(COc2nn3c(nnc3c3C4CCC(CC4)c23)-c2ccccc2)c(C)c1 |(.42,-8.41,;.42,-6.87,;1.75,-6.1,;1.74,-4.56,;.42,-3.81,;.42,-2.27,;-.9,-1.5,;-.9,.04,;.4,.79,;.4,2.35,;1.57,3.4,;.94,4.76,;-.58,4.6,;-.9,3.11,;-2.24,2.33,;-3.59,3.03,;-2.94,1.58,;-4.52,1.58,;-3.56,.02,;-4.9,.79,;-4.9,2.33,;-2.24,.79,;3.09,3.1,;3.58,1.65,;5.09,1.35,;6.1,2.51,;5.6,3.96,;4.09,4.26,;-.9,-4.56,;-2.24,-3.81,;-.9,-6.1,)| Show InChI InChI=1S/C25H25N5O/c1-15-12-16(2)20(26-13-15)14-31-25-22-18-10-8-17(9-11-18)21(22)24-28-27-23(30(24)29-25)19-6-4-3-5-7-19/h3-7,12-13,17-18H,8-11,14H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.710	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-1/beta-3/gamma-2 subunit (Homo sapiens (Human))	BDBM50162207 (3,5-dimethyl-2-pyridyl 6-phenyl-4,5,7,8-tetraazate...) Show SMILES Cc1cnc(COc2nn3c(nnc3c3C4CCC(CC4)c23)-c2ccccc2)c(C)c1 |(.42,-8.41,;.42,-6.87,;1.75,-6.1,;1.74,-4.56,;.42,-3.81,;.42,-2.27,;-.9,-1.5,;-.9,.04,;.4,.79,;.4,2.35,;1.57,3.4,;.94,4.76,;-.58,4.6,;-.9,3.11,;-2.24,2.33,;-3.59,3.03,;-2.94,1.58,;-4.52,1.58,;-3.56,.02,;-4.9,.79,;-4.9,2.33,;-2.24,.79,;3.09,3.1,;3.58,1.65,;5.09,1.35,;6.1,2.51,;5.6,3.96,;4.09,4.26,;-.9,-4.56,;-2.24,-3.81,;-.9,-6.1,)| Show InChI InChI=1S/C25H25N5O/c1-15-12-16(2)20(26-13-15)14-31-25-22-18-10-8-17(9-11-18)21(22)24-28-27-23(30(24)29-25)19-6-4-3-5-7-19/h3-7,12-13,17-18H,8-11,14H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.40	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
GABA receptor alpha-2/beta-3/gamma-2 subunit (Homo sapiens (Human))	BDBM50162207 (3,5-dimethyl-2-pyridyl 6-phenyl-4,5,7,8-tetraazate...) Show SMILES Cc1cnc(COc2nn3c(nnc3c3C4CCC(CC4)c23)-c2ccccc2)c(C)c1 |(.42,-8.41,;.42,-6.87,;1.75,-6.1,;1.74,-4.56,;.42,-3.81,;.42,-2.27,;-.9,-1.5,;-.9,.04,;.4,.79,;.4,2.35,;1.57,3.4,;.94,4.76,;-.58,4.6,;-.9,3.11,;-2.24,2.33,;-3.59,3.03,;-2.94,1.58,;-4.52,1.58,;-3.56,.02,;-4.9,.79,;-4.9,2.33,;-2.24,.79,;3.09,3.1,;3.58,1.65,;5.09,1.35,;6.1,2.51,;5.6,3.96,;4.09,4.26,;-.9,-4.56,;-2.24,-3.81,;-.9,-6.1,)| Show InChI InChI=1S/C25H25N5O/c1-15-12-16(2)20(26-13-15)14-31-25-22-18-10-8-17(9-11-18)21(22)24-28-27-23(30(24)29-25)19-6-4-3-5-7-19/h3-7,12-13,17-18H,8-11,14H2,1-2H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.40	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