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BDBM50095611 CHEMBL356750::[3-(3,4-Dichloro-phenyl)-indan-1-yl]-dimethyl-amine;hydrogen maleate::[3-(3,4-Dichloro-phenyl)-indan-1-yl]-ethyl-amine;chloride::tert-Butyl-[3-(3,4-dichloro-phenyl)-indan-1-yl]-amine;chloride

SMILES: CN(C)[C@@H]1C[C@H](c2ccccc12)c1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=UNCBFTIAWJTNTF-WMLDXEAASA-N

Data: 12 KI

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 12 hits for monomerid = 50095611   
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 serotonin transporter


(Homo sapiens (human))
BDBM50095611
PNG
(CHEMBL356750 | [3-(3,4-Dichloro-phenyl)-indan-1-yl...)
Show SMILES CN(C)[C@@H]1C[C@H](c2ccccc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H17Cl2N/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/t14-,17+/m0/s1
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0.0600n/an/an/an/an/an/an/an/a



Pharm-Eco Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against cloned serotonin human transporter using 40-80 PM [125I]RTI


J Med Chem 43: 4981-92 (2001)


Article DOI: 10.1021/jm000201d
BindingDB Entry DOI: 10.7270/Q2SX6DXD
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50095611
PNG
(CHEMBL356750 | [3-(3,4-Dichloro-phenyl)-indan-1-yl...)
Show SMILES CN(C)[C@@H]1C[C@H](c2ccccc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H17Cl2N/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/t14-,17+/m0/s1
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3.60n/an/an/an/an/an/an/an/a



Pharm-Eco Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against cloned serotonin human transporter using 40-80 PM [125I]RTI


J Med Chem 43: 4981-92 (2001)


Article DOI: 10.1021/jm000201d
BindingDB Entry DOI: 10.7270/Q2SX6DXD
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50095611
PNG
(CHEMBL356750 | [3-(3,4-Dichloro-phenyl)-indan-1-yl...)
Show SMILES CN(C)[C@@H]1C[C@H](c2ccccc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H17Cl2N/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/t14-,17+/m0/s1
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6.30n/an/an/an/an/an/an/an/a



Pharm-Eco Laboratories

Curated by ChEMBL


Assay Description
Inhibition of reuptake of [3H]5-HT (20 nM) by serotonin transporter


J Med Chem 43: 4981-92 (2001)


Article DOI: 10.1021/jm000201d
BindingDB Entry DOI: 10.7270/Q2SX6DXD
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50095611
PNG
(CHEMBL356750 | [3-(3,4-Dichloro-phenyl)-indan-1-yl...)
Show SMILES CN(C)[C@@H]1C[C@H](c2ccccc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H17Cl2N/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/t14-,17+/m0/s1
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8.70n/an/an/an/an/an/an/an/a



Pharm-Eco Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against cloned human dopamine transporter using 40-80 pM [125I]RTI.


J Med Chem 43: 4981-92 (2001)


Article DOI: 10.1021/jm000201d
BindingDB Entry DOI: 10.7270/Q2SX6DXD
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50095611
PNG
(CHEMBL356750 | [3-(3,4-Dichloro-phenyl)-indan-1-yl...)
Show SMILES CN(C)[C@@H]1C[C@H](c2ccccc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H17Cl2N/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/t14-,17+/m0/s1
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21n/an/an/an/an/an/an/an/a



Pharm-Eco Laboratories

Curated by ChEMBL


Assay Description
Inhibition of reuptake of [3H]-NE (20 nM) by norepinephrine transporter


J Med Chem 43: 4981-92 (2001)


Article DOI: 10.1021/jm000201d
BindingDB Entry DOI: 10.7270/Q2SX6DXD
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50095611
PNG
(CHEMBL356750 | [3-(3,4-Dichloro-phenyl)-indan-1-yl...)
Show SMILES CN(C)[C@@H]1C[C@H](c2ccccc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H17Cl2N/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/t14-,17+/m0/s1
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38n/an/an/an/an/an/an/an/a



Pharm-Eco Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against cloned human dopamine transporter using 40-80 pM [125I]RTI.


