BDBM50333161 2-(4-Methylphenyl)-9-(2-phenylethyl)-2,6-dihydro[1,2,4]-triazolo[4,3-c]-quinazoline-3,5-dione::CHEMBL1644825

SMILES: Cc1ccc(cc1)-n1nc2c3cc(CCc4ccccc4)ccc3[nH]c(=O)n2c1=O

InChI Key: InChIKey=OEIRQQZGARGKRG-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 = 50333161   

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-1/beta-3/gamma-2 subunit (Homo sapiens (Human))	BDBM50333161 (2-(4-Methylphenyl)-9-(2-phenylethyl)-2,6-dihydro[1...) Show SMILES Cc1ccc(cc1)-n1nc2c3cc(CCc4ccccc4)ccc3[nH]c(=O)n2c1=O Show InChI InChI=1S/C24H20N4O2/c1-16-7-12-19(13-8-16)28-24(30)27-22(26-28)20-15-18(11-14-21(20)25-23(27)29)10-9-17-5-3-2-4-6-17/h2-8,11-15H,9-10H2,1H3,(H,25,29)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lund University Curated by ChEMBL					Assay Description Displacement of [3H]flumazenil human recombinant alpha1beta3gamma2 GABA(A) receptor expressed in HEK293 cells after 30 mins by glass fiber filtration...				Bioorg Med Chem 19: 111-21 (2011) Article DOI: 10.1016/j.bmc.2010.11.050 BindingDB Entry DOI: 10.7270/Q2Z038FK
					More data for this Ligand-Target Pair
GABA receptor alpha-3/beta-3/gamma-2 subunit (Homo sapiens (Human))	BDBM50333161 (2-(4-Methylphenyl)-9-(2-phenylethyl)-2,6-dihydro[1...) Show SMILES Cc1ccc(cc1)-n1nc2c3cc(CCc4ccccc4)ccc3[nH]c(=O)n2c1=O Show InChI InChI=1S/C24H20N4O2/c1-16-7-12-19(13-8-16)28-24(30)27-22(26-28)20-15-18(11-14-21(20)25-23(27)29)10-9-17-5-3-2-4-6-17/h2-8,11-15H,9-10H2,1H3,(H,25,29)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lund University Curated by ChEMBL					Assay Description Displacement of [3H]flumazenil human recombinant alpha3beta3gamma2 GABA(A) receptor expressed in HEK293 cells after 30 mins by glass fiber filtration...				Bioorg Med Chem 19: 111-21 (2011) Article DOI: 10.1016/j.bmc.2010.11.050 BindingDB Entry DOI: 10.7270/Q2Z038FK
					More data for this Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit (Homo sapiens (Human))	BDBM50333161 (2-(4-Methylphenyl)-9-(2-phenylethyl)-2,6-dihydro[1...) Show SMILES Cc1ccc(cc1)-n1nc2c3cc(CCc4ccccc4)ccc3[nH]c(=O)n2c1=O Show InChI InChI=1S/C24H20N4O2/c1-16-7-12-19(13-8-16)28-24(30)27-22(26-28)20-15-18(11-14-21(20)25-23(27)29)10-9-17-5-3-2-4-6-17/h2-8,11-15H,9-10H2,1H3,(H,25,29)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	65	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lund University Curated by ChEMBL					Assay Description Displacement of [3H]flumazenil human recombinant alpha2beta3gamma2 GABA(A) receptor expressed in HEK293 cells after 30 mins by glass fiber filtration...				Bioorg Med Chem 19: 111-21 (2011) Article DOI: 10.1016/j.bmc.2010.11.050 BindingDB Entry DOI: 10.7270/Q2Z038FK
					More data for this Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit (Homo sapiens (Human))	BDBM50333161 (2-(4-Methylphenyl)-9-(2-phenylethyl)-2,6-dihydro[1...) Show SMILES Cc1ccc(cc1)-n1nc2c3cc(CCc4ccccc4)ccc3[nH]c(=O)n2c1=O Show InChI InChI=1S/C24H20N4O2/c1-16-7-12-19(13-8-16)28-24(30)27-22(26-28)20-15-18(11-14-21(20)25-23(27)29)10-9-17-5-3-2-4-6-17/h2-8,11-15H,9-10H2,1H3,(H,25,29)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	66	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lund University Curated by ChEMBL					Assay Description Displacement of [3H]flumazenil human recombinant alpha5beta3gamma2 GABA(A) receptor expressed in HEK293 cells after 30 mins by glass fiber filtration...				Bioorg Med Chem 19: 111-21 (2011) Article DOI: 10.1016/j.bmc.2010.11.050 BindingDB Entry DOI: 10.7270/Q2Z038FK
					More data for this Ligand-Target Pair