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:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50027331   

TargetBeta-1/Beta-2/Beta-3 adrenergic receptor(Rattus norvegicus (Rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50027331(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
Affinity DataKi:  300nMAssay Description:Inhibition of [3H]dihydroalprenolol binding to Beta adrenergic receptor from rat cerebral cortical membranesMore data for this Ligand-Target Pair
TargetD(4) dopamine receptor(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50027331(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
Affinity DataKi:  2.50E+3nMAssay Description:Potency was measured by the displacement of [3H]-spiperone binding to human D4 dopaminergic receptorMore data for this Ligand-Target Pair
In DepthDetails Article
TargetD(2) dopamine receptor(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50027331(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
Affinity DataKi:  3.40E+3nMAssay Description:Potency was measured by the displacement of [3H]spiperone binding to human D2 dopaminergic receptorMore data for this Ligand-Target Pair
In DepthDetails Article
TargetD(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor(Rattus norvegicus (rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50027331(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
Affinity DataKi:  1.00E+4nMAssay Description:Inhibition of [3H]spiroperidol binding to dopamine receptor from rat striatum membranesMore data for this Ligand-Target Pair
LigandPNGBDBM50027331(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
Affinity DataKi:  4.00E+4nMAssay Description:Inhibition of [3H]WB-4101 binding to alpha adrenergic receptor from rat cerebral cortical membranesMore data for this Ligand-Target Pair
TargetPolymerase acidic protein [1-204,T86I,G186S](2009 H1N1 Influenza)
Rutgers University

LigandPNGBDBM50027331(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
Affinity DataIC50: 1.00E+5nMMore data for this Ligand-Target Pair