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BDBM50118272 5-(4-Chloro-phenyl)-9-fluoro-2,5-dihydro-3H-imidazo[2,1-a]isoindol-5-ol::CHEMBL336100

SMILES: OC1(N2CCN=C2c2c1cccc2F)c1ccc(Cl)cc1

InChI Key: InChIKey=AAADQEFQWNJHOZ-UHFFFAOYSA-N

Data: 3 KI  4 IC50

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 = 50118272   
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
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50118272
PNG
(5-(4-Chloro-phenyl)-9-fluoro-2,5-dihydro-3H-imidaz...)
Show SMILES OC1(N2CCN=C2c2c1cccc2F)c1ccc(Cl)cc1 |c:5|
Show InChI InChI=1S/C16H12ClFN2O/c17-11-6-4-10(5-7-11)16(21)12-2-1-3-13(18)14(12)15-19-8-9-20(15)16/h1-7,21H,8-9H2
Reactome pathway
KEGG

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PC cid
PC sid
UniChem
PubMed
0.900n/an/an/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from human Norepinephrine transporter expressed in HEK cells


J Med Chem 45: 4097-109 (2002)


BindingDB Entry DOI: 10.7270/Q2MC90R8
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50118272
PNG
(5-(4-Chloro-phenyl)-9-fluoro-2,5-dihydro-3H-imidaz...)
Show SMILES OC1(N2CCN=C2c2c1cccc2F)c1ccc(Cl)cc1 |c:5|
Show InChI InChI=1S/C16H12ClFN2O/c17-11-6-4-10(5-7-11)16(21)12-2-1-3-13(18)14(12)15-19-8-9-20(15)16/h1-7,21H,8-9H2
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
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CHEMBL
PC cid
PC sid
UniChem
PubMed
23.1n/an/an/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Displacement of [125I]- RTI-55 from Dopamine transporter expressed in HEK cells


J Med Chem 45: 4097-109 (2002)


BindingDB Entry DOI: 10.7270/Q2MC90R8
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50118272
PNG
(5-(4-Chloro-phenyl)-9-fluoro-2,5-dihydro-3H-imidaz...)
Show SMILES OC1(N2CCN=C2c2c1cccc2F)c1ccc(Cl)cc1 |c:5|
Show InChI InChI=1S/C16H12ClFN2O/c17-11-6-4-10(5-7-11)16(21)12-2-1-3-13(18)14(12)15-19-8-9-20(15)16/h1-7,21H,8-9H2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
38.1n/an/an/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Displacement of [125I]- RTI-55 from Serotonin transporter expressed in HEK cells


J Med Chem 45: 4097-109 (2002)


BindingDB Entry DOI: 10.7270/Q2MC90R8
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50118272
PNG
(5-(4-Chloro-phenyl)-9-fluoro-2,5-dihydro-3H-imidaz...)
Show SMILES OC1(N2CCN=C2c2c1cccc2F)c1ccc(Cl)cc1 |c:5|
Show InChI InChI=1S/C16H12ClFN2O/c17-11-6-4-10(5-7-11)16(21)12-2-1-3-13(18)14(12)15-19-8-9-20(15)16/h1-7,21H,8-9H2
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 12.3n/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from Dopamine Transporter of guinea pig striatal membrane


J Med Chem 45: 4097-109 (2002)


BindingDB Entry DOI: 10.7270/Q2MC90R8
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50118272
PNG
(5-(4-Chloro-phenyl)-9-fluoro-2,5-dihydro-3H-imidaz...)
Show SMILES OC1(N2CCN=C2c2c1cccc2F)c1ccc(Cl)cc1 |c:5|
Show InChI InChI=1S/C16H12ClFN2O/c17-11-6-4-10(5-7-11)16(21)12-2-1-3-13(18)14(12)15-19-8-9-20(15)16/h1-7,21H,8-9H2
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 91n/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Inhibition of dopamine uptake in HEK cells expressing human dopamine transporter (hDAT)


J Med Chem 45: 4097-109 (2002)


BindingDB Entry DOI: 10.7270/Q2MC90R8
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50118272
PNG
(5-(4-Chloro-phenyl)-9-fluoro-2,5-dihydro-3H-imidaz...)
Show SMILES OC1(N2CCN=C2c2c1cccc2F)c1ccc(Cl)cc1 |c:5|
Show InChI InChI=1S/C16H12ClFN2O/c17-11-6-4-10(5-7-11)16(21)12-2-1-3-13(18)14(12)15-19-8-9-20(15)16/h1-7,21H,8-9H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 5n/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Inhibition of NE uptake in HEK cells expressing human noradrenaline transporter (hNET)


J Med Chem 45: 4097-109 (2002)


BindingDB Entry DOI: 10.7270/Q2MC90R8
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50118272
PNG
(5-(4-Chloro-phenyl)-9-fluoro-2,5-dihydro-3H-imidaz...)
Show SMILES OC1(N2CCN=C2c2c1cccc2F)c1ccc(Cl)cc1 |c:5|
Show InChI InChI=1S/C16H12ClFN2O/c17-11-6-4-10(5-7-11)16(21)12-2-1-3-13(18)14(12)15-19-8-9-20(15)16/h1-7,21H,8-9H2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 129n/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Inhibition of 5-HT uptake in HEK cells expressing human serotonin transporter (hSERT)


J Med Chem 45: 4097-109 (2002)


BindingDB Entry DOI: 10.7270/Q2MC90R8
More data for this
Ligand-Target Pair