BDBM50244036 Beta-CCT::CHEMBL509197::tert-butyl 9H-pyrido[3,4-b]indole-3-carboxylate

SMILES: CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccccc21

InChI Key: InChIKey=FVFFDKKTXYVCCW-UHFFFAOYSA-N

Data: 8 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 10 hits for monomerid = 50244036   

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))	BDBM50244036 (Beta-CCT | CHEMBL509197 | tert-butyl 9H-pyrido[3,4...) Show SMILES CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccccc21 Show InChI InChI=1S/C16H16N2O2/c1-16(2,3)20-15(19)13-8-11-10-6-4-5-7-12(10)18-14(11)9-17-13/h4-9,18H,1-3H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.720	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-2/beta-3/gamma-2 subunit (Homo sapiens (Human))	BDBM50244036 (Beta-CCT | CHEMBL509197 | tert-butyl 9H-pyrido[3,4...) Show SMILES CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccccc21 Show InChI InChI=1S/C16H16N2O2/c1-16(2,3)20-15(19)13-8-11-10-6-4-5-7-12(10)18-14(11)9-17-13/h4-9,18H,1-3H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase 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 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-3/beta-3/gamma-2 subunit (Homo sapiens (Human))	BDBM50244036 (Beta-CCT | CHEMBL509197 | tert-butyl 9H-pyrido[3,4...) Show SMILES CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccccc21 Show InChI InChI=1S/C16H16N2O2/c1-16(2,3)20-15(19)13-8-11-10-6-4-5-7-12(10)18-14(11)9-17-13/h4-9,18H,1-3H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18.9	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-5/beta-3/gamma-2 subunit (Homo sapiens (Human))	BDBM50244036 (Beta-CCT | CHEMBL509197 | tert-butyl 9H-pyrido[3,4...) Show SMILES CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccccc21 Show InChI InChI=1S/C16H16N2O2/c1-16(2,3)20-15(19)13-8-11-10-6-4-5-7-12(10)18-14(11)9-17-13/h4-9,18H,1-3H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	111	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
Gamma-aminobutyric acid receptor (GABA(A)) subunit alpha-4 (Rattus norvegicus (Rat))	BDBM50244036 (Beta-CCT | CHEMBL509197 | tert-butyl 9H-pyrido[3,4...) Show SMILES CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccccc21 Show InChI InChI=1S/C16H16N2O2/c1-16(2,3)20-15(19)13-8-11-10-6-4-5-7-12(10)18-14(11)9-17-13/h4-9,18H,1-3H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	897	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-4/beta-3/gamma-2 subunit (Homo sapiens (Human))	BDBM50244036 (Beta-CCT | CHEMBL509197 | tert-butyl 9H-pyrido[3,4...) Show SMILES CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccccc21 Show InChI InChI=1S/C16H16N2O2/c1-16(2,3)20-15(19)13-8-11-10-6-4-5-7-12(10)18-14(11)9-17-13/h4-9,18H,1-3H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+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 A receptor alpha-6/beta-2/gamma-2 (RAT)	BDBM50244036 (Beta-CCT | CHEMBL509197 | tert-butyl 9H-pyrido[3,4...) Show SMILES CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccccc21 Show InChI InChI=1S/C16H16N2O2/c1-16(2,3)20-15(19)13-8-11-10-6-4-5-7-12(10)18-14(11)9-17-13/h4-9,18H,1-3H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.75E+3	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-6/beta-3/gamma-2 subunit (Homo sapiens (Human))	BDBM50244036 (Beta-CCT | CHEMBL509197 | tert-butyl 9H-pyrido[3,4...) Show SMILES CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccccc21 Show InChI InChI=1S/C16H16N2O2/c1-16(2,3)20-15(19)13-8-11-10-6-4-5-7-12(10)18-14(11)9-17-13/h4-9,18H,1-3H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+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
Gamma-aminobutyric acid receptor subunit alpha-5 (GABA(A)) (Homo sapiens (Human))	BDBM50244036 (Beta-CCT | CHEMBL509197 | tert-butyl 9H-pyrido[3,4...) Show SMILES CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccccc21 Show InChI InChI=1S/C16H16N2O2/c1-16(2,3)20-15(19)13-8-11-10-6-4-5-7-12(10)18-14(11)9-17-13/h4-9,18H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	111	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
Gamma-aminobutyric acid receptor subunit alpha-1 (Homo sapiens (Human))	BDBM50244036 (Beta-CCT | CHEMBL509197 | tert-butyl 9H-pyrido[3,4...) Show SMILES CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccccc21 Show InChI InChI=1S/C16H16N2O2/c1-16(2,3)20-15(19)13-8-11-10-6-4-5-7-12(10)18-14(11)9-17-13/h4-9,18H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1	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