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BDBM50038349 (S)-6-Chloro-2-methyl-1-phenyl-1,2,3,4-tetrahydro-isoquinolin-7-ol::6-Chloro-2-methyl-1-phenyl-1,2,3,4-tetrahydro-isoquinolin-7-ol::CHEMBL303993

SMILES: CN1CCc2cc(Cl)c(O)cc2[C@@H]1c1ccccc1

InChI Key: InChIKey=AVXGCGYACIYZAR-INIZCTEOSA-N

Data: 6 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 6 hits for monomerid = 50038349   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
DOPAMINE


(RAT)
BDBM50038349
PNG
((S)-6-Chloro-2-methyl-1-phenyl-1,2,3,4-tetrahydro-...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]1c1ccccc1
Show InChI InChI=1S/C16H16ClNO/c1-18-8-7-12-9-14(17)15(19)10-13(12)16(18)11-5-3-2-4-6-11/h2-6,9-10,16,19H,7-8H2,1H3/t16-/m0/s1
UniProtKB/SwissProt

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PC cid
PC sid
UniChem
PubMed
6.60n/an/an/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine receptor D1 using [3H]-SCH-23,390 was determined in rat striatal membranes


J Med Chem 37: 4317-28 (1995)

Checked by Author
BindingDB Entry DOI: 10.7270/Q2NC607Q
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50038349
PNG
((S)-6-Chloro-2-methyl-1-phenyl-1,2,3,4-tetrahydro-...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]1c1ccccc1
Show InChI InChI=1S/C16H16ClNO/c1-18-8-7-12-9-14(17)15(19)10-13(12)16(18)11-5-3-2-4-6-11/h2-6,9-10,16,19H,7-8H2,1H3/t16-/m0/s1
UniProtKB/SwissProt

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
PubMed
6.60n/an/an/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine receptor D1 using [3H]-SCH-23,390 was determined in rat striatal membranes


J Med Chem 37: 4317-28 (1995)

Checked by Author
BindingDB Entry DOI: 10.7270/Q2NC607Q
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50038349
PNG
((S)-6-Chloro-2-methyl-1-phenyl-1,2,3,4-tetrahydro-...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]1c1ccccc1
Show InChI InChI=1S/C16H16ClNO/c1-18-8-7-12-9-14(17)15(19)10-13(12)16(18)11-5-3-2-4-6-11/h2-6,9-10,16,19H,7-8H2,1H3/t16-/m0/s1
KEGG

UniProtKB/SwissProt

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PC sid
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6.60n/an/an/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
In vitro inhibition of rat liver dihydrofolate reductase.


J Med Chem 32: 2050-8 (1989)


BindingDB Entry DOI: 10.7270/Q2RV0QXV
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50038349
PNG
((S)-6-Chloro-2-methyl-1-phenyl-1,2,3,4-tetrahydro-...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]1c1ccccc1
Show InChI InChI=1S/C16H16ClNO/c1-18-8-7-12-9-14(17)15(19)10-13(12)16(18)11-5-3-2-4-6-11/h2-6,9-10,16,19H,7-8H2,1H3/t16-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
6.60n/an/an/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of [3H]SCH-23,390 binding to Dopamine receptor D1 at 0.25 nM


J Med Chem 31: 1941-6 (1988)


BindingDB Entry DOI: 10.7270/Q20002PD
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50038349
PNG
((S)-6-Chloro-2-methyl-1-phenyl-1,2,3,4-tetrahydro-...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]1c1ccccc1
Show InChI InChI=1S/C16H16ClNO/c1-18-8-7-12-9-14(17)15(19)10-13(12)16(18)11-5-3-2-4-6-11/h2-6,9-10,16,19H,7-8H2,1H3/t16-/m0/s1
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KEGG

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1.85E+3n/an/an/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiperone binding to Dopamine receptor D2 at 0.02 nM


J Med Chem 31: 1941-6 (1988)


BindingDB Entry DOI: 10.7270/Q20002PD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50038349
PNG
((S)-6-Chloro-2-methyl-1-phenyl-1,2,3,4-tetrahydro-...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]1c1ccccc1
Show InChI InChI=1S/C16H16ClNO/c1-18-8-7-12-9-14(17)15(19)10-13(12)16(18)11-5-3-2-4-6-11/h2-6,9-10,16,19H,7-8H2,1H3/t16-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
PubMed
1.86E+3n/an/an/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Antibacterial activity against Escherichia coli


J Med Chem 32: 2050-8 (1989)


BindingDB Entry DOI: 10.7270/Q2RV0QXV
More data for this
Ligand-Target Pair