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PubMed code 11123996

Compile data set for download or QSAR
Found 21 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50094798
PNG
(CHEMBL543688 | [3-(3,4-Dichloro-phenyl)-6-methoxy-...)
Show SMILES CN[C@@H]1CC(c2ccc(OC)cc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H17Cl2NO/c1-20-17-9-13(10-3-6-15(18)16(19)7-10)12-5-4-11(21-2)8-14(12)17/h3-8,13,17,20H,9H2,1-2H3/t13?,17-/m1/s1
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 1.10n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity for serotonin transporter labeled with [125 I]RTI-55

J Med Chem 43: 4868-76 (2000)


BindingDB Entry DOI: 10.7270/Q2639QD0
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50094791
PNG
(CHEMBL542500 | [3-(3,4-Dichloro-phenyl)-4-methoxy-...)
Show SMILES CN[C@@H]1CC(c2c1cccc2OC)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H17Cl2NO/c1-20-15-9-12(10-6-7-13(18)14(19)8-10)17-11(15)4-3-5-16(17)21-2/h3-8,12,15,20H,9H2,1-2H3/t12?,15-/m1/s1
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 1.70n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity for dopamine transporter (DAT) labeled with [125 I]RTI-55

J Med Chem 43: 4868-76 (2000)


BindingDB Entry DOI: 10.7270/Q2639QD0
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50094793
PNG
(CHEMBL541605 | [3-(3,4-Dichloro-phenyl)-5,6-dimeth...)
Show SMILES CN[C@@H]1CC(c2cc(OC)c(OC)cc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C18H19Cl2NO2/c1-21-16-7-11(10-4-5-14(19)15(20)6-10)12-8-17(22-2)18(23-3)9-13(12)16/h4-6,8-9,11,16,21H,7H2,1-3H3/t11?,16-/m1/s1
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 3.60n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity for dopamine transporter (DAT) labeled with [125 I]RTI-55

J Med Chem 43: 4868-76 (2000)


BindingDB Entry DOI: 10.7270/Q2639QD0
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50094795
PNG
(CHEMBL545559 | [3-(3,4-Dichloro-2-methoxy-phenyl)-...)
Show SMILES CN[C@@H]1CC(c2ccc(OC)cc12)c1ccc(Cl)c(Cl)c1OC
Show InChI InChI=1S/C18H19Cl2NO2/c1-21-16-9-13(11-5-4-10(22-2)8-14(11)16)12-6-7-15(19)17(20)18(12)23-3/h4-8,13,16,21H,9H2,1-3H3/t13?,16-/m1/s1
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 5.60n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity for serotonin transporter labeled with [125 I]RTI-55

J Med Chem 43: 4868-76 (2000)


BindingDB Entry DOI: 10.7270/Q2639QD0
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50094792
PNG
(CHEMBL543449 | [3-(3,4-Dichloro-phenyl)-5-methoxy-...)
Show SMILES CN[C@@H]1CC(c2cc(OC)ccc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H17Cl2NO/c1-20-17-9-13(10-3-6-15(18)16(19)7-10)14-8-11(21-2)4-5-12(14)17/h3-8,13,17,20H,9H2,1-2H3/t13?,17-/m1/s1
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 6.5n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity for serotonin transporter labeled with [125 I]RTI-55

J Med Chem 43: 4868-76 (2000)


BindingDB Entry DOI: 10.7270/Q2639QD0
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50094794
PNG
(1-(3,4-Dichloro-phenyl)-5-methoxy-3-methylamino-in...)
Show SMILES CN[C@@H]1[C@@H](O)C(c2ccc(OC)cc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H17Cl2NO2/c1-20-16-12-8-10(22-2)4-5-11(12)15(17(16)21)9-3-6-13(18)14(19)7-9/h3-8,15-17,20-21H,1-2H3/t15?,16-,17-/m0/s1
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 8.10n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity for serotonin transporter labeled with [125 I]RTI-55

J Med Chem 43: 4868-76 (2000)


BindingDB Entry DOI: 10.7270/Q2639QD0
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50094792
PNG
(CHEMBL543449 | [3-(3,4-Dichloro-phenyl)-5-methoxy-...)
Show SMILES CN[C@@H]1CC(c2cc(OC)ccc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H17Cl2NO/c1-20-17-9-13(10-3-6-15(18)16(19)7-10)14-8-11(21-2)4-5-12(14)17/h3-8,13,17,20H,9H2,1-2H3/t13?,17-/m1/s1
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 9.40n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity for dopamine transporter (DAT) labeled with [125 I]RTI-55

J Med Chem 43: 4868-76 (2000)


