BDBM50049739 8-Ethyl-5-methyl-6-oxo-5,6-dihydro-4H-2,5,10b-triaza-benzo[e]azulene-3-carboxylic acid tert-butyl ester::CHEMBL58570::DM 286

SMILES: CCc1ccc-2c(c1)C(=O)N(C)Cc1c(ncn-21)C(=O)OC(C)(C)C

InChI Key: InChIKey=ULDBOWIRGDMZPF-UHFFFAOYSA-N

Data: 16 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 16 hits for monomerid = 50049739   

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))	BDBM50049739 (8-Ethyl-5-methyl-6-oxo-5,6-dihydro-4H-2,5,10b-tria...) Show SMILES CCc1ccc-2c(c1)C(=O)N(C)Cc1c(ncn-21)C(=O)OC(C)(C)C Show InChI InChI=1S/C19H23N3O3/c1-6-12-7-8-14-13(9-12)17(23)21(5)10-15-16(20-11-22(14)15)18(24)25-19(2,3)4/h7-9,11H,6,10H2,1-5H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70	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 Gamma-aminobutyric-acid A receptor alpha5-beta3-gamma2				J Med Chem 41: 4130-42 (1998) Article DOI: 10.1021/jm980317y BindingDB Entry DOI: 10.7270/Q2W37VFJ
					More data for this Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit (Homo sapiens (Human))	BDBM50049739 (8-Ethyl-5-methyl-6-oxo-5,6-dihydro-4H-2,5,10b-tria...) Show SMILES CCc1ccc-2c(c1)C(=O)N(C)Cc1c(ncn-21)C(=O)OC(C)(C)C Show InChI InChI=1S/C19H23N3O3/c1-6-12-7-8-14-13(9-12)17(23)21(5)10-15-16(20-11-22(14)15)18(24)25-19(2,3)4/h7-9,11H,6,10H2,1-5H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.70	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
Gamma-aminobutyric acid receptor (GABA(A)) subunit alpha-4 (Rattus norvegicus (Rat))	BDBM50049739 (8-Ethyl-5-methyl-6-oxo-5,6-dihydro-4H-2,5,10b-tria...) Show SMILES CCc1ccc-2c(c1)C(=O)N(C)Cc1c(ncn-21)C(=O)OC(C)(C)C Show InChI InChI=1S/C19H23N3O3/c1-6-12-7-8-14-13(9-12)17(23)21(5)10-15-16(20-11-22(14)15)18(24)25-19(2,3)4/h7-9,11H,6,10H2,1-5H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes, Digestive, and Kidney Diseases Curated by PDSP Ki Database									Neuropharmacology 35: 1307-14 (1996) Article DOI: 10.1016/s0028-3908(96)00054-8 BindingDB Entry DOI: 10.7270/Q28S4NF7
					More data for this Ligand-Target Pair
GABA A receptor alpha-6/beta-2/gamma-2 (RAT)	BDBM50049739 (8-Ethyl-5-methyl-6-oxo-5,6-dihydro-4H-2,5,10b-tria...) Show SMILES CCc1ccc-2c(c1)C(=O)N(C)Cc1c(ncn-21)C(=O)OC(C)(C)C Show InChI InChI=1S/C19H23N3O3/c1-6-12-7-8-14-13(9-12)17(23)21(5)10-15-16(20-11-22(14)15)18(24)25-19(2,3)4/h7-9,11H,6,10H2,1-5H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes, Digestive, and Kidney Diseases Curated by PDSP Ki Database									Neuropharmacology 35: 1307-14 (1996) Article DOI: 10.1016/s0028-3908(96)00054-8 BindingDB Entry DOI: 10.7270/Q28S4NF7
					More data for this Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit (Homo sapiens (Human))	BDBM50049739 (8-Ethyl-5-methyl-6-oxo-5,6-dihydro-4H-2,5,10b-tria...) Show SMILES CCc1ccc-2c(c1)C(=O)N(C)Cc1c(ncn-21)C(=O)OC(C)(C)C Show InChI InChI=1S/C19H23N3O3/c1-6-12-7-8-14-13(9-12)17(23)21(5)10-15-16(20-11-22(14)15)18(24)25-19(2,3)4/h7-9,11H,6,10H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	15	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-A receptor; alpha-1/beta-2/gamma-2 (Homo sapiens (Human))	BDBM50049739 (8-Ethyl-5-methyl-6-oxo-5,6-dihydro-4H-2,5,10b-tria...) Show