BDBM50144865 3-methyl-5-[9-(6-methyl-2-pyridylmethoxy)-4,5,7,8-tetraazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-6-yl]-1,2,4-oxadiazole::CHEMBL305068

SMILES: Cc1noc(n1)-c1nnc2c3C4CCC(CC4)c3c(OCc3cccc(C)n3)nn12

InChI Key: InChIKey=OIKCREAGTIJWOO-UHFFFAOYSA-N

Data: 8 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 8 hits for monomerid = 50144865   

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))	BDBM50144865 (3-methyl-5-[9-(6-methyl-2-pyridylmethoxy)-4,5,7,8-...) Show SMILES Cc1noc(n1)-c1nnc2c3C4CCC(CC4)c3c(OCc3cccc(C)n3)nn12 |(6.84,-9.64,;5.81,-8.5,;6.12,-6.98,;4.79,-6.23,;3.65,-7.26,;4.28,-8.66,;2.13,-6.94,;1.5,-5.54,;-.02,-5.7,;-.34,-7.22,;-1.67,-7.99,;-3,-7.22,;-3.78,-8.55,;-2.24,-8.96,;-3,-10.3,;-4.33,-9.53,;-4.33,-7.99,;-1.67,-9.53,;-.34,-10.3,;-.34,-11.84,;.99,-12.61,;.99,-14.15,;-.34,-14.91,;-.34,-16.45,;.99,-17.22,;2.32,-16.43,;3.66,-17.2,;2.32,-14.91,;.99,-9.53,;.99,-7.99,)| Show InChI InChI=1S/C21H21N7O2/c1-11-4-3-5-15(22-11)10-29-20-17-14-8-6-13(7-9-14)16(17)18-24-25-19(28(18)26-20)21-23-12(2)27-30-21/h3-5,13-14H,6-10H2,1-2H3	PDB KEGG 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 and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-Ro- 15-1788 from human GABA-A alpha5-beta3-gamma2 receptor subunits expressed in Xenopus oocytes				J Med Chem 47: 2176-9 (2004) Article DOI: 10.1021/jm031076j BindingDB Entry DOI: 10.7270/Q2ST7P90
					More data for this Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit (Homo sapiens (Human))	BDBM50144865 (3-methyl-5-[9-(6-methyl-2-pyridylmethoxy)-4,5,7,8-...) Show SMILES Cc1noc(n1)-c1nnc2c3C4CCC(CC4)c3c(OCc3cccc(C)n3)nn12 |(6.84,-9.64,;5.81,-8.5,;6.12,-6.98,;4.79,-6.23,;3.65,-7.26,;4.28,-8.66,;2.13,-6.94,;1.5,-5.54,;-.02,-5.7,;-.34,-7.22,;-1.67,-7.99,;-3,-7.22,;-3.78,-8.55,;-2.24,-8.96,;-3,-10.3,;-4.33,-9.53,;-4.33,-7.99,;-1.67,-9.53,;-.34,-10.3,;-.34,-11.84,;.99,-12.61,;.99,-14.15,;-.34,-14.91,;-.34,-16.45,;.99,-17.22,;2.32,-16.43,;3.66,-17.2,;2.32,-14.91,;.99,-9.53,;.99,-7.99,)| Show InChI InChI=1S/C21H21N7O2/c1-11-4-3-5-15(22-11)10-29-20-17-14-8-6-13(7-9-14)16(17)18-24-25-19(28(18)26-20)21-23-12(2)27-30-21/h3-5,13-14H,6-10H2,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards human alpha5-beta3-gamma2 GABA-A receptor using [3H]-Ro-15-1788 expressed in L(tk-) cells				J Med Chem 47: 3642-57 (2004) Article DOI: 10.1021/jm0407613 BindingDB Entry DOI: 10.7270/Q2RB7423
					More data for this Ligand-Target Pair
GABA receptor alpha-3/beta-3/gamma-2 subunit (Homo sapiens (Human))	BDBM50144865 (3-methyl-5-[9-(6-methyl-2-pyridylmethoxy)-4,5,7,8-...) Show SMILES Cc1noc(n1)-c1nnc2c3C4CCC(CC4)c3c(OCc3cccc(C)n3)nn12 |(6.84,-9.64,;5.81,-8.5,;6.12,-6.98,;4.79,-6.23,;3.65,-7.26,;4.28,-8.66,;2.13,-6.94,;1.5,-5.54,;-.02,-5.7,;-.34,-7.22,;-1.67,-7.99,;-3,-7.22,;-3.78,-8.55,;-2.24,-8.96,;-3,-10.3,;-4.33,-9.53,;-4.33,-7.99,;-1.67,-9.53,;-.34,-10.3,;-.34,-11.84,;.99,-12.61,;.99,-14.15,;-.34,-14.91,;-.34,-16.45,;.99,-17.22,;2.32,-16.43,;3.66,-17.2,;2.32,-14.91,;.99,-9.53,;.99,-7.99,)| Show