J Med Chem 43: 4981-92 (2001)


Article DOI: 10.1021/jm000201d
BindingDB Entry DOI: 10.7270/Q2SX6DXD
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50095611
PNG
(CHEMBL356750 | [3-(3,4-Dichloro-phenyl)-indan-1-yl...)
Show SMILES CN(C)[C@@H]1C[C@H](c2ccccc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H17Cl2N/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/t14-,17+/m0/s1
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52n/an/an/an/an/an/an/an/a



Pharm-Eco Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against norepinephrine cloned human transporter using 40-80 pM [125I]RTI


J Med Chem 43: 4981-92 (2001)


Article DOI: 10.1021/jm000201d
BindingDB Entry DOI: 10.7270/Q2SX6DXD
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50095611
PNG
(CHEMBL356750 | [3-(3,4-Dichloro-phenyl)-indan-1-yl...)
Show SMILES CN(C)[C@@H]1C[C@H](c2ccccc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H17Cl2N/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/t14-,17+/m0/s1
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120n/an/an/an/an/an/an/an/a



Pharm-Eco Laboratories

Curated by ChEMBL


Assay Description
Inhibition of reuptake of [3H]DA (20 nM) by dopamine transporter


J Med Chem 43: 4981-92 (2001)


Article DOI: 10.1021/jm000201d
BindingDB Entry DOI: 10.7270/Q2SX6DXD
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50095611
PNG
(CHEMBL356750 | [3-(3,4-Dichloro-phenyl)-indan-1-yl...)
Show SMILES CN(C)[C@@H]1C[C@H](c2ccccc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H17Cl2N/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/t14-,17+/m0/s1
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130n/an/an/an/an/an/an/an/a



Pharm-Eco Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against norepinephrine cloned human transporter using 40-80 pM [125I]RTI


J Med Chem 43: 4981-92 (2001)


Article DOI: 10.1021/jm000201d
BindingDB Entry DOI: 10.7270/Q2SX6DXD
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50095611
PNG
(CHEMBL356750 | [3-(3,4-Dichloro-phenyl)-indan-1-yl...)
Show SMILES CN(C)[C@@H]1C[C@H](c2ccccc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H17Cl2N/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/t14-,17+/m0/s1
PDB

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130n/an/an/an/an/an/an/an/a



Pharm-Eco Laboratories

Curated by ChEMBL


Assay Description
Inhibition of reuptake of [3H]5-HT (20 nM) by serotonin transporter


J Med Chem 43: 4981-92 (2001)


Article DOI: 10.1021/jm000201d
BindingDB Entry DOI: 10.7270/Q2SX6DXD
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50095611
PNG
(CHEMBL356750 | [3-(3,4-Dichloro-phenyl)-indan-1-yl...)
Show SMILES CN(C)[C@@H]1C[C@H](c2ccccc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H17Cl2N/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/t14-,17+/m0/s1
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130n/an/an/an/an/an/an/an/a



Pharm-Eco Laboratories

Curated by ChEMBL


Assay Description
Inhibition of reuptake of [3H]-NE (20 nM) by norepinephrine transporter


J Med Chem 43: 4981-92 (2001)


Article DOI: 10.1021/jm000201d
BindingDB Entry DOI: 10.7270/Q2SX6DXD
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50095611
PNG
(CHEMBL356750 | [3-(3,4-Dichloro-phenyl)-indan-1-yl...)
Show SMILES CN(C)[C@@H]1C[C@H](c2ccccc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H17Cl2N/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/t14-,17+/m0/s1
NCI pathway
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650n/an/an/an/an/an/an/an/a



Pharm-Eco Laboratories

Curated by ChEMBL


Assay Description
Inhibition of reuptake of [3H]DA (20 nM) by dopamine transporter


J Med Chem 43: 4981-92 (2001)


Article DOI: 10.1021/jm000201d
BindingDB Entry DOI: 10.7270/Q2SX6DXD
More data for this
Ligand-Target Pair