BDBM50027331 1-(3,4-dihydroxybenzyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol::1-[(3,4-dihydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol hydrobromide (JW8-5)::CHEMBL19068::norlaudanosoline

SMILES: Oc1ccc(CC2NCCc3cc(O)c(O)cc23)cc1O

InChI Key: InChIKey=ABXZOXDTHTTZJW-UHFFFAOYSA-N

Data: 5 KI  1 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 50027331   

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
Adrenergic receptor beta (Rattus norvegicus (Rat))	BDBM50027331 (1-(3,4-dihydroxybenzyl)-1,2,3,4-tetrahydroisoquino...) Show SMILES Oc1ccc(CC2NCCc3cc(O)c(O)cc23)cc1O Show InChI InChI=1S/C16H17NO4/c18-13-2-1-9(6-14(13)19)5-12-11-8-16(21)15(20)7-10(11)3-4-17-12/h1-2,6-8,12,17-21H,3-5H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [3H]dihydroalprenolol binding to Beta adrenergic receptor from rat cerebral cortical membranes				J Med Chem 23: 648-52 (1980) BindingDB Entry DOI: 10.7270/Q2P2719M
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50027331 (1-(3,4-dihydroxybenzyl)-1,2,3,4-tetrahydroisoquino...) Show SMILES Oc1ccc(CC2NCCc3cc(O)c(O)cc23)cc1O Show InChI InChI=1S/C16H17NO4/c18-13-2-1-9(6-14(13)19)5-12-11-8-16(21)15(20)7-10(11)3-4-17-12/h1-2,6-8,12,17-21H,3-5H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Potency was measured by the displacement of [3H]-spiperone binding to human D4 dopaminergic receptor				Bioorg Med Chem Lett 7: 1207-1212 (1997) Article DOI: 10.1016/S0960-894X(97)00194-7 BindingDB Entry DOI: 10.7270/Q2CJ8F0Z
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50027331 (1-(3,4-dihydroxybenzyl)-1,2,3,4-tetrahydroisoquino...) Show SMILES Oc1ccc(CC2NCCc3cc(O)c(O)cc23)cc1O Show InChI InChI=1S/C16H17NO4/c18-13-2-1-9(6-14(13)19)5-12-11-8-16(21)15(20)7-10(11)3-4-17-12/h1-2,6-8,12,17-21H,3-5H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Potency was measured by the displacement of [3H]spiperone binding to human D2 dopaminergic receptor				Bioorg Med Chem Lett 7: 1207-1212 (1997) Article DOI: 10.1016/S0960-894X(97)00194-7 BindingDB Entry DOI: 10.7270/Q2CJ8F0Z
					More data for this Ligand-Target Pair
Dopamine receptor (Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)	BDBM50027331 (1-(3,4-dihydroxybenzyl)-1,2,3,4-tetrahydroisoquino...) Show SMILES Oc1ccc(CC2NCCc3cc(O)c(O)cc23)cc1O Show InChI InChI=1S/C16H17NO4/c18-13-2-1-9(6-14(13)19)5-12-11-8-16(21)15(20)7-10(11)3-4-17-12/h1-2,6-8,12,17-21H,3-5H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [3H]spiroperidol binding to dopamine receptor from rat striatum membranes				J Med Chem 23: 648-52 (1980) BindingDB Entry DOI: 10.7270/Q2P2719M
					More data for this Ligand-Target Pair
Adrenergic receptor alpha (Rattus norvegicus (rat)-Rattus norvegicus (Rat)-RA...)	BDBM50027331 (1-(3,4-dihydroxybenzyl)-1,2,3,4-tetrahydroisoquino...) Show SMILES Oc1ccc(CC2NCCc3cc(O)c(O)cc23)cc1O Show InChI InChI=1S/C16H17NO4/c18-13-2-1-9(6-14(13)19)5-12-11-8-16(21)15(20)7-10(11)3-4-17-12/h1-2,6-8,12,17-21H,3-5H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [3H]WB-4101 binding to alpha adrenergic receptor from rat cerebral cortical membranes				J Med Chem 23: 648-52 (1980) BindingDB Entry DOI: 10.7270/Q2P2719M
					More data for this Ligand-Target Pair
H1N1 Endonuclease (2009 H1N1 Influenza)	BDBM50027331 (1-(3,4-dihydroxybenzyl)-1,2,3,4-tetrahydroisoquino...) Show SMILES Oc1ccc(CC2NCCc3cc(O)c(O)cc23)cc1O Show InChI InChI=1S/C16H17NO4/c18-13-2-1-9(6-14(13)19)5-12-11-8-16(21)15(20)7-10(11)3-4-17-12/h1-2,6-8,12,17-21H,3-5H2	PDB MMDB B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Rutgers University									ACS Chem Biol 8: 2501-8 (2013) Article DOI: 10.1021/cb400400j BindingDB Entry DOI: 10.7270/Q28W3BZW
					More data for this Ligand-Target Pair