BDBM50079903 7-Methoxy-4,9-dihydro-3H-beta-carboline::CGS-19281A::CHEMBL6409

SMILES: COc1ccc2c3CCN=Cc3[nH]c2c1

InChI Key: InChIKey=VTEZDUSEJVSZGQ-UHFFFAOYSA-N

Data: 8 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 8 hits for monomerid = 50079903   

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
Phenylethanolamine N-methyltransferase (Bos taurus (bovine))	BDBM50079903 (7-Methoxy-4,9-dihydro-3H-beta-carboline | CGS-1928...) Show SMILES COc1ccc2c3CCN=Cc3[nH]c2c1 |c:9| Show InChI InChI=1S/C12H12N2O/c1-15-8-2-3-9-10-4-5-13-7-12(10)14-11(9)6-8/h2-3,6-7,14H,4-5H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Inhibition of PNMT (Phenylethanolamine N-Methyltransferase) in vitro				J Med Chem 42: 3315-23 (1999) Article DOI: 10.1021/jm980734a BindingDB Entry DOI: 10.7270/Q2513XD6
					More data for this Ligand-Target Pair
Phenylethanolamine N-methyltransferase (Bos taurus (bovine))	BDBM50079903 (7-Methoxy-4,9-dihydro-3H-beta-carboline | CGS-1928...) Show SMILES COc1ccc2c3CCN=Cc3[nH]c2c1 |c:9| Show InChI InChI=1S/C12H12N2O/c1-15-8-2-3-9-10-4-5-13-7-12(10)14-11(9)6-8/h2-3,6-7,14H,4-5H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Ability to inhibit phenylethanolamine N-methyltransferase (PNMT)				J Med Chem 44: 2849-56 (2001) BindingDB Entry DOI: 10.7270/Q2N58KNT
					More data for this Ligand-Target Pair
Phenylethanolamine N-methyltransferase (Bos taurus (bovine))	BDBM50079903 (7-Methoxy-4,9-dihydro-3H-beta-carboline | CGS-1928...) Show SMILES COc1ccc2c3CCN=Cc3[nH]c2c1 |c:9| Show InChI InChI=1S/C12H12N2O/c1-15-8-2-3-9-10-4-5-13-7-12(10)14-11(9)6-8/h2-3,6-7,14H,4-5H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Affinity for bovine Phenylethanolamine N-Methyltransferase (PNMT)				J Med Chem 42: 3588-601 (1999) Article DOI: 10.1021/jm990045e BindingDB Entry DOI: 10.7270/Q2NV9HFK
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50079903 (7-Methoxy-4,9-dihydro-3H-beta-carboline | CGS-1928...) Show SMILES COc1ccc2c3CCN=Cc3[nH]c2c1 |c:9| Show InChI InChI=1S/C12H12N2O/c1-15-8-2-3-9-10-4-5-13-7-12(10)14-11(9)6-8/h2-3,6-7,14H,4-5H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+4	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
Serotonin receptor 2a and 2c (5HT2A and 5HT2C) (Rattus norvegicus (Rat))	BDBM50079903 (7-Methoxy-4,9-dihydro-3H-beta-carboline | CGS-1928...) Show SMILES COc1ccc2c3CCN=Cc3[nH]c2c1 |c:9| Show InChI InChI=1S/C12H12N2O/c1-15-8-2-3-9-10-4-5-13-7-12(10)14-11(9)6-8/h2-3,6-7,14H,4-5H2,1H3	KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+4	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))	BDBM50079903 (7-Methoxy-4,9-dihydro-3H-beta-carboline | CGS-1928...) Show SMILES COc1ccc2c3CCN=Cc3[nH]c2c1 |c:9| Show InChI InChI=1S/C12H12N2O/c1-15-8-2-3-9-10-4-5-13-7-12(10)14-11(9)6-8/h2-3,6-7,14H,4-5H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+4	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
Adrenergic receptor alpha-2 (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM50079903 (7-Methoxy-4,9-dihydro-3H-beta-carboline | CGS-1928...) Show SMILES COc1ccc2c3CCN=Cc3[nH]c2c1 |c:9| Show InChI InChI=1S/C12H12N2O/c1-15-8-2-3-9-10-4-5-13-7-12(10)14-11(9)6-8/h2-3,6-7,14H,4-5H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	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 5A (Homo sapiens (Human))	BDBM50079903 (7-Methoxy-4,9-dihydro-3H-beta-carboline | CGS-1928...) Show SMILES COc1ccc2c3CCN=Cc3[nH]c2c1 |c:9| Show InChI InChI=1S/C12H12N2O/c1-15-8-2-3-9-10-4-5-13-7-12(10)14-11(9)6-8/h2-3,6-7,14H,4-5H2,1H3	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	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 human 5-hydroxytryptamine 5A receptor using LSD as radioligand				J Med Chem 46: 3930-7 (2003) Article DOI: 10.1021/jm030080s BindingDB Entry DOI: 10.7270/Q2V1245C
					More data for this Ligand-Target Pair