BindingDB Entry DOI: 10.7270/Q2639QD0
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50094798
PNG
(CHEMBL543688 | [3-(3,4-Dichloro-phenyl)-6-methoxy-...)
Show SMILES CN[C@@H]1CC(c2ccc(OC)cc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H17Cl2NO/c1-20-17-9-13(10-3-6-15(18)16(19)7-10)12-5-4-11(21-2)8-14(12)17/h3-8,13,17,20H,9H2,1-2H3/t13?,17-/m1/s1
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 11.6n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity for dopamine transporter (DAT) labeled with [125 I]RTI-55

J Med Chem 43: 4868-76 (2000)


BindingDB Entry DOI: 10.7270/Q2639QD0
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50094798
PNG
(CHEMBL543688 | [3-(3,4-Dichloro-phenyl)-6-methoxy-...)
Show SMILES CN[C@@H]1CC(c2ccc(OC)cc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H17Cl2NO/c1-20-17-9-13(10-3-6-15(18)16(19)7-10)12-5-4-11(21-2)8-14(12)17/h3-8,13,17,20H,9H2,1-2H3/t13?,17-/m1/s1
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 15n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity for norepinephrine transporter (NET) labeled with [3H]nisoxetine

J Med Chem 43: 4868-76 (2000)


BindingDB Entry DOI: 10.7270/Q2639QD0
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50094791
PNG
(CHEMBL542500 | [3-(3,4-Dichloro-phenyl)-4-methoxy-...)
Show SMILES CN[C@@H]1CC(c2c1cccc2OC)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H17Cl2NO/c1-20-15-9-12(10-6-7-13(18)14(19)8-10)17-11(15)4-3-5-16(17)21-2/h3-8,12,15,20H,9H2,1-2H3/t12?,15-/m1/s1
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 27n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity for norepinephrine transporter (NET) labeled with [3H]nisoxetine

J Med Chem 43: 4868-76 (2000)


BindingDB Entry DOI: 10.7270/Q2639QD0
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50094796
PNG
(CHEMBL541602 | [3-(3,4-Dichloro-phenyl)-7-methoxy-...)
Show SMILES CN[C@@H]1CC(c2cccc(OC)c12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H17Cl2NO/c1-20-15-9-12(10-6-7-13(18)14(19)8-10)11-4-3-5-16(21-2)17(11)15/h3-8,12,15,20H,9H2,1-2H3/t12?,15-/m1/s1
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 32n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity for dopamine transporter (DAT) labeled with [125 I]RTI-55

J Med Chem 43: 4868-76 (2000)


BindingDB Entry DOI: 10.7270/Q2639QD0
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50094793
PNG
(CHEMBL541605 | [3-(3,4-Dichloro-phenyl)-5,6-dimeth...)
Show SMILES CN[C@@H]1CC(c2cc(OC)c(OC)cc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C18H19Cl2NO2/c1-21-16-7-11(10-4-5-14(19)15(20)6-10)12-8-17(22-2)18(23-3)9-13(12)16/h4-6,8-9,11,16,21H,7H2,1-3H3/t11?,16-/m1/s1
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 61n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity for serotonin transporter labeled with [125 I]RTI-55

J Med Chem 43: 4868-76 (2000)


BindingDB Entry DOI: 10.7270/Q2639QD0
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50094791
PNG
(CHEMBL542500 | [3-(3,4-Dichloro-phenyl)-4-methoxy-...)
Show SMILES CN[C@@H]1CC(c2c1cccc2OC)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H17Cl2NO/c1-20-15-9-12(10-6-7-13(18)14(19)8-10)17-11(15)4-3-5-16(17)21-2/h3-8,12,15,20H,9H2,1-2H3/t12?,15-/m1/s1
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 63n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity for serotonin transporter labeled with [125 I]RTI-55

J Med Chem 43: 4868-76 (2000)


BindingDB Entry DOI: 10.7270/Q2639QD0
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50094792
PNG
(CHEMBL543449 | [3-(3,4-Dichloro-phenyl)-5-methoxy-...)
Show SMILES CN[C@@H]1CC(c2cc(OC)ccc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H17Cl2NO/c1-20-17-9-13(10-3-6-15(18)16(19)7-10)14-8-11(21-2)4-5-12(14)17/h3-8,13,17,20H,9H2,1-2H3/t13?,17-/m1/s1
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 76.5n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity for norepinephrine transporter (NET) labeled with [3H]nisoxetine

J Med Chem 43: 4868-76 (2000)


