BDBM50143102 6-(Pyridin-2-ylmethoxy)-3-p-tolyl-[1,2,4]triazolo[3,4-a]phthalazine::CHEMBL441612

SMILES: Cc1ccc(cc1)-c1nnc2c3ccccc3c(OCc3ccccn3)nn12

InChI Key: InChIKey=PMFGUFKMTACZHR-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 = 50143102   

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))	BDBM50143102 (6-(Pyridin-2-ylmethoxy)-3-p-tolyl-[1,2,4]triazolo[...) Show SMILES Cc1ccc(cc1)-c1nnc2c3ccccc3c(OCc3ccccn3)nn12 Show InChI InChI=1S/C22H17N5O/c1-15-9-11-16(12-10-15)20-24-25-21-18-7-2-3-8-19(18)22(26-27(20)21)28-14-17-6-4-5-13-23-17/h2-13H,14H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	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 for human GABA-A receptor alpha5-beta3-gamma2 subunits in L(tk-) cells				J Med Chem 47: 1807-22 (2004) Article DOI: 10.1021/jm031020p BindingDB Entry DOI: 10.7270/Q2959H0R
					More data for this Ligand-Target Pair
GABA receptor alpha-3/beta-3/gamma-2 subunit (Homo sapiens (Human))	BDBM50143102 (6-(Pyridin-2-ylmethoxy)-3-p-tolyl-[1,2,4]triazolo[...) Show SMILES Cc1ccc(cc1)-c1nnc2c3ccccc3c(OCc3ccccn3)nn12 Show InChI InChI=1S/C22H17N5O/c1-15-9-11-16(12-10-15)20-24-25-21-18-7-2-3-8-19(18)22(26-27(20)21)28-14-17-6-4-5-13-23-17/h2-13H,14H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	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 for human GABA-A receptor alpha3-beta3-gamma2 subunits in L(tk-) cells				J Med Chem 47: 1807-22 (2004) Article DOI: 10.1021/jm031020p BindingDB Entry DOI: 10.7270/Q2959H0R
					More data for this Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit (Homo sapiens (Human))	BDBM50143102 (6-(Pyridin-2-ylmethoxy)-3-p-tolyl-[1,2,4]triazolo[...) Show SMILES Cc1ccc(cc1)-c1nnc2c3ccccc3c(OCc3ccccn3)nn12 Show InChI InChI=1S/C22H17N5O/c1-15-9-11-16(12-10-15)20-24-25-21-18-7-2-3-8-19(18)22(26-27(20)21)28-14-17-6-4-5-13-23-17/h2-13H,14H2,1H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	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 for human GABA-A receptor alpha2-beta3-gamma2 subunits in L(tk-) cells				J Med Chem 47: 1807-22 (2004) Article DOI: 10.1021/jm031020p BindingDB Entry DOI: 10.7270/Q2959H0R
					More data for this Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit (Homo sapiens (Human))	BDBM50143102 (6-(Pyridin-2-ylmethoxy)-3-p-tolyl-[1,2,4]triazolo[...) Show SMILES Cc1ccc(cc1)-c1nnc2c3ccccc3c(OCc3ccccn3)nn12 Show InChI InChI=1S/C22H17N5O/c1-15-9-11-16(12-10-15)20-24-25-21-18-7-2-3-8-19(18)22(26-27(20)21)28-14-17-6-4-5-13-23-17/h2-13H,14H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	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 for human GABA-A receptor alpha4-beta3-gamma2 subunits in L(tk-) cells				J Med Chem 47: 1807-22 (2004) Article DOI: 10.1021/jm031020p BindingDB Entry DOI: 10.7270/Q2959H0R
					More data for this Ligand-Target Pair