InChI InChI=1S/C21H21N7O2/c1-11-4-3-5-15(22-11)10-29-20-17-14-8-6-13(7-9-14)16(17)18-24-25-19(28(18)26-20)21-23-12(2)27-30-21/h3-5,13-14H,6-10H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-Ro- 15-1788 from human GABA-A alpha3-beta3-gamma2 receptor subunits expressed in Xenopus oocytes				J Med Chem 47: 2176-9 (2004) Article DOI: 10.1021/jm031076j BindingDB Entry DOI: 10.7270/Q2ST7P90
					More data for this Ligand-Target Pair
GABA receptor alpha-3/beta-3/gamma-2 subunit (Homo sapiens (Human))	BDBM50144865 (3-methyl-5-[9-(6-methyl-2-pyridylmethoxy)-4,5,7,8-...) Show SMILES Cc1noc(n1)-c1nnc2c3C4CCC(CC4)c3c(OCc3cccc(C)n3)nn12 |(6.84,-9.64,;5.81,-8.5,;6.12,-6.98,;4.79,-6.23,;3.65,-7.26,;4.28,-8.66,;2.13,-6.94,;1.5,-5.54,;-.02,-5.7,;-.34,-7.22,;-1.67,-7.99,;-3,-7.22,;-3.78,-8.55,;-2.24,-8.96,;-3,-10.3,;-4.33,-9.53,;-4.33,-7.99,;-1.67,-9.53,;-.34,-10.3,;-.34,-11.84,;.99,-12.61,;.99,-14.15,;-.34,-14.91,;-.34,-16.45,;.99,-17.22,;2.32,-16.43,;3.66,-17.2,;2.32,-14.91,;.99,-9.53,;.99,-7.99,)| Show InChI InChI=1S/C21H21N7O2/c1-11-4-3-5-15(22-11)10-29-20-17-14-8-6-13(7-9-14)16(17)18-24-25-19(28(18)26-20)21-23-12(2)27-30-21/h3-5,13-14H,6-10H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards human gamma-aminobutyric-acid A receptor alpha3-beta3-gamma2 using [3H]-Ro-15-1788 expressed in L(tk-) cells				J Med Chem 47: 3642-57 (2004) Article DOI: 10.1021/jm0407613 BindingDB Entry DOI: 10.7270/Q2RB7423
					More data for this Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit (Homo sapiens (Human))	BDBM50144865 (3-methyl-5-[9-(6-methyl-2-pyridylmethoxy)-4,5,7,8-...) Show SMILES Cc1noc(n1)-c1nnc2c3C4CCC(CC4)c3c(OCc3cccc(C)n3)nn12 |(6.84,-9.64,;5.81,-8.5,;6.12,-6.98,;4.79,-6.23,;3.65,-7.26,;4.28,-8.66,;2.13,-6.94,;1.5,-5.54,;-.02,-5.7,;-.34,-7.22,;-1.67,-7.99,;-3,-7.22,;-3.78,-8.55,;-2.24,-8.96,;-3,-10.3,;-4.33,-9.53,;-4.33,-7.99,;-1.67,-9.53,;-.34,-10.3,;-.34,-11.84,;.99,-12.61,;.99,-14.15,;-.34,-14.91,;-.34,-16.45,;.99,-17.22,;2.32,-16.43,;3.66,-17.2,;2.32,-14.91,;.99,-9.53,;.99,-7.99,)| Show InChI InChI=1S/C21H21N7O2/c1-11-4-3-5-15(22-11)10-29-20-17-14-8-6-13(7-9-14)16(17)18-24-25-19(28(18)26-20)21-23-12(2)27-30-21/h3-5,13-14H,6-10H2,1-2H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	16.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards human gamma-aminobutyric-acid A receptor alpha2-beta3-gamma2 using [3H]-Ro-15-1788 expressed in L(tk-) cells				J Med Chem 47: 3642-57 (2004) Article DOI: 10.1021/jm0407613 BindingDB Entry DOI: 10.7270/Q2RB7423