BindingDB Entry DOI: 10.7270/Q2639QD0
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50094796
PNG
(CHEMBL541602 | [3-(3,4-Dichloro-phenyl)-7-methoxy-...)
Show SMILES CN[C@@H]1CC(c2cccc(OC)c12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H17Cl2NO/c1-20-15-9-12(10-6-7-13(18)14(19)8-10)11-4-3-5-16(21-2)17(11)15/h3-8,12,15,20H,9H2,1-2H3/t12?,15-/m1/s1
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 93n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity for norepinephrine transporter (NET) labeled with [3H]nisoxetine

J Med Chem 43: 4868-76 (2000)


BindingDB Entry DOI: 10.7270/Q2639QD0
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50094793
PNG
(CHEMBL541605 | [3-(3,4-Dichloro-phenyl)-5,6-dimeth...)
Show SMILES CN[C@@H]1CC(c2cc(OC)c(OC)cc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C18H19Cl2NO2/c1-21-16-7-11(10-4-5-14(19)15(20)6-10)12-8-17(22-2)18(23-3)9-13(12)16/h4-6,8-9,11,16,21H,7H2,1-3H3/t11?,16-/m1/s1
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 102n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity for norepinephrine transporter (NET) labeled with [3H]nisoxetine

J Med Chem 43: 4868-76 (2000)


BindingDB Entry DOI: 10.7270/Q2639QD0
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50094796
PNG
(CHEMBL541602 | [3-(3,4-Dichloro-phenyl)-7-methoxy-...)
Show SMILES CN[C@@H]1CC(c2cccc(OC)c12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H17Cl2NO/c1-20-15-9-12(10-6-7-13(18)14(19)8-10)11-4-3-5-16(21-2)17(11)15/h3-8,12,15,20H,9H2,1-2H3/t12?,15-/m1/s1
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 108n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity for serotonin transporter labeled with [125 I]RTI-55

J Med Chem 43: 4868-76 (2000)


BindingDB Entry DOI: 10.7270/Q2639QD0
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50094795
PNG
(CHEMBL545559 | [3-(3,4-Dichloro-2-methoxy-phenyl)-...)
Show SMILES CN[C@@H]1CC(c2ccc(OC)cc12)c1ccc(Cl)c(Cl)c1OC
Show InChI InChI=1S/C18H19Cl2NO2/c1-21-16-9-13(11-5-4-10(22-2)8-14(11)16)12-6-7-15(19)17(20)18(12)23-3/h4-8,13,16,21H,9H2,1-3H3/t13?,16-/m1/s1
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 122n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity for norepinephrine transporter (NET) labeled with [3H]nisoxetine

J Med Chem 43: 4868-76 (2000)


BindingDB Entry DOI: 10.7270/Q2639QD0
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50094795
PNG
(CHEMBL545559 | [3-(3,4-Dichloro-2-methoxy-phenyl)-...)
Show SMILES CN[C@@H]1CC(c2ccc(OC)cc12)c1ccc(Cl)c(Cl)c1OC
Show InChI InChI=1S/C18H19Cl2NO2/c1-21-16-9-13(11-5-4-10(22-2)8-14(11)16)12-6-7-15(19)17(20)18(12)23-3/h4-8,13,16,21H,9H2,1-3H3/t13?,16-/m1/s1
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 788n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity for dopamine transporter (DAT) labeled with [125 I]RTI-55

J Med Chem 43: 4868-76 (2000)


BindingDB Entry DOI: 10.7270/Q2639QD0
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50094794
PNG
(1-(3,4-Dichloro-phenyl)-5-methoxy-3-methylamino-in...)
Show SMILES CN[C@@H]1[C@@H](O)C(c2ccc(OC)cc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H17Cl2NO2/c1-20-16-12-8-10(22-2)4-5-11(12)15(17(16)21)9-3-6-13(18)14(19)7-9/h3-8,15-17,20-21H,1-2H3/t15?,16-,17-/m0/s1
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 1.13E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity for dopamine transporter (DAT) labeled with [125 I]RTI-55

J Med Chem 43: 4868-76 (2000)


BindingDB Entry DOI: 10.7270/Q2639QD0
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50094794
PNG
(1-(3,4-Dichloro-phenyl)-5-methoxy-3-methylamino-in...)
Show SMILES CN[C@@H]1[C@@H](O)C(c2ccc(OC)cc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H17Cl2NO2/c1-20-16-12-8-10(22-2)4-5-11(12)15(17(16)21)9-3-6-13(18)14(19)7-9/h3-8,15-17,20-21H,1-2H3/t15?,16-,17-/m0/s1
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 1.69E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity for norepinephrine transporter (NET) labeled with [3H]nisoxetine

J Med Chem 43: 4868-76 (2000)


BindingDB Entry DOI: 10.7270/Q2639QD0
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%