BDBM50083894 7-Ethynyl-1-methyl-5-phenyl-1,3-dihydro-benzo[e][1,4]diazepin-2-one(Q-II-66)::7-ethynyl-1-methyl-5-phenyl-1H-benzo[e][1,4]diazepin-2(3H)-one::CHEMBL174535

SMILES: CN1c2ccc(cc2C(=NCC1=O)c1ccccc1)C#C

InChI Key: InChIKey=FESCSZDQOFYRDR-UHFFFAOYSA-N

Data: 5 KI  2 Kd

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 7 hits for monomerid = 50083894   

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))	BDBM50083894 (7-Ethynyl-1-methyl-5-phenyl-1,3-dihydro-benzo[e][1...) Show SMILES CN1c2ccc(cc2C(=NCC1=O)c1ccccc1)C#C |c:9| Show InChI InChI=1S/C18H14N2O/c1-3-13-9-10-16-15(11-13)18(14-7-5-4-6-8-14)19-12-17(21)20(16)2/h1,4-11H,12H2,2H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	6.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Wisconsin-Milwaukee Curated by ChEMBL					Assay Description Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-5-beta-3-gamma-2				J Med Chem 43: 71-95 (2000) BindingDB Entry DOI: 10.7270/Q2W37X0J
					More data for this Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit (Homo sapiens (Human))	BDBM50083894 (7-Ethynyl-1-methyl-5-phenyl-1,3-dihydro-benzo[e][1...) Show SMILES CN1c2ccc(cc2C(=NCC1=O)c1ccccc1)C#C |c:9| Show InChI InChI=1S/C18H14N2O/c1-3-13-9-10-16-15(11-13)18(14-7-5-4-6-8-14)19-12-17(21)20(16)2/h1,4-11H,12H2,2H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Wisconsin-Milwaukee Curated by ChEMBL					Assay Description Binding affinity to human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-2-beta-3-gamma-2				J Med Chem 43: 71-95 (2000) BindingDB Entry DOI: 10.7270/Q2W37X0J
					More data for this Ligand-Target Pair
GABA receptor alpha-3/beta-3/gamma-2 subunit (Homo sapiens (Human))	BDBM50083894 (7-Ethynyl-1-methyl-5-phenyl-1,3-dihydro-benzo[e][1...) Show SMILES CN1c2ccc(cc2C(=NCC1=O)c1ccccc1)C#C |c:9| Show InChI InChI=1S/C18H14N2O/c1-3-13-9-10-16-15(11-13)18(14-7-5-4-6-8-14)19-12-17(21)20(16)2/h1,4-11H,12H2,2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Wisconsin-Milwaukee Curated by ChEMBL					Assay Description Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-3-beta-3-gamma-2				J Med Chem 43: 71-95 (2000) BindingDB Entry DOI: 10.7270/Q2W37X0J
					More data for this Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit (Homo sapiens (Human))	BDBM50083894 (7-Ethynyl-1-methyl-5-phenyl-1,3-dihydro-benzo[e][1...) Show SMILES CN1c2ccc(cc2C(=NCC1=O)c1ccccc1)C#C |c:9| Show InChI InChI=1S/C18H14N2O/c1-3-13-9-10-16-15(11-13)18(14-7-5-4-6-8-14)19-12-17(21)20(16)2/h1,4-11H,12H2,2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	76	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Wisconsin-Milwaukee Curated by ChEMBL					Assay Description Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-1-beta-3-gamma-2				J Med Chem 43: 71-95 (2000) BindingDB Entry DOI: 10.7270/Q2W37X0J
					More data for this Ligand-Target Pair
GABA receptor alpha-6/beta-3/gamma-2 subunit (Homo sapiens (Human))	BDBM50083894 (7-Ethynyl-1-methyl-5-phenyl-1,3-dihydro-benzo[e][1...) Show SMILES CN1c2ccc(cc2C(=NCC1=O)c1ccccc1)C#C |c:9| Show InChI InChI=1S/C18H14N2O/c1-3-13-9-10-16-15(11-13)18(14-7-5-4-6-8-14)19-12-17(21)20(16)2/h1,4-11H,12H2,2H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Wisconsin-Milwaukee Curated by ChEMBL					Assay Description Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-6-beta-3-gamma-2				J Med Chem 43: 71-95 (2000) BindingDB Entry DOI: 10.7270/Q2W37X0J
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (Homo sapiens (Human))	BDBM50083894 (7-Ethynyl-1-methyl-5-phenyl-1,3-dihydro-benzo[e][1...) Show SMILES CN1c2ccc(cc2C(=NCC1=O)c1ccccc1)C#C |c:9| Show InChI InChI=1S/C18H14N2O/c1-3-13-9-10-16-15(11-13)18(14-7-5-4-6-8-14)19-12-17(21)20(16)2/h1,4-11H,12H2,2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	76	n/a	n/a	n/a	n/a	n/a
Moltech Corporation Curated by ChEMBL					Assay Description Binding affinity to GABAA alpha-1-beta-2-gamma-2 receptor				J Med Chem 51: 3788-803 (2008) Article DOI: 10.1021/jm701433b BindingDB Entry DOI: 10.7270/Q2FQ9XH6
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (GABA(A)) (Homo sapiens (Human))	BDBM50083894 (7-Ethynyl-1-methyl-5-phenyl-1,3-dihydro-benzo[e][1...) Show SMILES CN1c2ccc(cc2C(=NCC1=O)c1ccccc1)C#C |c:9| Show InChI InChI=1S/C18H14N2O/c1-3-13-9-10-16-15(11-13)18(14-7-5-4-6-8-14)19-12-17(21)20(16)2/h1,4-11H,12H2,2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a
Moltech Corporation Curated by ChEMBL					Assay Description Binding affinity to GABAA alpha-5-beta-2-gamma-2 receptor				J Med Chem 51: 3788-803 (2008) Article DOI: 10.1021/jm701433b BindingDB Entry DOI: 10.7270/Q2FQ9XH6
					More data for this Ligand-Target Pair