BDBM50162257 CHEMBL359906::methyl 2-[6-phenyl-4,5,7,8-tetraazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-9-yloxy]nicotinate

SMILES: COC(=O)c1cccnc1COc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1

InChI Key: InChIKey=AZIRFKLEFANUIC-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 = 50162257   

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))	BDBM50162257 (CHEMBL359906 | methyl 2-[6-phenyl-4,5,7,8-tetraaza...) Show SMILES COC(=O)c1cccnc1COc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1 |(-3.29,-1.49,;-1.95,-2.26,;-1.95,-3.8,;-3.29,-4.57,;-.61,-4.57,;-.61,-6.11,;.72,-6.88,;2.05,-6.11,;2.04,-4.57,;.72,-3.83,;.72,-2.27,;-.61,-1.52,;-.61,.02,;.71,.79,;.71,2.33,;1.87,3.4,;1.24,4.75,;-.28,4.6,;-.61,3.1,;-1.95,2.33,;-3.29,3.01,;-2.64,1.58,;-4.22,1.58,;-3.27,.02,;-4.6,.79,;-4.6,2.33,;-1.95,.79,;3.39,3.1,;4.39,4.26,;5.89,3.96,;6.4,2.51,;5.39,1.33,;3.88,1.65,)| Show InChI InChI=1S/C25H23N5O3/c1-32-25(31)18-8-5-13-26-19(18)14-33-24-21-16-11-9-15(10-12-16)20(21)23-28-27-22(30(23)29-24)17-6-3-2-4-7-17/h2-8,13,15-16H,9-12,14H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibition of [3H]-Ro-15-1788 binding to recombinant human gamma-aminobutyric-acid A receptor alpha5-beta3-gamma2 subtype expressed in L (tk-) cells				J Med Chem 48: 1367-83 (2005) Article DOI: 10.1021/jm040883v BindingDB Entry DOI: 10.7270/Q2ZW1KD2
					More data for this Ligand-Target Pair
GABA receptor alpha-3/beta-3/gamma-2 subunit (Homo sapiens (Human))	BDBM50162257 (CHEMBL359906 | methyl 2-[6-phenyl-4,5,7,8-tetraaza...) Show SMILES COC(=O)c1cccnc1COc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1 |(-3.29,-1.49,;-1.95,-2.26,;-1.95,-3.8,;-3.29,-4.57,;-.61,-4.57,;-.61,-6.11,;.72,-6.88,;2.05,-6.11,;2.04,-4.57,;.72,-3.83,;.72,-2.27,;-.61,-1.52,;-.61,.02,;.71,.79,;.71,2.33,;1.87,3.4,;1.24,4.75,;-.28,4.6,;-.61,3.1,;-1.95,2.33,;-3.29,3.01,;-2.64,1.58,;-4.22,1.58,;-3.27,.02,;-4.6,.79,;-4.6,2.33,;-1.95,.79,;3.39,3.1,;4.39,4.26,;5.89,3.96,;6.4,2.51,;5.39,1.33,;3.88,1.65,)| Show InChI InChI=1S/C25H23N5O3/c1-32-25(31)18-8-5-13-26-19(18)14-33-24-21-16-11-9-15(10-12-16)20(21)23-28-27-22(30(23)29-24)17-6-3-2-4-7-17/h2-8,13,15-16H,9-12,14H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibition of [3H]-Ro-15-1788 binding to recombinant human gamma-aminobutyric-acid A receptor alpha3-beta3-gamma2 subtype expressed in L (tk-) cells				J Med Chem 48: 1367-83 (2005) Article DOI: 10.1021/jm040883v BindingDB Entry DOI: 10.7270/Q2ZW1KD2
					More data for this Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit (Homo sapiens (Human))	BDBM50162257 (CHEMBL359906 | methyl 2-[6-phenyl-4,5,7,8-tetraaza...) Show SMILES COC(=O)c1cccnc1COc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1 |(-3.29,-1.49,;-1.95,-2.26,;-1.95,-3.8,;-3.29,-4.57,;-.61,-4.57,;-.61,-6.11,;.72,-6.88,;2.05,-6.11,;2.04,-4.57,;.72,-3.83,;.72,-2.27,;-.61,-1.52,;-.61,.02,;.71,.79,;.71,2.33,;1.87,3.4,;1.24,4.75,;-.28,4.6,;-.61,3.1,;-1.95,2.33,;-3.29,3.01,;-2.64,1.58,;-4.22,1.58,;-3.27,.02,;-4.6,.79,;-4.6,2.33,;-1.95,.79,;3.39,3.1,;4.39,4.26,;5.89,3.96,;6.4,2.51,;5.39,1.33,;3.88,1.65,)| Show InChI InChI=1S/C25H23N5O3/c1-32-25(31)18-8-5-13-26-19(18)14-33-24-21-16-11-9-15(10-12-16)20(21)23-28-27-22(30(23)29-24)17-6-3-2-4-7-17/h2-8,13,15-16H,9-12,14H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibition of [3H]-Ro-15-1788 binding to recombinant human gamma-aminobutyric-acid A receptor alpha1-beta3-gamma2 subtype expressed in L (tk-) cells				J Med Chem 48: 1367-83 (2005) Article DOI: 10.1021/jm040883v BindingDB Entry DOI: 10.7270/Q2ZW1KD2
					More data for this Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit (Homo sapiens (Human))	BDBM50162257 (CHEMBL359906 | methyl 2-[6-phenyl-4,5,7,8-tetraaza...) Show SMILES COC(=O)c1cccnc1COc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1 |(-3.29,-1.49,;-1.95,-2.26,;-1.95,-3.8,;-3.29,-4.57,;-.61,-4.57,;-.61,-6.11,;.72,-6.88,;2.05,-6.11,;2.04,-4.57,;.72,-3.83,;.72,-2.27,;-.61,-1.52,;-.61,.02,;.71,.79,;.71,2.33,;1.87,3.4,;1.24,4.75,;-.28,4.6,;-.61,3.1,;-1.95,2.33,;-3.29,3.01,;-2.64,1.58,;-4.22,1.58,;-3.27,.02,;-4.6,.79,;-4.6,2.33,;-1.95,.79,;3.39,3.1,;4.39,4.26,;5.89,3.96,;6.4,2.51,;5.39,1.33,;3.88,1.65,)| Show InChI InChI=1S/C25H23N5O3/c1-32-25(31)18-8-5-13-26-19(18)14-33-24-21-16-11-9-15(10-12-16)20(21)23-28-27-22(30(23)29-24)17-6-3-2-4-7-17/h2-8,13,15-16H,9-12,14H2,1H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibition of [3H]-Ro-15-1788 binding to recombinant human gamma-aminobutyric acid A receptor alpha2-beta3-gamma2 subtype expressed in L (tk-) cells				J Med Chem 48: 1367-83 (2005) Article DOI: 10.1021/jm040883v BindingDB Entry DOI: 10.7270/Q2ZW1KD2
					More data for this Ligand-Target Pair