BDBM50067437 (S)-9-Ethynyl-3-(3-methyl-[1,2,4]oxadiazol-5-yl)-3b,4,5,6-tetrahydro-2,6a,11b-triaza-benzo[g]cyclopenta[e]azulen-7-one::9-Ethynyl-3-(3-methyl-[1,2,4]oxadiazol-5-yl)-3b,4,5,6-tetrahydro-2,6a,11b-triaza-benzo[g]cyclopenta[e]azulen-7-one::CHEMBL336636

SMILES: Cc1noc(n1)-c1ncn-2c1[C@@H]1CCCN1C(=O)c1cc(ccc-21)C#C

InChI Key: InChIKey=KICQPTHJQWBQOI-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 = 50067437   

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))	BDBM50067437 ((S)-9-Ethynyl-3-(3-methyl-[1,2,4]oxadiazol-5-yl)-3...) Show SMILES Cc1noc(n1)-c1ncn-2c1[C@@H]1CCCN1C(=O)c1cc(ccc-21)C#C Show InChI InChI=1S/C19H15N5O2/c1-3-12-6-7-14-13(9-12)19(25)23-8-4-5-15(23)17-16(20-10-24(14)17)18-21-11(2)22-26-18/h1,6-7,9-10,15H,4-5,8H2,2H3/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.70	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
GABA receptor alpha-5/beta-3/gamma-2 subunit (Homo sapiens (Human))	BDBM50067437 ((S)-9-Ethynyl-3-(3-methyl-[1,2,4]oxadiazol-5-yl)-3...) Show SMILES Cc1noc(n1)-c1ncn-2c1[C@@H]1CCCN1C(=O)c1cc(ccc-21)C#C Show InChI InChI=1S/C19H15N5O2/c1-3-12-6-7-14-13(9-12)19(25)23-8-4-5-15(23)17-16(20-10-24(14)17)18-21-11(2)22-26-18/h1,6-7,9-10,15H,4-5,8H2,2H3/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.70	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-2/beta-3/gamma-2 subunit (Homo sapiens (Human))	BDBM50067437 ((S)-9-Ethynyl-3-(3-methyl-[1,2,4]oxadiazol-5-yl)-3...) Show SMILES Cc1noc(n1)-c1ncn-2c1[C@@H]1CCCN1C(=O)c1cc(ccc-21)C#C Show InChI InChI=1S/C19H15N5O2/c1-3-12-6-7-14-13(9-12)19(25)23-8-4-5-15(23)17-16(20-10-24(14)17)18-21-11(2)22-26-18/h1,6-7,9-10,15H,4-5,8H2,2H3/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	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 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-2/beta-3/gamma-2 subunit (Homo sapiens (Human))	BDBM50067437 ((S)-9-Ethynyl-3-(3-methyl-[1,2,4]oxadiazol-5-yl)-3...) Show SMILES Cc1noc(n1)-c1ncn-2c1[C@@H]1CCCN1C(=O)c1cc(ccc-21)C#C Show InChI InChI=1S/C19H15N5O2/c1-3-12-6-7-14-13(9-12)19(25)23-8-4-5-15(23)17-16(20-10-24(14)17)18-21-11(2)22-26-18/h1,6-7,9-10,15H,4-5,8H2,2H3/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	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 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-1/beta-3/gamma-2 subunit (Homo sapiens (Human))	BDBM50067437 ((S)-9-Ethynyl-3-(3-methyl-[1,2,4]oxadiazol-5-yl)-3...) Show SMILES Cc1noc(n1)-c1ncn-2c1[C@@H]1CCCN1C(=O)c1cc(ccc-21)C#C Show InChI InChI=1S/C19H15N5O2/c1-3-12-6-7-14-13(9-12)19(25)23-8-4-5-15(23)17-16(20-10-24(14)17)18-21-11(2)22-26-18/h1,6-7,9-10,15H,4-5,8H2,2H3/t15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	89	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))	BDBM50067437 ((S)-9-Ethynyl-3-(3-methyl-[1,2,4]oxadiazol-5-yl)-3...) Show SMILES Cc1noc(n1)-c1ncn-2c1[C@@H]1CCCN1C(=O)c1cc(ccc-21)C#C Show InChI InChI=1S/C19H15N5O2/c1-3-12-6-7-14-13(9-12)19(25)23-8-4-5-15(23)17-16(20-10-24(14)17)18-21-11(2)22-26-18/h1,6-7,9-10,15H,4-5,8H2,2H3/t15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	89	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-3/beta-3/gamma-2 subunit (Homo sapiens (Human))	BDBM50067437 ((S)-9-Ethynyl-3-(3-methyl-[1,2,4]oxadiazol-5-yl)-3...) Show SMILES Cc1noc(n1)-c1ncn-2c1[C@@H]1CCCN1C(=O)c1cc(ccc-21)C#C Show InChI InChI=1S/C19H15N5O2/c1-3-12-6-7-14-13(9-12)19(25)23-8-4-5-15(23)17-16(20-10-24(14)17)18-21-11(2)22-26-18/h1,6-7,9-10,15H,4-5,8H2,2H3/t15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	91	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))	BDBM50067437 ((S)-9-Ethynyl-3-(3-methyl-[1,2,4]oxadiazol-5-yl)-3...) Show SMILES Cc1noc(n1)-c1ncn-2c1[C@@H]1CCCN1C(=O)c1cc(ccc-21)C#C Show InChI InChI=1S/C19H15N5O2/c1-3-12-6-7-14-13(9-12)19(25)23-8-4-5-15(23)17-16(20-10-24(14)17)18-21-11(2)22-26-18/h1,6-7,9-10,15H,4-5,8H2,2H3/t15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	91	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-6/beta-3/gamma-2 subunit (Homo sapiens (Human))	BDBM50067437 ((S)-9-Ethynyl-3-(3-methyl-[1,2,4]oxadiazol-5-yl)-3...) Show SMILES Cc1noc(n1)-c1ncn-2c1[C@@H]1CCCN1C(=O)c1cc(ccc-21)C#C Show InChI InChI=1S/C19H15N5O2/c1-3-12-6-7-14-13(9-12)19(25)23-8-4-5-15(23)17-16(20-10-24(14)17)18-21-11(2)22-26-18/h1,6-7,9-10,15H,4-5,8H2,2H3/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	301	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))	BDBM50067437 ((S)-9-Ethynyl-3-(3-methyl-[1,2,4]oxadiazol-5-yl)-3...) Show SMILES Cc1noc(n1)-c1ncn-2c1[C@@H]1CCCN1C(=O)c1cc(ccc-21)C#C Show InChI InChI=1S/C19H15N5O2/c1-3-12-6-7-14-13(9-12)19(25)23-8-4-5-15(23)17-16(20-10-24(14)17)18-21-11(2)22-26-18/h1,6-7,9-10,15H,4-5,8H2,2H3/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	301	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