BDBM50149432 1H-2-imidazolyl[6-(3-methyl-1,2,4-oxadiazol-5-yl)-4,5,7,8-tetraazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-9-yloxy]methane::CHEMBL334246

SMILES: Cc1noc(n1)-c1nnc2c3C4CCC(CC4)c3c(OCc3ncc[nH]3)nn12

InChI Key: InChIKey=XMLLCLHYZOZSEG-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 = 50149432   

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))	BDBM50149432 (1H-2-imidazolyl[6-(3-methyl-1,2,4-oxadiazol-5-yl)-...) Show SMILES Cc1noc(n1)-c1nnc2c3C4CCC(CC4)c3c(OCc3ncc[nH]3)nn12 |(8.97,3.57,;7.56,2.94,;7.24,1.44,;5.7,1.28,;5.07,2.68,;6.21,3.71,;3.58,3,;2.95,4.43,;1.41,4.26,;1.08,2.75,;-.25,1.95,;-1.59,2.72,;-2.09,1.52,;-1.3,.72,;-1.59,-.37,;-2.92,.4,;-2.92,1.94,;-.25,.39,;1.1,-.37,;1.1,-1.9,;2.43,-2.67,;2.43,-4.21,;1.2,-5.12,;1.69,-6.59,;3.23,-6.58,;3.69,-5.12,;2.43,.41,;2.43,1.96,)| Show InChI InChI=1S/C18H18N8O2/c1-9-21-18(28-25-9)16-23-22-15-13-10-2-4-11(5-3-10)14(13)17(24-26(15)16)27-8-12-19-6-7-20-12/h6-7,10-11H,2-5,8H2,1H3,(H,19,20)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.80	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))	BDBM50149432 (1H-2-imidazolyl[6-(3-methyl-1,2,4-oxadiazol-5-yl)-...) Show SMILES Cc1noc(n1)-c1nnc2c3C4CCC(CC4)c3c(OCc3ncc[nH]3)nn12 |(8.97,3.57,;7.56,2.94,;7.24,1.44,;5.7,1.28,;5.07,2.68,;6.21,3.71,;3.58,3,;2.95,4.43,;1.41,4.26,;1.08,2.75,;-.25,1.95,;-1.59,2.72,;-2.09,1.52,;-1.3,.72,;-1.59,-.37,;-2.92,.4,;-2.92,1.94,;-.25,.39,;1.1,-.37,;1.1,-1.9,;2.43,-2.67,;2.43,-4.21,;1.2,-5.12,;1.69,-6.59,;3.23,-6.58,;3.69,-5.12,;2.43,.41,;2.43,1.96,)| Show InChI InChI=1S/C18H18N8O2/c1-9-21-18(28-25-9)16-23-22-15-13-10-2-4-11(5-3-10)14(13)17(24-26(15)16)27-8-12-19-6-7-20-12/h6-7,10-11H,2-5,8H2,1H3,(H,19,20)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	19.4	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 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))	BDBM50149432 (1H-2-imidazolyl[6-(3-methyl-1,2,4-oxadiazol-5-yl)-...) Show SMILES Cc1noc(n1)-c1nnc2c3C4CCC(CC4)c3c(OCc3ncc[nH]3)nn12 |(8.97,3.57,;7.56,2.94,;7.24,1.44,;5.7,1.28,;5.07,2.68,;6.21,3.71,;3.58,3,;2.95,4.43,;1.41,4.26,;1.08,2.75,;-.25,1.95,;-1.59,2.72,;-2.09,1.52,;-1.3,.72,;-1.59,-.37,;-2.92,.4,;-2.92,1.94,;-.25,.39,;1.1,-.37,;1.1,-1.9,;2.43,-2.67,;2.43,-4.21,;1.2,-5.12,;1.69,-6.59,;3.23,-6.58,;3.69,-5.12,;2.43,.41,;2.43,1.96,)| Show InChI InChI=1S/C18H18N8O2/c1-9-21-18(28-25-9)16-23-22-15-13-10-2-4-11(5-3-10)14(13)17(24-26(15)16)27-8-12-19-6-7-20-12/h6-7,10-11H,2-5,8H2,1H3,(H,19,20)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	35.9	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))	BDBM50149432 (1H-2-imidazolyl[6-(3-methyl-1,2,4-oxadiazol-5-yl)-...) Show SMILES Cc1noc(n1)-c1nnc2c3C4CCC(CC4)c3c(OCc3ncc[nH]3)nn12 |(8.97,3.57,;7.56,2.94,;7.24,1.44,;5.7,1.28,;5.07,2.68,;6.21,3.71,;3.58,3,;2.95,4.43,;1.41,4.26,;1.08,2.75,;-.25,1.95,;-1.59,2.72,;-2.09,1.52,;-1.3,.72,;-1.59,-.37,;-2.92,.4,;-2.92,1.94,;-.25,.39,;1.1,-.37,;1.1,-1.9,;2.43,-2.67,;2.43,-4.21,;1.2,-5.12,;1.69,-6.59,;3.23,-6.58,;3.69,-5.12,;2.43,.41,;2.43,1.96,)| Show InChI InChI=1S/C18H18N8O2/c1-9-21-18(28-25-9)16-23-22-15-13-10-2-4-11(5-3-10)14(13)17(24-26(15)16)27-8-12-19-6-7-20-12/h6-7,10-11H,2-5,8H2,1H3,(H,19,20)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	159	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