BDBM50067438 (S)-3-(3-Ethyl-[1,2,4]oxadiazol-5-yl)-9-ethynyl-3b,4,5,6-tetrahydro-2,6a,11b-triaza-benzo[g]cyclopenta[e]azulen-7-one::3-(3-Ethyl-[1,2,4]oxadiazol-5-yl)-9-ethynyl-3b,4,5,6-tetrahydro-2,6a,11b-triaza-benzo[g]cyclopenta[e]azulen-7-one::CHEMBL134175

SMILES: CCc1noc(n1)-c1ncn-2c1[C@@H]1CCCN1C(=O)c1cc(ccc-21)C#C

InChI Key: InChIKey=CIEFWAZHWHSMGL-HNNXBMFYSA-N

Data: 10 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 10 hits for monomerid = 50067438   

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))	BDBM50067438 ((S)-3-(3-Ethyl-[1,2,4]oxadiazol-5-yl)-9-ethynyl-3b...) Show SMILES CCc1noc(n1)-c1ncn-2c1[C@@H]1CCCN1C(=O)c1cc(ccc-21)C#C Show InChI InChI=1S/C20H17N5O2/c1-3-12-7-8-14-13(10-12)20(26)24-9-5-6-15(24)18-17(21-11-25(14)18)19-22-16(4-2)23-27-19/h1,7-8,10-11,15H,4-6,9H2,2H3/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40	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))	BDBM50067438 ((S)-3-(3-Ethyl-[1,2,4]oxadiazol-5-yl)-9-ethynyl-3b...) Show SMILES CCc1noc(n1)-c1ncn-2c1[C@@H]1CCCN1C(=O)c1cc(ccc-21)C#C Show InChI InChI=1S/C20H17N5O2/c1-3-12-7-8-14-13(10-12)20(26)24-9-5-6-15(24)18-17(21-11-25(14)18)19-22-16(4-2)23-27-19/h1,7-8,10-11,15H,4-6,9H2,2H3/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.40	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))	BDBM50067438 ((S)-3-(3-Ethyl-[1,2,4]oxadiazol-5-yl)-9-ethynyl-3b...) Show SMILES CCc1noc(n1)-c1ncn-2c1[C@@H]1CCCN1C(=O)c1cc(ccc-21)C#C Show InChI InChI=1S/C20H17N5O2/c1-3-12-7-8-14-13(10-12)20(26)24-9-5-6-15(24)18-17(21-11-25(14)18)19-22-16(4-2)23-27-19/h1,7-8,10-11,15H,4-6,9H2,2H3/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	40	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-3/gamma-2 subunit (Homo sapiens (Human))	BDBM50067438 ((S)-3-(3-Ethyl-[1,2,4]oxadiazol-5-yl)-9-ethynyl-3b...) Show SMILES CCc1noc(n1)-c1ncn-2c1[C@@H]1CCCN1C(=O)c1cc(ccc-21)C#C Show InChI InChI=1S/C20H17N5O2/c1-3-12-7-8-14-13(10-12)20(26)24-9-5-6-15(24)18-17(21-11-25(14)18)19-22-16(4-2)23-27-19/h1,7-8,10-11,15H,4-6,9H2,2H3/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	40	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
GABA receptor alpha-3/beta-3/gamma-2 subunit (Homo sapiens (Human))	BDBM50067438 ((S)-3-(3-Ethyl-[1,2,4]oxadiazol-5-yl)-9-ethynyl-3b...) Show SMILES CCc1noc(n1)-c1ncn-2c1[C@@H]1CCCN1C(=O)c1cc(ccc-21)C#C Show InChI InChI=1S/C20H17N5O2/c1-3-12-7-8-14-13(10-12)20(26)24-9-5-6-15(24)18-17(21-11-25(14)18)19-22-16(4-2)23-27-19/h1,7-8,10-11,15H,4-6,9H2,2H3/t15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	85	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-3/gamma-2 subunit (Homo sapiens (Human))	BDBM50067438 ((S)-3-(3-Ethyl-[1,2,4]oxadiazol-5-yl)-9-ethynyl-3b...) Show SMILES CCc1noc(n1)-c1ncn-2c1[C@@H]1CCCN1C(=O)c1cc(ccc-21)C#C Show InChI InChI=1S/C20H17N5O2/c1-3-12-7-8-14-13(10-12)20(26)24-9-5-6-15(24)18-17(21-11-25(14)18)19-22-16(4-2)23-27-19/h1,7-8,10-11,15H,4-6,9H2,2H3/t15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	85	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-1/beta-3/gamma-2 subunit (Homo sapiens (Human))	BDBM50067438 ((S)-3-(3-Ethyl-[1,2,4]oxadiazol-5-yl)-9-ethynyl-3b...) Show SMILES CCc1noc(n1)-c1ncn-2c1[C@@H]1CCCN1C(=O)c1cc(ccc-21)C#C Show InChI InChI=1S/C20H17N5O2/c1-3-12-7-8-14-13(10-12)20(26)24-9-5-6-15(24)18-17(21-11-25(14)18)19-22-16(4-2)23-27-19/h1,7-8,10-11,15H,4-6,9H2,2H3/t15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	86	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-1/beta-3/gamma-2 subunit (Homo sapiens (Human))	BDBM50067438 ((S)-3-(3-Ethyl-[1,2,4]oxadiazol-5-yl)-9-ethynyl-3b...) Show SMILES CCc1noc(n1)-c1ncn-2c1[C@@H]1CCCN1C(=O)c1cc(ccc-21)C#C Show InChI InChI=1S/C20H17N5O2/c1-3-12-7-8-14-13(10-12)20(26)24-9-5-6-15(24)18-17(21-11-25(14)18)19-22-16(4-2)23-27-19/h1,7-8,10-11,15H,4-6,9H2,2H3/t15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	86	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 receptor alpha-6/beta-3/gamma-2 subunit (Homo sapiens (Human))	BDBM50067438 ((S)-3-(3-Ethyl-[1,2,4]oxadiazol-5-yl)-9-ethynyl-3b...) Show SMILES CCc1noc(n1)-c1ncn-2c1[C@@H]1CCCN1C(=O)c1cc(ccc-21)C#C Show InChI InChI=1S/C20H17N5O2/c1-3-12-7-8-14-13(10-12)20(26)24-9-5-6-15(24)18-17(21-11-25(14)18)19-22-16(4-2)23-27-19/h1,7-8,10-11,15H,4-6,9H2,2H3/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	150	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-6/beta-3/gamma-2 subunit (Homo sapiens (Human))	BDBM50067438 ((S)-3-(3-Ethyl-[1,2,4]oxadiazol-5-yl)-9-ethynyl-3b...) Show SMILES CCc1noc(n1)-c1ncn-2c1[C@@H]1CCCN1C(=O)c1cc(ccc-21)C#C Show InChI InChI=1S/C20H17N5O2/c1-3-12-7-8-14-13(10-12)20(26)24-9-5-6-15(24)18-17(21-11-25(14)18)19-22-16(4-2)23-27-19/h1,7-8,10-11,15H,4-6,9H2,2H3/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	150	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