BDBM50130095 6-Methyl-1,2,3,4,5,6-hexahydro-azepino[4,5-b]indole::CHEMBL6557::PNU-22394

SMILES: Cn1c2CCNCCc2c2ccccc12

InChI Key: InChIKey=ZBXDOQWPGBISAR-UHFFFAOYSA-N

Data: 3 KI  4 EC50

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 7 hits for monomerid = 50130095   

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
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50130095 (6-Methyl-1,2,3,4,5,6-hexahydro-azepino[4,5-b]indol...) Show SMILES Cn1c2CCNCCc2c2ccccc12 Show InChI InChI=1S/C13H16N2/c1-15-12-5-3-2-4-10(12)11-6-8-14-9-7-13(11)15/h2-5,14H,6-9H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia Corporation Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 2C receptor using [125I]-DOI radioligand.				Bioorg Med Chem Lett 13: 2369-72 (2003) BindingDB Entry DOI: 10.7270/Q2B857GJ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50130095 (6-Methyl-1,2,3,4,5,6-hexahydro-azepino[4,5-b]indol...) Show SMILES Cn1c2CCNCCc2c2ccccc12 Show InChI InChI=1S/C13H16N2/c1-15-12-5-3-2-4-10(12)11-6-8-14-9-7-13(11)15/h2-5,14H,6-9H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia Corporation Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 2A receptor using [125I]-DOI radioligand.				Bioorg Med Chem Lett 13: 2369-72 (2003) BindingDB Entry DOI: 10.7270/Q2B857GJ
					More data for this Ligand-Target Pair
Adrenergic receptor alpha-2 (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM50130095 (6-Methyl-1,2,3,4,5,6-hexahydro-azepino[4,5-b]indol...) Show SMILES Cn1c2CCNCCc2c2ccccc12 Show InChI InChI=1S/C13H16N2/c1-15-12-5-3-2-4-10(12)11-6-8-14-9-7-13(11)15/h2-5,14H,6-9H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	415	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Binding affinity at alpha-2 adrenergic receptors of rat.				Bioorg Med Chem Lett 14: 999-1002 (2004) Article DOI: 10.1016/j.bmcl.2003.11.078 BindingDB Entry DOI: 10.7270/Q2SB456G
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50130095 (6-Methyl-1,2,3,4,5,6-hexahydro-azepino[4,5-b]indol...) Show SMILES Cn1c2CCNCCc2c2ccccc12 Show InChI InChI=1S/C13H16N2/c1-15-12-5-3-2-4-10(12)11-6-8-14-9-7-13(11)15/h2-5,14H,6-9H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	210	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Agonist activity at human 5HT2A receptor expressed in HEK293 cells assessed as accumulation of IP1 incubated for 1 hr at 37 degC followed by 15 mins ...				J Med Chem 56: 1211-27 (2013) Article DOI: 10.1021/jm301656h BindingDB Entry DOI: 10.7270/Q2ZP47GW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50130095 (6-Methyl-1,2,3,4,5,6-hexahydro-azepino[4,5-b]indol...) Show SMILES Cn1c2CCNCCc2c2ccccc12 Show InChI InChI=1S/C13H16N2/c1-15-12-5-3-2-4-10(12)11-6-8-14-9-7-13(11)15/h2-5,14H,6-9H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	120	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Agonist activity at human 5HT2C receptor expressed in HEK293 cells assessed as accumulation of IP1 incubated for 1 hr at 37 degC followed by 15 mins ...				J Med Chem 56: 1211-27 (2013) Article DOI: 10.1021/jm301656h BindingDB Entry DOI: 10.7270/Q2ZP47GW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50130095 (6-Methyl-1,2,3,4,5,6-hexahydro-azepino[4,5-b]indol...) Show SMILES Cn1c2CCNCCc2c2ccccc12 Show InChI InChI=1S/C13H16N2/c1-15-12-5-3-2-4-10(12)11-6-8-14-9-7-13(11)15/h2-5,14H,6-9H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	7.70	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Agonist activity at human 5HT2C receptor expressed in HEK293 cells assessed as induction of intracellular calcium release measured for 90 secs by flu...				J Med Chem 56: 1211-27 (2013) Article DOI: 10.1021/jm301656h BindingDB Entry DOI: 10.7270/Q2ZP47GW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50130095 (6-Methyl-1,2,3,4,5,6-hexahydro-azepino[4,5-b]indol...) Show SMILES Cn1c2CCNCCc2c2ccccc12 Show InChI InChI=1S/C13H16N2/c1-15-12-5-3-2-4-10(12)11-6-8-14-9-7-13(11)15/h2-5,14H,6-9H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	23	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Agonist activity at human 5HT2A receptor expressed in HEK293 cells assessed as induction of intracellular calcium release measured for 90 secs by flu...				J Med Chem 56: 1211-27 (2013) Article DOI: 10.1021/jm301656h BindingDB Entry DOI: 10.7270/Q2ZP47GW
					More data for this Ligand-Target Pair