BDBM50329627 2,2,2-trifluoroethyl 6-ethynyl-9H-pyrido[3,4-b]indole-3-carboxylate::CHEMBL1269929

SMILES: FC(F)(F)COC(=O)c1cc2c(cn1)[nH]c1ccc(cc21)C#C

InChI Key: InChIKey=HOXYFGSUNKVYSV-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50329627   

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-1/beta-3/gamma-2 subunit (Homo sapiens (Human))	BDBM50329627 (2,2,2-trifluoroethyl 6-ethynyl-9H-pyrido[3,4-b]ind...) Show SMILES FC(F)(F)COC(=O)c1cc2c(cn1)[nH]c1ccc(cc21)C#C Show InChI InChI=1S/C16H9F3N2O2/c1-2-9-3-4-12-10(5-9)11-6-13(20-7-14(11)21-12)15(22)23-8-16(17,18)19/h1,3-7,21H,8H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.5	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 Displacement of [3H]flunitrazepam from human recombinant GABAA alpha1beta3gamma2 receptor expressed in HEK cells by liquid scintillation counting				Bioorg Med Chem 18: 7548-64 (2010) Article DOI: 10.1016/j.bmc.2010.08.049 BindingDB Entry DOI: 10.7270/Q2G1613B
					More data for this Ligand-Target Pair
GABA receptor alpha-3/beta-3/gamma-2 subunit (Homo sapiens (Human))	BDBM50329627 (2,2,2-trifluoroethyl 6-ethynyl-9H-pyrido[3,4-b]ind...) Show SMILES FC(F)(F)COC(=O)c1cc2c(cn1)[nH]c1ccc(cc21)C#C Show InChI InChI=1S/C16H9F3N2O2/c1-2-9-3-4-12-10(5-9)11-6-13(20-7-14(11)21-12)15(22)23-8-16(17,18)19/h1,3-7,21H,8H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	42.7	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 Displacement of [3H]flunitrazepam from human recombinant GABAA alpha3beta3gamma2 receptor expressed in HEK cells by liquid scintillation counting				Bioorg Med Chem 18: 7548-64 (2010) Article DOI: 10.1016/j.bmc.2010.08.049 BindingDB Entry DOI: 10.7270/Q2G1613B
					More data for this Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit (Homo sapiens (Human))	BDBM50329627 (2,2,2-trifluoroethyl 6-ethynyl-9H-pyrido[3,4-b]ind...) Show SMILES FC(F)(F)COC(=O)c1cc2c(cn1)[nH]c1ccc(cc21)C#C Show InChI InChI=1S/C16H9F3N2O2/c1-2-9-3-4-12-10(5-9)11-6-13(20-7-14(11)21-12)15(22)23-8-16(17,18)19/h1,3-7,21H,8H2	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	44.6	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 Displacement of [3H]flunitrazepam from human recombinant GABAA alpha2beta3gamma2 receptor expressed in HEK cells by liquid scintillation counting				Bioorg Med Chem 18: 7548-64 (2010) Article DOI: 10.1016/j.bmc.2010.08.049 BindingDB Entry DOI: 10.7270/Q2G1613B
					More data for this Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit (Homo sapiens (Human))	BDBM50329627 (2,2,2-trifluoroethyl 6-ethynyl-9H-pyrido[3,4-b]ind...) Show SMILES FC(F)(F)COC(=O)c1cc2c(cn1)[nH]c1ccc(cc21)C#C Show InChI InChI=1S/C16H9F3N2O2/c1-2-9-3-4-12-10(5-9)11-6-13(20-7-14(11)21-12)15(22)23-8-16(17,18)19/h1,3-7,21H,8H2	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	124	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 Displacement of [3H]flunitrazepam from human recombinant GABAA alpha5beta3gamma2 receptor expressed in HEK cells by liquid scintillation counting				Bioorg Med Chem 18: 7548-64 (2010) Article DOI: 10.1016/j.bmc.2010.08.049 BindingDB Entry DOI: 10.7270/Q2G1613B
					More data for this Ligand-Target Pair
GABA receptor alpha-4/beta-3/gamma-2 subunit (Homo sapiens (Human))	BDBM50329627 (2,2,2-trifluoroethyl 6-ethynyl-9H-pyrido[3,4-b]ind...) Show SMILES FC(F)(F)COC(=O)c1cc2c(cn1)[nH]c1ccc(cc21)C#C Show InChI InChI=1S/C16H9F3N2O2/c1-2-9-3-4-12-10(5-9)11-6-13(20-7-14(11)21-12)15(22)23-8-16(17,18)19/h1,3-7,21H,8H2	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.00E+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 Displacement of [3H]flunitrazepam from human recombinant GABAA alpha4beta3gamma2 receptor expressed in HEK cells by liquid scintillation counting				Bioorg Med Chem 18: 7548-64 (2010) Article DOI: 10.1016/j.bmc.2010.08.049 BindingDB Entry DOI: 10.7270/Q2G1613B
					More data for this Ligand-Target Pair
GABA receptor alpha-6/beta-3/gamma-2 subunit (Homo sapiens (Human))	BDBM50329627 (2,2,2-trifluoroethyl 6-ethynyl-9H-pyrido[3,4-b]ind...) Show SMILES FC(F)(F)COC(=O)c1cc2c(cn1)[nH]c1ccc(cc21)C#C Show InChI InChI=1S/C16H9F3N2O2/c1-2-9-3-4-12-10(5-9)11-6-13(20-7-14(11)21-12)15(22)23-8-16(17,18)19/h1,3-7,21H,8H2	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.00E+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 Displacement of [3H]flunitrazepam from human recombinant GABAA alpha6beta3gamma2 receptor expressed in HEK cells by liquid scintillation counting				Bioorg Med Chem 18: 7548-64 (2010) Article DOI: 10.1016/j.bmc.2010.08.049 BindingDB Entry DOI: 10.7270/Q2G1613B
					More data for this Ligand-Target Pair