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SMILES: Oc1cc2CC[C@@H]3NCc4sc(Cl)cc4[C@H]3c2cc1O

InChI Key: InChIKey=LBAJYRVVNVZIJA-ZUZCIYMTSA-N

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 3 hits for monomerid = 50057848   
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)
BDBM50057848
PNG
((5aS,11bR)-2-Chloro-4,5,5a,6,7,11b-hexahydro-3-thi...)
Show SMILES Oc1cc2CC[C@@H]3NCc4sc(Cl)cc4[C@H]3c2cc1O
Show InChI InChI=1S/C15H14ClNO2S/c16-14-5-9-13(20-14)6-17-10-2-1-7-3-11(18)12(19)4-8(7)15(9)10/h3-5,10,15,17-19H,1-2,6H2/t10-,15+/m0/s1
PDB

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PC cid
PC sid
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Article
PubMed
12n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D1 like from rat caudate membrane using [125I]-SCH as radioligand


J Med Chem 40: 1585-99 (1997)


Article DOI: 10.1021/jm970038v
BindingDB Entry DOI: 10.7270/Q2Z89D2B
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50057848
PNG
((5aS,11bR)-2-Chloro-4,5,5a,6,7,11b-hexahydro-3-thi...)
Show SMILES Oc1cc2CC[C@@H]3NCc4sc(Cl)cc4[C@H]3c2cc1O
Show InChI InChI=1S/C15H14ClNO2S/c16-14-5-9-13(20-14)6-17-10-2-1-7-3-11(18)12(19)4-8(7)15(9)10/h3-5,10,15,17-19H,1-2,6H2/t10-,15+/m0/s1
PDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
300n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D2 like from rat caudate membrane using [3H]-spiperone as radioligand


J Med Chem 40: 1585-99 (1997)


Article DOI: 10.1021/jm970038v
BindingDB Entry DOI: 10.7270/Q2Z89D2B
More data for this
Ligand-Target Pair
D(1) dopamine receptor


(Carassius auratus)
BDBM50057848
PNG
((5aS,11bR)-2-Chloro-4,5,5a,6,7,11b-hexahydro-3-thi...)
Show SMILES Oc1cc2CC[C@@H]3NCc4sc(Cl)cc4[C@H]3c2cc1O
Show InChI InChI=1S/C15H14ClNO2S/c16-14-5-9-13(20-14)6-17-10-2-1-7-3-11(18)12(19)4-8(7)15(9)10/h3-5,10,15,17-19H,1-2,6H2/t10-,15+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to stimulate the Dopamine receptor D1 like was assayed by measuring cAMP production in cell free homogenates of goldfish retinal tissue


J Med Chem 40: 1585-99 (1997)


Article DOI: 10.1021/jm970038v
BindingDB Entry DOI: 10.7270/Q2Z89D2B
More data for this
Ligand-Target Pair