					More data for this Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit (Homo sapiens (Human))	BDBM50144865 (3-methyl-5-[9-(6-methyl-2-pyridylmethoxy)-4,5,7,8-...) Show SMILES Cc1noc(n1)-c1nnc2c3C4CCC(CC4)c3c(OCc3cccc(C)n3)nn12 |(6.84,-9.64,;5.81,-8.5,;6.12,-6.98,;4.79,-6.23,;3.65,-7.26,;4.28,-8.66,;2.13,-6.94,;1.5,-5.54,;-.02,-5.7,;-.34,-7.22,;-1.67,-7.99,;-3,-7.22,;-3.78,-8.55,;-2.24,-8.96,;-3,-10.3,;-4.33,-9.53,;-4.33,-7.99,;-1.67,-9.53,;-.34,-10.3,;-.34,-11.84,;.99,-12.61,;.99,-14.15,;-.34,-14.91,;-.34,-16.45,;.99,-17.22,;2.32,-16.43,;3.66,-17.2,;2.32,-14.91,;.99,-9.53,;.99,-7.99,)| Show InChI InChI=1S/C21H21N7O2/c1-11-4-3-5-15(22-11)10-29-20-17-14-8-6-13(7-9-14)16(17)18-24-25-19(28(18)26-20)21-23-12(2)27-30-21/h3-5,13-14H,6-10H2,1-2H3	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 and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-Ro- 15-1788 from human GABA-A alpha2-beta3-gamma2 receptor subunits expressed in Xenopus oocytes				J Med Chem 47: 2176-9 (2004) Article DOI: 10.1021/jm031076j BindingDB Entry DOI: 10.7270/Q2ST7P90
					More data for this Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit (Homo sapiens (Human))	BDBM50144865 (3-methyl-5-[9-(6-methyl-2-pyridylmethoxy)-4,5,7,8-...) Show SMILES Cc1noc(n1)-c1nnc2c3C4CCC(CC4)c3c(OCc3cccc(C)n3)nn12 |(6.84,-9.64,;5.81,-8.5,;6.12,-6.98,;4.79,-6.23,;3.65,-7.26,;4.28,-8.66,;2.13,-6.94,;1.5,-5.54,;-.02,-5.7,;-.34,-7.22,;-1.67,-7.99,;-3,-7.22,;-3.78,-8.55,;-2.24,-8.96,;-3,-10.3,;-4.33,-9.53,;-4.33,-7.99,;-1.67,-9.53,;-.34,-10.3,;-.34,-11.84,;.99,-12.61,;.99,-14.15,;-.34,-14.91,;-.34,-16.45,;.99,-17.22,;2.32,-16.43,;3.66,-17.2,;2.32,-14.91,;.99,-9.53,;.99,-7.99,)| Show InChI InChI=1S/C21H21N7O2/c1-11-4-3-5-15(22-11)10-29-20-17-14-8-6-13(7-9-14)16(17)18-24-25-19(28(18)26-20)21-23-12(2)27-30-21/h3-5,13-14H,6-10H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	74	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-Ro- 15-1788 from human GABA-A alpha1-beta3-gamma2 receptor subunits expressed in Xenopus oocytes				J Med Chem 47: 2176-9 (2004) Article DOI: 10.1021/jm031076j BindingDB Entry DOI: 10.7270/Q2ST7P90
					More data for this Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit (Homo sapiens (Human))	BDBM50144865 (3-methyl-5-[9-(6-methyl-2-pyridylmethoxy)-4,5,7,8-...) Show SMILES Cc1noc(n1)-c1nnc2c3C4CCC(CC4)c3c(OCc3cccc(C)n3)nn12 |(6.84,-9.64,;5.81,-8.5,;6.12,-6.98,;4.79,-6.23,;3.65,-7.26,;4.28,-8.66,;2.13,-6.94,;1.5,-5.54,;-.02,-5.7,;-.34,-7.22,;-1.67,-7.99,;-3,-7.22,;-3.78,-8.55,;-2.24,-8.96,;-3,-10.3,;-4.33,-9.53,;-4.33,-7.99,;-1.67,-9.53,;-.34,-10.3,;-.34,-11.84,;.99,-12.61,;.99,-14.15,;-.34,-14.91,;-.34,-16.45,;.99,-17.22,;2.32,-16.43,;3.66,-17.2,;2.32,-14.91,;.99,-9.53,;.99,-7.99,)| Show InChI InChI=1S/C21H21N7O2/c1-11-4-3-5-15(22-11)10-29-20-17-14-8-6-13(7-9-14)16(17)18-24-25-19(28(18)26-20)21-23-12(2)27-30-21/h3-5,13-14H,6-10H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	75.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards human alpha1-beta3-gamma2 GABA-A receptor using [3H]-Ro-15-1788 expressed in L(tk-) cells				J Med Chem 47: 3642-57 (2004) Article DOI: 10.1021/jm0407613 BindingDB Entry DOI: 10.7270/Q2RB7423
					More data for this Ligand-Target Pair