BDBM50014647 1,2-Dimethyl-1,2,3,4-tetrahydro-isoquinoline-6,7-diol; hydrobromide::CHEMBL544714

SMILES: CN1CCc2cc(O)c(O)cc2C1

InChI Key: InChIKey=WETXYFNVBDLWIW-UHFFFAOYSA-N

Data: 4 KI  2 IC50

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 = 50014647   

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
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit (Rattus norvegicus (Rat))	BDBM50014647 (1,2-Dimethyl-1,2,3,4-tetrahydro-isoquinoline-6,7-d...) Show SMILES CN1CCc2cc(O)c(O)cc2C1 Show InChI InChI=1S/C10H13NO2/c1-11-3-2-7-4-9(12)10(13)5-8(7)6-11/h4-5,12-13H,2-3,6H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat alpha4/beta2 nAChR expressed in HEK293 cells				J Med Chem 56: 9673-82 (2014) Article DOI: 10.1021/jm4013592 BindingDB Entry DOI: 10.7270/Q2JS9RZK
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit (Rattus norvegicus (Rat))	BDBM50014647 (1,2-Dimethyl-1,2,3,4-tetrahydro-isoquinoline-6,7-d...) Show SMILES CN1CCc2cc(O)c(O)cc2C1 Show InChI InChI=1S/C10H13NO2/c1-11-3-2-7-4-9(12)10(13)5-8(7)6-11/h4-5,12-13H,2-3,6H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat alpha4/beta4 nAChR expressed in HEK293 cells				J Med Chem 56: 9673-82 (2014) Article DOI: 10.1021/jm4013592 BindingDB Entry DOI: 10.7270/Q2JS9RZK
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-3/Beta-4 (Rattus norvegicus (Rat))	BDBM50014647 (1,2-Dimethyl-1,2,3,4-tetrahydro-isoquinoline-6,7-d...) Show SMILES CN1CCc2cc(O)c(O)cc2C1 Show InChI InChI=1S/C10H13NO2/c1-11-3-2-7-4-9(12)10(13)5-8(7)6-11/h4-5,12-13H,2-3,6H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat alpha3/beta4 nAChR expressed in HEK293 cells				J Med Chem 56: 9673-82 (2014) Article DOI: 10.1021/jm4013592 BindingDB Entry DOI: 10.7270/Q2JS9RZK
					More data for this Ligand-Target Pair
Amine oxidase (flavin-containing) A (Homo sapiens (Human))	BDBM50014647 (1,2-Dimethyl-1,2,3,4-tetrahydro-isoquinoline-6,7-d...) Show SMILES CN1CCc2cc(O)c(O)cc2C1 Show InChI InChI=1S/C10H13NO2/c1-11-3-2-7-4-9(12)10(13)5-8(7)6-11/h4-5,12-13H,2-3,6H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	1.30E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Curated by ChEMBL					Assay Description Inhibition of human placental Monoamine oxidase A (competitive inhibition was observed)				J Med Chem 33: 147-52 (1990) BindingDB Entry DOI: 10.7270/Q26110X9
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit beta-2 (Mus musculus)	BDBM50014647 (1,2-Dimethyl-1,2,3,4-tetrahydro-isoquinoline-6,7-d...) Show SMILES CN1CCc2cc(O)c(O)cc2C1 Show InChI InChI=1S/C10H13NO2/c1-11-3-2-7-4-9(12)10(13)5-8(7)6-11/h4-5,12-13H,2-3,6H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Antagonist activity at mouse alpha4/beta2 nAChR expressed in HEK293 cells assessed as inhibition of (S)-nicotine-induced activity by FLIPR membrane p...				J Med Chem 56: 9673-82 (2014) Article DOI: 10.1021/jm4013592 BindingDB Entry DOI: 10.7270/Q2JS9RZK
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-3/Beta-4 (Rattus norvegicus (Rat))	BDBM50014647 (1,2-Dimethyl-1,2,3,4-tetrahydro-isoquinoline-6,7-d...) Show SMILES CN1CCc2cc(O)c(O)cc2C1 Show InChI InChI=1S/C10H13NO2/c1-11-3-2-7-4-9(12)10(13)5-8(7)6-11/h4-5,12-13H,2-3,6H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Antagonist activity at rat alpha3/beta4 nAChR expressed in HEK293 cells assessed as inhibition of (S)-nicotine-induced activity by FLIPR membrane pot...				J Med Chem 56: 9673-82 (2014) Article DOI: 10.1021/jm4013592 BindingDB Entry DOI: 10.7270/Q2JS9RZK
					More data for this Ligand-Target Pair