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SMILES: CN(C)C1CC(c2ccccc12)c1ccc(F)c(F)c1

InChI Key: InChIKey=AQPODZLKHFVDGO-UHFFFAOYSA-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 6 hits for monomerid = 50021231   
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
Transporter


(Rattus norvegicus)
BDBM50021231
PNG
(CHEMBL545435 | [3-(3,4-Difluoro-phenyl)-indan-1-yl...)
Show SMILES CN(C)C1CC(c2ccccc12)c1ccc(F)c(F)c1
Show InChI InChI=1S/C17H17F2N/c1-20(2)17-10-14(12-5-3-4-6-13(12)17)11-7-8-15(18)16(19)9-11/h3-9,14,17H,10H2,1-2H3
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UniProtKB/TrEMBL

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PC cid
PC sid
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PubMed
n/an/a 29n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of noradrenaline uptake in rat synaptosomal fraction


J Med Chem 28: 1817-28 (1986)


BindingDB Entry DOI: 10.7270/Q29W0G1M
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50021231
PNG
(CHEMBL545435 | [3-(3,4-Difluoro-phenyl)-indan-1-yl...)
Show SMILES CN(C)C1CC(c2ccccc12)c1ccc(F)c(F)c1
Show InChI InChI=1S/C17H17F2N/c1-20(2)17-10-14(12-5-3-4-6-13(12)17)11-7-8-15(18)16(19)9-11/h3-9,14,17H,10H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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PubMed
n/an/a 1.30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of 5-HT uptake in rat synaptosomal fraction


J Med Chem 28: 1817-28 (1986)


BindingDB Entry DOI: 10.7270/Q29W0G1M
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50021231
PNG
(CHEMBL545435 | [3-(3,4-Difluoro-phenyl)-indan-1-yl...)
Show SMILES CN(C)C1CC(c2ccccc12)c1ccc(F)c(F)c1
Show InChI InChI=1S/C17H17F2N/c1-20(2)17-10-14(12-5-3-4-6-13(12)17)11-7-8-15(18)16(19)9-11/h3-9,14,17H,10H2,1-2H3
Reactome pathway
KEGG

UniProtKB/TrEMBL

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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 62n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of noradrenaline uptake in rat synaptosomal fraction


J Med Chem 28: 1817-28 (1986)


BindingDB Entry DOI: 10.7270/Q29W0G1M
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50021231
PNG
(CHEMBL545435 | [3-(3,4-Difluoro-phenyl)-indan-1-yl...)
Show SMILES CN(C)C1CC(c2ccccc12)c1ccc(F)c(F)c1
Show InChI InChI=1S/C17H17F2N/c1-20(2)17-10-14(12-5-3-4-6-13(12)17)11-7-8-15(18)16(19)9-11/h3-9,14,17H,10H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of 5-HT uptake in rat synaptosomal fraction


J Med Chem 28: 1817-28 (1986)


BindingDB Entry DOI: 10.7270/Q29W0G1M
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50021231
PNG
(CHEMBL545435 | [3-(3,4-Difluoro-phenyl)-indan-1-yl...)
Show SMILES CN(C)C1CC(c2ccccc12)c1ccc(F)c(F)c1
Show InChI InChI=1S/C17H17F2N/c1-20(2)17-10-14(12-5-3-4-6-13(12)17)11-7-8-15(18)16(19)9-11/h3-9,14,17H,10H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 250n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of dopamine uptake in rat synaptosomal fraction


J Med Chem 28: 1817-28 (1986)


BindingDB Entry DOI: 10.7270/Q29W0G1M
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50021231
PNG
(CHEMBL545435 | [3-(3,4-Difluoro-phenyl)-indan-1-yl...)
Show SMILES CN(C)C1CC(c2ccccc12)c1ccc(F)c(F)c1
Show InChI InChI=1S/C17H17F2N/c1-20(2)17-10-14(12-5-3-4-6-13(12)17)11-7-8-15(18)16(19)9-11/h3-9,14,17H,10H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 180n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of dopamine uptake in rat synaptosomal fraction


J Med Chem 28: 1817-28 (1986)


BindingDB Entry DOI: 10.7270/Q29W0G1M
More data for this
Ligand-Target Pair