SMILES CCc1ccc-2c(c1)C(=O)N(C)Cc1c(ncn-21)C(=O)OC(C)(C)C Show InChI InChI=1S/C19H23N3O3/c1-6-12-7-8-14-13(9-12)17(23)21(5)10-15-16(20-11-22(14)15)18(24)25-19(2,3)4/h7-9,11H,6,10H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	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 GABA-A receptor alpha-1-beta-2-gamma-2 expressed in L(tk-) cell membranes				J Med Chem 39: 1928-34 (1996) Article DOI: 10.1021/jm950887n BindingDB Entry DOI: 10.7270/Q2K35SR6
					More data for this Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit (Homo sapiens (Human))	BDBM50049739 (8-Ethyl-5-methyl-6-oxo-5,6-dihydro-4H-2,5,10b-tria...) Show SMILES CCc1ccc-2c(c1)C(=O)N(C)Cc1c(ncn-21)C(=O)OC(C)(C)C Show InChI InChI=1S/C19H23N3O3/c1-6-12-7-8-14-13(9-12)17(23)21(5)10-15-16(20-11-22(14)15)18(24)25-19(2,3)4/h7-9,11H,6,10H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	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 against alpha1-beta3-gamma2 GABAA/BzR receptor subtype.				J Med Chem 41: 4130-42 (1998) Article DOI: 10.1021/jm980317y BindingDB Entry DOI: 10.7270/Q2W37VFJ
					More data for this Ligand-Target Pair
GABA A receptor alpha-6/beta-2/gamma-2 (Homo sapiens (Human))	BDBM50049739 (8-Ethyl-5-methyl-6-oxo-5,6-dihydro-4H-2,5,10b-tria...) Show SMILES CCc1ccc-2c(c1)C(=O)N(C)Cc1c(ncn-21)C(=O)OC(C)(C)C Show InChI InChI=1S/C19H23N3O3/c1-6-12-7-8-14-13(9-12)17(23)21(5)10-15-16(20-11-22(14)15)18(24)25-19(2,3)4/h7-9,11H,6,10H2,1-5H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	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 GABA-A receptor alpha-6-beta-2-gamma-2 expressed in L(tk-) cell membranes				J Med Chem 39: 1928-34 (1996) Article DOI: 10.1021/jm950887n BindingDB Entry DOI: 10.7270/Q2K35SR6
					More data for this Ligand-Target Pair
GABA receptor alpha-6/beta-3/gamma-2 subunit (Homo sapiens (Human))	BDBM50049739 (8-Ethyl-5-methyl-6-oxo-5,6-dihydro-4H-2,5,10b-tria...) Show SMILES CCc1ccc-2c(c1)C(=O)N(C)Cc1c(ncn-21)C(=O)OC(C)(C)C Show InChI InChI=1S/C19H23N3O3/c1-6-12-7-8-14-13(9-12)17(23)21(5)10-15-16(20-11-22(14)15)18(24)25-19(2,3)4/h7-9,11H,6,10H2,1-5H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	23	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
GABA receptor alpha-6/beta-3/gamma-2 subunit (Homo sapiens (Human))	BDBM50049739 (8-Ethyl-5-methyl-6-oxo-5,6-dihydro-4H-2,5,10b-tria...) Show SMILES CCc1ccc-2c(c1)C(=O)N(C)Cc1c(ncn-21)C(=O)OC(C)(C)C Show InChI InChI=1S/C19H23N3O3/c1-6-12-7-8-14-13(9-12)17(23)21(5)10-15-16(20-11-22(14)15)18(24)25-19(2,3)4/h7-9,11H,6,10H2,1-5H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	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 against Gamma-aminobutyric-acid A receptor alpha6-beta3-gamma2				J Med Chem 41: 4130-42 (1998) Article DOI: 10.1021/jm980317y BindingDB Entry DOI: 10.7270/Q2W37VFJ
					More data for this Ligand-Target Pair
