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BDBM50446927 CHEMBL3115579

SMILES: Oc1ccc2CC[C@H](CNCc3ccc(OCCCCF)cc3)Oc2c1

InChI Key: InChIKey=SJWQSMJRDZSNPL-HXUWFJFHSA-N

Data: 6 KI  1 EC50

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 7 hits for monomerid = 50446927   
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(2) dopamine receptor


(Homo sapiens (Human))
BDBM50446927
PNG
(CHEMBL3115579)
Show SMILES Oc1ccc2CC[C@H](CNCc3ccc(OCCCCF)cc3)Oc2c1 |r|
Show InChI InChI=1S/C21H26FNO3/c22-11-1-2-12-25-19-8-3-16(4-9-19)14-23-15-20-10-6-17-5-7-18(24)13-21(17)26-20/h3-5,7-9,13,20,23-24H,1-2,6,10-12,14-15H2/t20-/m1/s1
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5.5n/an/an/an/an/an/an/an/a



University of Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from high-affinity state of human dopamine D2L receptor transfected in HEK293 cells after 2 hrs by scintillation counti...


J Med Chem 57: 391-410 (2014)


Article DOI: 10.1021/jm401384w
BindingDB Entry DOI: 10.7270/Q2WS8VQD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50446927
PNG
(CHEMBL3115579)
Show SMILES Oc1ccc2CC[C@H](CNCc3ccc(OCCCCF)cc3)Oc2c1 |r|
Show InChI InChI=1S/C21H26FNO3/c22-11-1-2-12-25-19-8-3-16(4-9-19)14-23-15-20-10-6-17-5-7-18(24)13-21(17)26-20/h3-5,7-9,13,20,23-24H,1-2,6,10-12,14-15H2/t20-/m1/s1
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5.60n/an/an/an/an/an/an/an/a



University of Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from high-affinity state of human dopamine D2L receptor transfected in HEK293 cells after 2 hrs by scintillation counti...


J Med Chem 57: 391-410 (2014)


Article DOI: 10.1021/jm401384w
BindingDB Entry DOI: 10.7270/Q2WS8VQD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50446927
PNG
(CHEMBL3115579)
Show SMILES Oc1ccc2CC[C@H](CNCc3ccc(OCCCCF)cc3)Oc2c1 |r|
Show InChI InChI=1S/C21H26FNO3/c22-11-1-2-12-25-19-8-3-16(4-9-19)14-23-15-20-10-6-17-5-7-18(24)13-21(17)26-20/h3-5,7-9,13,20,23-24H,1-2,6,10-12,14-15H2/t20-/m1/s1
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62n/an/an/an/an/an/an/an/a



University of Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from low-affinity state of human dopamine D2L receptor transfected in HEK293 cells after 2 hrs by scintillation countin...


J Med Chem 57: 391-410 (2014)


Article DOI: 10.1021/jm401384w
BindingDB Entry DOI: 10.7270/Q2WS8VQD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50446927
PNG
(CHEMBL3115579)
Show SMILES Oc1ccc2CC[C@H](CNCc3ccc(OCCCCF)cc3)Oc2c1 |r|
Show InChI InChI=1S/C21H26FNO3/c22-11-1-2-12-25-19-8-3-16(4-9-19)14-23-15-20-10-6-17-5-7-18(24)13-21(17)26-20/h3-5,7-9,13,20,23-24H,1-2,6,10-12,14-15H2/t20-/m1/s1
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81n/an/an/an/an/an/an/an/a



University of Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from low-affinity state of human dopamine D2L receptor transfected in HEK293 cells after 2 hrs by scintillation countin...


J Med Chem 57: 391-410 (2014)


Article DOI: 10.1021/jm401384w
BindingDB Entry DOI: 10.7270/Q2WS8VQD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50446927
PNG
(CHEMBL3115579)
Show SMILES Oc1ccc2CC[C@H](CNCc3ccc(OCCCCF)cc3)Oc2c1 |r|
Show InChI InChI=1S/C21H26FNO3/c22-11-1-2-12-25-19-8-3-16(4-9-19)14-23-15-20-10-6-17-5-7-18(24)13-21(17)26-20/h3-5,7-9,13,20,23-24H,1-2,6,10-12,14-15H2/t20-/m1/s1
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91n/an/an/an/an/an/an/an/a



University of Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from low-affinity state of human dopamine D2S receptor transfected in HEK293 cells after 2 hrs by scintillation countin...


J Med Chem 57: 391-410 (2014)


Article DOI: 10.1021/jm401384w
BindingDB Entry DOI: 10.7270/Q2WS8VQD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50446927
PNG
(CHEMBL3115579)
Show SMILES Oc1ccc2CC[C@H](CNCc3ccc(OCCCCF)cc3)Oc2c1 |r|
Show InChI InChI=1S/C21H26FNO3/c22-11-1-2-12-25-19-8-3-16(4-9-19)14-23-15-20-10-6-17-5-7-18(24)13-21(17)26-20/h3-5,7-9,13,20,23-24H,1-2,6,10-12,14-15H2/t20-/m1/s1
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93n/an/an/an/an/an/an/an/a



University of Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from low-affinity state of human dopamine D2S receptor transfected in HEK293 cells after 2 hrs by scintillation countin...


J Med Chem 57: 391-410 (2014)


Article DOI: 10.1021/jm401384w
BindingDB Entry DOI: 10.7270/Q2WS8VQD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50446927
PNG
(CHEMBL3115579)
Show SMILES Oc1ccc2CC[C@H](CNCc3ccc(OCCCCF)cc3)Oc2c1 |r|
Show InChI InChI=1S/C21H26FNO3/c22-11-1-2-12-25-19-8-3-16(4-9-19)14-23-15-20-10-6-17-5-7-18(24)13-21(17)26-20/h3-5,7-9,13,20,23-24H,1-2,6,10-12,14-15H2/t20-/m1/s1
Reactome pathway
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n/an/an/an/a 0.398n/an/an/an/a



University of Amsterdam

Curated by ChEMBL


Assay Description
Agonist activity at human dopamine D2L receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP accumulation after 30 mins...


J Med Chem 57: 391-410 (2014)


Article DOI: 10.1021/jm401384w
BindingDB Entry DOI: 10.7270/Q2WS8VQD
More data for this
Ligand-Target Pair