BDBM50149418 6-methyl-2-pyridyl[6-(2-pyrazinyl)-4,5,7,8-tetraazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-9-yloxy]methane::CHEMBL121603

SMILES: Cc1cccc(COc2nn3c(nnc3c3C4CCC(CC4)c23)-c2cnccn2)n1

InChI Key: InChIKey=ICYHTUKXCNYVRM-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 = 50149418   

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))	BDBM50149418 (6-methyl-2-pyridyl[6-(2-pyrazinyl)-4,5,7,8-tetraaz...) Show SMILES Cc1cccc(COc2nn3c(nnc3c3C4CCC(CC4)c23)-c2cnccn2)n1 |(2.03,-7.1,;.68,-6.35,;-.65,-7.12,;-1.98,-6.35,;-1.98,-4.81,;-.65,-4.04,;-.65,-2.5,;-2,-1.73,;-2,-.21,;-.65,.58,;-.67,2.12,;.49,3.17,;-.16,4.59,;-1.7,4.43,;-2.02,2.91,;-3.35,2.12,;-4.68,2.89,;-5.2,1.68,;-4.39,.88,;-4.68,-.21,;-6.01,.56,;-6.01,2.1,;-3.34,.55,;1.98,2.85,;2.45,1.39,;3.94,1.07,;4.97,2.22,;4.49,3.68,;2.99,3.98,;.68,-4.81,)| Show InChI InChI=1S/C22H21N7O/c1-13-3-2-4-16(25-13)12-30-22-19-15-7-5-14(6-8-15)18(19)21-27-26-20(29(21)28-22)17-11-23-9-10-24-17/h2-4,9-11,14-15H,5-8,12H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.80	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))	BDBM50149418 (6-methyl-2-pyridyl[6-(2-pyrazinyl)-4,5,7,8-tetraaz...) Show SMILES Cc1cccc(COc2nn3c(nnc3c3C4CCC(CC4)c23)-c2cnccn2)n1 |(2.03,-7.1,;.68,-6.35,;-.65,-7.12,;-1.98,-6.35,;-1.98,-4.81,;-.65,-4.04,;-.65,-2.5,;-2,-1.73,;-2,-.21,;-.65,.58,;-.67,2.12,;.49,3.17,;-.16,4.59,;-1.7,4.43,;-2.02,2.91,;-3.35,2.12,;-4.68,2.89,;-5.2,1.68,;-4.39,.88,;-4.68,-.21,;-6.01,.56,;-6.01,2.1,;-3.34,.55,;1.98,2.85,;2.45,1.39,;3.94,1.07,;4.97,2.22,;4.49,3.68,;2.99,3.98,;.68,-4.81,)| Show InChI InChI=1S/C22H21N7O/c1-13-3-2-4-16(25-13)12-30-22-19-15-7-5-14(6-8-15)18(19)21-27-26-20(29(21)28-22)17-11-23-9-10-24-17/h2-4,9-11,14-15H,5-8,12H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	10.6	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))	BDBM50149418 (6-methyl-2-pyridyl[6-(2-pyrazinyl)-4,5,7,8-tetraaz...) Show SMILES Cc1cccc(COc2nn3c(nnc3c3C4CCC(CC4)c23)-c2cnccn2)n1 |(2.03,-7.1,;.68,-6.35,;-.65,-7.12,;-1.98,-6.35,;-1.98,-4.81,;-.65,-4.04,;-.65,-2.5,;-2,-1.73,;-2,-.21,;-.65,.58,;-.67,2.12,;.49,3.17,;-.16,4.59,;-1.7,4.43,;-2.02,2.91,;-3.35,2.12,;-4.68,2.89,;-5.2,1.68,;-4.39,.88,;-4.68,-.21,;-6.01,.56,;-6.01,2.1,;-3.34,.55,;1.98,2.85,;2.45,1.39,;3.94,1.07,;4.97,2.22,;4.49,3.68,;2.99,3.98,;.68,-4.81,)| Show InChI InChI=1S/C22H21N7O/c1-13-3-2-4-16(25-13)12-30-22-19-15-7-5-14(6-8-15)18(19)21-27-26-20(29(21)28-22)17-11-23-9-10-24-17/h2-4,9-11,14-15H,5-8,12H2,1H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	28.4	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))	BDBM50149418 (6-methyl-2-pyridyl[6-(2-pyrazinyl)-4,5,7,8-tetraaz...) Show SMILES Cc1cccc(COc2nn3c(nnc3c3C4CCC(CC4)c23)-c2cnccn2)n1 |(2.03,-7.1,;.68,-6.35,;-.65,-7.12,;-1.98,-6.35,;-1.98,-4.81,;-.65,-4.04,;-.65,-2.5,;-2,-1.73,;-2,-.21,;-.65,.58,;-.67,2.12,;.49,3.17,;-.16,4.59,;-1.7,4.43,;-2.02,2.91,;-3.35,2.12,;-4.68,2.89,;-5.2,1.68,;-4.39,.88,;-4.68,-.21,;-6.01,.56,;-6.01,2.1,;-3.34,.55,;1.98,2.85,;2.45,1.39,;3.94,1.07,;4.97,2.22,;4.49,3.68,;2.99,3.98,;.68,-4.81,)| Show InChI InChI=1S/C22H21N7O/c1-13-3-2-4-16(25-13)12-30-22-19-15-7-5-14(6-8-15)18(19)21-27-26-20(29(21)28-22)17-11-23-9-10-24-17/h2-4,9-11,14-15H,5-8,12H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	84	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