BDBM50149427 2-methyl-4-[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]-1,3-oxazole::CHEMBL123530

SMILES: Cc1nc(co1)-c1nnc2c3C4CCC(CC4)c3c(OCc3cccc(C)n3)nn12

InChI Key: InChIKey=MGVMCBAQXDZWTN-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 = 50149427   

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))	BDBM50149427 (2-methyl-4-[9-(6-methyl-2-pyridylmethoxy)-4,5,7,8-...) Show SMILES Cc1nc(co1)-c1nnc2c3C4CCC(CC4)c3c(OCc3cccc(C)n3)nn12 |(5.16,.46,;4.14,1.6,;2.61,1.44,;1.98,2.85,;3.13,3.89,;4.46,3.1,;.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,;-2,-.21,;-2,-1.73,;-.65,-2.5,;-.65,-4.04,;-1.98,-4.81,;-1.98,-6.35,;-.65,-7.12,;.68,-6.35,;2.03,-7.1,;.68,-4.81,;-.65,.58,;-.67,2.12,)| Show InChI InChI=1S/C22H22N6O2/c1-12-4-3-5-16(23-12)10-30-22-19-15-8-6-14(7-9-15)18(19)21-26-25-20(28(21)27-22)17-11-29-13(2)24-17/h3-5,11,14-15H,6-10H2,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.80	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))	BDBM50149427 (2-methyl-4-[9-(6-methyl-2-pyridylmethoxy)-4,5,7,8-...) Show SMILES Cc1nc(co1)-c1nnc2c3C4CCC(CC4)c3c(OCc3cccc(C)n3)nn12 |(5.16,.46,;4.14,1.6,;2.61,1.44,;1.98,2.85,;3.13,3.89,;4.46,3.1,;.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,;-2,-.21,;-2,-1.73,;-.65,-2.5,;-.65,-4.04,;-1.98,-4.81,;-1.98,-6.35,;-.65,-7.12,;.68,-6.35,;2.03,-7.1,;.68,-4.81,;-.65,.58,;-.67,2.12,)| Show InChI InChI=1S/C22H22N6O2/c1-12-4-3-5-16(23-12)10-30-22-19-15-8-6-14(7-9-15)18(19)21-26-25-20(28(21)27-22)17-11-29-13(2)24-17/h3-5,11,14-15H,6-10H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	46	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))	BDBM50149427 (2-methyl-4-[9-(6-methyl-2-pyridylmethoxy)-4,5,7,8-...) Show SMILES Cc1nc(co1)-c1nnc2c3C4CCC(CC4)c3c(OCc3cccc(C)n3)nn12 |(5.16,.46,;4.14,1.6,;2.61,1.44,;1.98,2.85,;3.13,3.89,;4.46,3.1,;.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,;-2,-.21,;-2,-1.73,;-.65,-2.5,;-.65,-4.04,;-1.98,-4.81,;-1.98,-6.35,;-.65,-7.12,;.68,-6.35,;2.03,-7.1,;.68,-4.81,;-.65,.58,;-.67,2.12,)| Show InChI InChI=1S/C22H22N6O2/c1-12-4-3-5-16(23-12)10-30-22-19-15-8-6-14(7-9-15)18(19)21-26-25-20(28(21)27-22)17-11-29-13(2)24-17/h3-5,11,14-15H,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	57	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))	BDBM50149427 (2-methyl-4-[9-(6-methyl-2-pyridylmethoxy)-4,5,7,8-...) Show SMILES Cc1nc(co1)-c1nnc2c3C4CCC(CC4)c3c(OCc3cccc(C)n3)nn12 |(5.16,.46,;4.14,1.6,;2.61,1.44,;1.98,2.85,;3.13,3.89,;4.46,3.1,;.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,;-2,-.21,;-2,-1.73,;-.65,-2.5,;-.65,-4.04,;-1.98,-4.81,;-1.98,-6.35,;-.65,-7.12,;.68,-6.35,;2.03,-7.1,;.68,-4.81,;-.65,.58,;-.67,2.12,)| Show InChI InChI=1S/C22H22N6O2/c1-12-4-3-5-16(23-12)10-30-22-19-15-8-6-14(7-9-15)18(19)21-26-25-20(28(21)27-22)17-11-29-13(2)24-17/h3-5,11,14-15H,6-10H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	280	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