GABA receptor alpha-3/beta-3/gamma-2 subunit (Homo sapiens (Human))	BDBM50049739 (8-Ethyl-5-methyl-6-oxo-5,6-dihydro-4H-2,5,10b-tria...) Show SMILES CCc1ccc-2c(c1)C(=O)N(C)Cc1c(ncn-21)C(=O)OC(C)(C)C Show InChI InChI=1S/C19H23N3O3/c1-6-12-7-8-14-13(9-12)17(23)21(5)10-15-16(20-11-22(14)15)18(24)25-19(2,3)4/h7-9,11H,6,10H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25	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 against alpha3-beta3-gamma2 GABAA/BzR receptor subtype.				J Med Chem 41: 4130-42 (1998) Article DOI: 10.1021/jm980317y BindingDB Entry DOI: 10.7270/Q2W37VFJ
					More data for this Ligand-Target Pair
GABA receptor alpha-3/beta-3/gamma-2 subunit (Homo sapiens (Human))	BDBM50049739 (8-Ethyl-5-methyl-6-oxo-5,6-dihydro-4H-2,5,10b-tria...) Show SMILES CCc1ccc-2c(c1)C(=O)N(C)Cc1c(ncn-21)C(=O)OC(C)(C)C Show InChI InChI=1S/C19H23N3O3/c1-6-12-7-8-14-13(9-12)17(23)21(5)10-15-16(20-11-22(14)15)18(24)25-19(2,3)4/h7-9,11H,6,10H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	25	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-3/beta-2/gamma-2 subunit (Homo sapiens (Human))	BDBM50049739 (8-Ethyl-5-methyl-6-oxo-5,6-dihydro-4H-2,5,10b-tria...) Show SMILES CCc1ccc-2c(c1)C(=O)N(C)Cc1c(ncn-21)C(=O)OC(C)(C)C Show InChI InChI=1S/C19H23N3O3/c1-6-12-7-8-14-13(9-12)17(23)21(5)10-15-16(20-11-22(14)15)18(24)25-19(2,3)4/h7-9,11H,6,10H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25	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 GABA-A receptor alpha-3-beta-2-gamma-2 expressed in L(tk-) cell membranes				J Med Chem 39: 1928-34 (1996) Article DOI: 10.1021/jm950887n BindingDB Entry DOI: 10.7270/Q2K35SR6
					More data for this Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit (Homo sapiens (Human))	BDBM50049739 (8-Ethyl-5-methyl-6-oxo-5,6-dihydro-4H-2,5,10b-tria...) Show SMILES CCc1ccc-2c(c1)C(=O)N(C)Cc1c(ncn-21)C(=O)OC(C)(C)C Show InChI InChI=1S/C19H23N3O3/c1-6-12-7-8-14-13(9-12)17(23)21(5)10-15-16(20-11-22(14)15)18(24)25-19(2,3)4/h7-9,11H,6,10H2,1-5H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	56	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-2/beta-2/gamma-2 subunit (Homo sapiens (Human))	BDBM50049739 (8-Ethyl-5-methyl-6-oxo-5,6-dihydro-4H-2,5,10b-tria...) Show SMILES CCc1ccc-2c(c1)C(=O)N(C)Cc1c(ncn-21)C(=O)OC(C)(C)C Show InChI InChI=1S/C19H23N3O3/c1-6-12-7-8-14-13(9-12)17(23)21(5)10-15-16(20-11-22(14)15)18(24)25-19(2,3)4/h7-9,11H,6,10H2,1-5H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	56	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 GABA-A receptor alpha-2-beta-2-gamma-2 expressed in L(tk-) cell membranes				J Med Chem 39: 1928-34 (1996) Article DOI: 10.1021/jm950887n BindingDB Entry DOI: 10.7270/Q2K35SR6
					More data for this Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit (Homo sapiens (Human))	BDBM50049739 (8-Ethyl-5-methyl-6-oxo-5,6-dihydro-4H-2,5,10b-tria...) Show SMILES CCc1ccc-2c(c1)C(=O)N(C)Cc1c(ncn-21)C(=O)OC(C)(C)C Show InChI InChI=1S/C19H23N3O3/c1-6-12-7-8-14-13(9-12)17(23)21(5)10-15-16(20-11-22(14)15)18(24)25-19(2,3)4/h7-9,11H,6,10H2,1-5H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	56	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 of the compound tested against alpha2-beta3-gamma2 GABAA/BzR receptor subtype.				J Med Chem 41: 4130-42 (1998) Article DOI: 10.1021/jm980317y BindingDB Entry DOI: 10.7270/Q2W37VFJ
					More data for this Ligand-Target Pair