BDBM50136492 6-Methoxy-2,3,4,9-tetrahydro-1H-beta-carboline::6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole::CHEMBL266084

SMILES: COc1ccc2[nH]c3CNCCc3c2c1

InChI Key: InChIKey=QYMDEOQLJUUNOF-UHFFFAOYSA-N

Data: 4 KI  3 IC50  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 9 hits for monomerid = 50136492   

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 2A (Rattus norvegicus (rat))	BDBM50136492 (6-Methoxy-2,3,4,9-tetrahydro-1H-beta-carboline | 6...) Show SMILES COc1ccc2[nH]c3CNCCc3c2c1 Show InChI InChI=1S/C12H14N2O/c1-15-8-2-3-11-10(6-8)9-4-5-13-7-12(9)14-11/h2-3,6,13-14H,4-5,7H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.40E+3	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 for rat 5-hydroxytryptamine 2A receptor using [3H]-DOB				Bioorg Med Chem Lett 13: 4421-5 (2003) BindingDB Entry DOI: 10.7270/Q2D21X2G
					More data for this Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C) (Rattus norvegicus (Rat))	BDBM50136492 (6-Methoxy-2,3,4,9-tetrahydro-1H-beta-carboline | 6...) Show SMILES COc1ccc2[nH]c3CNCCc3c2c1 Show InChI InChI=1S/C12H14N2O/c1-15-8-2-3-11-10(6-8)9-4-5-13-7-12(9)14-11/h2-3,6,13-14H,4-5,7H2,1H3	KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.19E+3	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 towards cloned rat 5-hydroxytryptamine 2C receptor from fundus tissue by [3H]-mesulergine displacement.				Bioorg Med Chem Lett 13: 4421-5 (2003) BindingDB Entry DOI: 10.7270/Q2D21X2G
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50136492 (6-Methoxy-2,3,4,9-tetrahydro-1H-beta-carboline | 6...) Show SMILES COc1ccc2[nH]c3CNCCc3c2c1 Show InChI InChI=1S/C12H14N2O/c1-15-8-2-3-11-10(6-8)9-4-5-13-7-12(9)14-11/h2-3,6,13-14H,4-5,7H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	4.78E+3	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 towards cloned rat 5-hydroxytryptamine 2A receptor by [3H]ketanserin displacement.				Bioorg Med Chem Lett 13: 4421-5 (2003) BindingDB Entry DOI: 10.7270/Q2D21X2G
					More data for this Ligand-Target Pair
Adrenergic receptor alpha-2 (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM50136492 (6-Methoxy-2,3,4,9-tetrahydro-1H-beta-carboline | 6...) Show SMILES COc1ccc2[nH]c3CNCCc3c2c1 Show InChI InChI=1S/C12H14N2O/c1-15-8-2-3-11-10(6-8)9-4-5-13-7-12(9)14-11/h2-3,6,13-14H,4-5,7H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7.83E+3	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
Dihydroorotase (PyrC) (Bacillus anthracis (Firmicute))	BDBM50136492 (6-Methoxy-2,3,4,9-tetrahydro-1H-beta-carboline | 6...) Show SMILES COc1ccc2[nH]c3CNCCc3c2c1 Show InChI InChI=1S/C12H14N2O/c1-15-8-2-3-11-10(6-8)9-4-5-13-7-12(9)14-11/h2-3,6,13-14H,4-5,7H2,1H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	6.75E+5	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Binding affinity to Bacillus anthracis Sterne His-tagged DHOase expressed in Escherichia coli BL21(DE3) Gold cells in presence of N-carbamyl-L-aspart...				Bioorg Med Chem 24: 4536-4543 (2016) Article DOI: 10.1016/j.bmc.2016.07.055
					More data for this Ligand-Target Pair
Dihydroorotase (PyrC) (Bacillus anthracis (Firmicute))	BDBM50136492 (6-Methoxy-2,3,4,9-tetrahydro-1H-beta-carboline | 6...) Show SMILES COc1ccc2[nH]c3CNCCc3c2c1 Show InChI InChI=1S/C12H14N2O/c1-15-8-2-3-11-10(6-8)9-4-5-13-7-12(9)14-11/h2-3,6,13-14H,4-5,7H2,1H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	5.88E+5	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Binding affinity to Bacillus anthracis Sterne His-tagged DHOase expressed in Escherichia coli BL21(DE3) Gold cells by surface plasmon resonance analy...				Bioorg Med Chem 24: 4536-4543 (2016) Article DOI: 10.1016/j.bmc.2016.07.055
					More data for this Ligand-Target Pair
Cholinesterases (Homo sapiens (Human))	BDBM50136492 (6-Methoxy-2,3,4,9-tetrahydro-1H-beta-carboline | 6...) Show SMILES COc1ccc2[nH]c3CNCCc3c2c1 Show InChI InChI=1S/C12H14N2O/c1-15-8-2-3-11-10(6-8)9-4-5-13-7-12(9)14-11/h2-3,6,13-14H,4-5,7H2,1H3	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Schiller-Universität Jena Curated by ChEMBL					Assay Description Inhibition of BChE				Bioorg Med Chem Lett 16: 5840-3 (2006) Article DOI: 10.1016/j.bmcl.2006.08.067 BindingDB Entry DOI: 10.7270/Q2G73DBZ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50136492 (6-Methoxy-2,3,4,9-tetrahydro-1H-beta-carboline | 6...) Show SMILES COc1ccc2[nH]c3CNCCc3c2c1 Show InChI InChI=1S/C12H14N2O/c1-15-8-2-3-11-10(6-8)9-4-5-13-7-12(9)14-11/h2-3,6,13-14H,4-5,7H2,1H3	PDB MMDB NCI pathway 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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Schiller-Universität Jena Curated by ChEMBL					Assay Description Inhibition of AChE				Bioorg Med Chem Lett 16: 5840-3 (2006) Article DOI: 10.1016/j.bmcl.2006.08.067 BindingDB Entry DOI: 10.7270/Q2G73DBZ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50136492 (6-Methoxy-2,3,4,9-tetrahydro-1H-beta-carboline | 6...) Show SMILES COc1ccc2[nH]c3CNCCc3c2c1 Show InChI InChI=1S/C12H14N2O/c1-15-8-2-3-11-10(6-8)9-4-5-13-7-12(9)14-11/h2-3,6,13-14H,4-5,7H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.27E+5	n/a	n/a	n/a	n/a	n/a	n/a
Naresuan University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylcholine iodide as substrate measured every 5 sec for 2 mins by Ellman's method				Bioorg Med Chem Lett 22: 2885-8 (2012) Article DOI: 10.1016/j.bmcl.2012.02.057 BindingDB Entry DOI: 10.7270/Q2251K5M
					More data for this Ligand-Target Pair