BDBM50144864 6-methyl-2-pyridyl[6-(3-thienyl)-4,5,7,8-tetraazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-9-yloxy]methane::CHEMBL307230

SMILES: Cc1cccc(COc2nn3c(nnc3c3C4CCC(CC4)c23)-c2ccsc2)n1

InChI Key: InChIKey=YANZZUJLDNPDPI-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 = 50144864   

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))	BDBM50144864 (6-methyl-2-pyridyl[6-(3-thienyl)-4,5,7,8-tetraazat...) Show SMILES Cc1cccc(COc2nn3c(nnc3c3C4CCC(CC4)c23)-c2ccsc2)n1 |(3.66,-17.2,;2.32,-16.43,;.99,-17.22,;-.34,-16.45,;-.34,-14.91,;.99,-14.15,;.99,-12.61,;-.34,-11.84,;-.34,-10.3,;.99,-9.53,;.99,-7.99,;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,;3.65,-7.26,;4.28,-8.66,;5.81,-8.5,;6.12,-6.98,;4.79,-6.23,;2.32,-14.91,)| Show InChI InChI=1S/C22H21N5OS/c1-13-3-2-4-17(23-13)11-28-22-19-15-7-5-14(6-8-15)18(19)21-25-24-20(27(21)26-22)16-9-10-29-12-16/h2-4,9-10,12,14-15H,5-8,11H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.70	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))	BDBM50144864 (6-methyl-2-pyridyl[6-(3-thienyl)-4,5,7,8-tetraazat...) Show SMILES Cc1cccc(COc2nn3c(nnc3c3C4CCC(CC4)c23)-c2ccsc2)n1 |(3.66,-17.2,;2.32,-16.43,;.99,-17.22,;-.34,-16.45,;-.34,-14.91,;.99,-14.15,;.99,-12.61,;-.34,-11.84,;-.34,-10.3,;.99,-9.53,;.99,-7.99,;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,;3.65,-7.26,;4.28,-8.66,;5.81,-8.5,;6.12,-6.98,;4.79,-6.23,;2.32,-14.91,)| Show InChI InChI=1S/C22H21N5OS/c1-13-3-2-4-17(23-13)11-28-22-19-15-7-5-14(6-8-15)18(19)21-25-24-20(27(21)26-22)16-9-10-29-12-16/h2-4,9-10,12,14-15H,5-8,11H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.70	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))	BDBM50144864 (6-methyl-2-pyridyl[6-(3-thienyl)-4,5,7,8-tetraazat...) Show SMILES Cc1cccc(COc2nn3c(nnc3c3C4CCC(CC4)c23)-c2ccsc2)n1 |(3.66,-17.2,;2.32,-16.43,;.99,-17.22,;-.34,-16.45,;-.34,-14.91,;.99,-14.15,;.99,-12.61,;-.34,-11.84,;-.34,-10.3,;.99,-9.53,;.99,-7.99,;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,;3.65,-7.26,;4.28,-8.66,;5.81,-8.5,;6.12,-6.98,;4.79,-6.23,;2.32,-14.91,)| Show InChI InChI=1S/C22H21N5OS/c1-13-3-2-4-17(23-13)11-28-22-19-15-7-5-14(6-8-15)18(19)21-25-24-20(27(21)26-22)16-9-10-29-12-16/h2-4,9-10,12,14-15H,5-8,11H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	48	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))	BDBM50144864 (6-methyl-2-pyridyl[6-(3-thienyl)-4,5,7,8-tetraazat...) Show SMILES Cc1cccc(COc2nn3c(nnc3c3C4CCC(CC4)c23)-c2ccsc2)n1 |(3.66,-17.2,;2.32,-16.43,;.99,-17.22,;-.34,-16.45,;-.34,-14.91,;.99,-14.15,;.99,-12.61,;-.34,-11.84,;-.34,-10.3,;.99,-9.53,;.99,-7.99,;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,;3.65,-7.26,;4.28,-8.66,;5.81,-8.5,;6.12,-6.98,;4.79,-6.23,;2.32,-14.91,)| Show InChI InChI=1S/C22H21N5OS/c1-13-3-2-4-17(23-13)11-28-22-19-15-7-5-14(6-8-15)18(19)21-25-24-20(27(21)26-22)16-9-10-29-12-16/h2-4,9-10,12,14-15H,5-8,11H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	