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SMILES: CN1CCc2cccc-3c2[C@H]1Cc1ccc(Br)c(O)c-31

InChI Key: InChIKey=LOSIOYLXOVSGIE-CQSZACIVSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50016011   
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
D(1A) dopamine receptor


(RAT)
BDBM50016011
PNG
((R)-10-bromo-6-methyl-5,6,6a,7-tetrahydro-4H-diben...)
Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1ccc(Br)c(O)c-31
Show InChI InChI=1S/C17H16BrNO/c1-19-8-7-10-3-2-4-12-15(10)14(19)9-11-5-6-13(18)17(20)16(11)12/h2-6,14,20H,7-9H2,1H3/t14-/m1/s1
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 171n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat Dopamine receptor D1 by [3H]-SCH-23,390 displacement.


J Med Chem 33: 600-7 (1990)


BindingDB Entry DOI: 10.7270/Q2XS5TCP
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50016011
PNG
((R)-10-bromo-6-methyl-5,6,6a,7-tetrahydro-4H-diben...)
Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1ccc(Br)c(O)c-31
Show InChI InChI=1S/C17H16BrNO/c1-19-8-7-10-3-2-4-12-15(10)14(19)9-11-5-6-13(18)17(20)16(11)12/h2-6,14,20H,7-9H2,1H3/t14-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 170n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH-23390 from rat dopamine D1 receptor


J Med Chem 50: 171-81 (2007)


Article DOI: 10.1021/jm060959i
BindingDB Entry DOI: 10.7270/Q22J6CPJ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50016011
PNG
((R)-10-bromo-6-methyl-5,6,6a,7-tetrahydro-4H-diben...)
Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1ccc(Br)c(O)c-31
Show InChI InChI=1S/C17H16BrNO/c1-19-8-7-10-3-2-4-12-15(10)14(19)9-11-5-6-13(18)17(20)16(11)12/h2-6,14,20H,7-9H2,1H3/t14-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 660n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]raclopride from rat dopamine D2 receptor


J Med Chem 50: 171-81 (2007)


Article DOI: 10.1021/jm060959i
BindingDB Entry DOI: 10.7270/Q22J6CPJ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50016011
PNG
((R)-10-bromo-6-methyl-5,6,6a,7-tetrahydro-4H-diben...)
Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1ccc(Br)c(O)c-31
Show InChI InChI=1S/C17H16BrNO/c1-19-8-7-10-3-2-4-12-15(10)14(19)9-11-5-6-13(18)17(20)16(11)12/h2-6,14,20H,7-9H2,1H3/t14-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 664n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat Dopamine receptor D2 by [3H]-spiperone displacement.


J Med Chem 33: 600-7 (1990)


BindingDB Entry DOI: 10.7270/Q2XS5TCP
More data for this
Ligand-Target Pair