48	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))	BDBM50144864 (6-methyl-2-pyridyl[6-(3-thienyl)-4,5,7,8-tetraazat...) Show SMILES Cc1cccc(COc2nn3c(nnc3c3C4CCC(CC4)c23)-c2ccsc2)n1 |(3.66,-17.2,;2.32,-16.43,;.99,-17.22,;-.34,-16.45,;-.34,-14.91,;.99,-14.15,;.99,-12.61,;-.34,-11.84,;-.34,-10.3,;.99,-9.53,;.99,-7.99,;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,;3.65,-7.26,;4.28,-8.66,;5.81,-8.5,;6.12,-6.98,;4.79,-6.23,;2.32,-14.91,)| Show InChI InChI=1S/C22H21N5OS/c1-13-3-2-4-17(23-13)11-28-22-19-15-7-5-14(6-8-15)18(19)21-25-24-20(27(21)26-22)16-9-10-29-12-16/h2-4,9-10,12,14-15H,5-8,11H2,1H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	110	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-2/beta-3/gamma-2 subunit (Homo sapiens (Human))	BDBM50144864 (6-methyl-2-pyridyl[6-(3-thienyl)-4,5,7,8-tetraazat...) Show SMILES Cc1cccc(COc2nn3c(nnc3c3C4CCC(CC4)c23)-c2ccsc2)n1 |(3.66,-17.2,;2.32,-16.43,;.99,-17.22,;-.34,-16.45,;-.34,-14.91,;.99,-14.15,;.99,-12.61,;-.34,-11.84,;-.34,-10.3,;.99,-9.53,;.99,-7.99,;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,;3.65,-7.26,;4.28,-8.66,;5.81,-8.5,;6.12,-6.98,;4.79,-6.23,;2.32,-14.91,)| Show InChI InChI=1S/C22H21N5OS/c1-13-3-2-4-17(23-13)11-28-22-19-15-7-5-14(6-8-15)18(19)21-25-24-20(27(21)26-22)16-9-10-29-12-16/h2-4,9-10,12,14-15H,5-8,11H2,1H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	110	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-1/beta-3/gamma-2 subunit (Homo sapiens (Human))	BDBM50144864 (6-methyl-2-pyridyl[6-(3-thienyl)-4,5,7,8-tetraazat...) Show SMILES Cc1cccc(COc2nn3c(nnc3c3C4CCC(CC4)c23)-c2ccsc2)n1 |(3.66,-17.2,;2.32,-16.43,;.99,-17.22,;-.34,-16.45,;-.34,-14.91,;.99,-14.15,;.99,-12.61,;-.34,-11.84,;-.34,-10.3,;.99,-9.53,;.99,-7.99,;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,;3.65,-7.26,;4.28,-8.66,;5.81,-8.5,;6.12,-6.98,;4.79,-6.23,;2.32,-14.91,)| Show InChI InChI=1S/C22H21N5OS/c1-13-3-2-4-17(23-13)11-28-22-19-15-7-5-14(6-8-15)18(19)21-25-24-20(27(21)26-22)16-9-10-29-12-16/h2-4,9-10,12,14-15H,5-8,11H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	270	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
GABA receptor alpha-1/beta-3/gamma-2 subunit (Homo sapiens (Human))	BDBM50144864 (6-methyl-2-pyridyl[6-(3-thienyl)-4,5,7,8-tetraazat...) Show SMILES Cc1cccc(COc2nn3c(nnc3c3C4CCC(CC4)c23)-c2ccsc2)n1 |(3.66,-17.2,;2.32,-16.43,;.99,-17.22,;-.34,-16.45,;-.34,-14.91,;.99,-14.15,;.99,-12.61,;-.34,-11.84,;-.34,-10.3,;.99,-9.53,;.99,-7.99,;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,;3.65,-7.26,;4.28,-8.66,;5.81,-8.5,;6.12,-6.98,;4.79,-6.23,;2.32,-14.91,)| Show InChI InChI=1S/C22H21N5OS/c1-13-3-2-4-17(23-13)11-28-22-19-15-7-5-14(6-8-15)18(19)21-25-24-20(27(21)26-22)16-9-10-29-12-16/h2-4,9-10,12,14-15H,5-8,11H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	270	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