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Compile Data Set for Download or QSAR

Found 165 hits with Last Name = 'jayaraman' and Initial = 'm'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50102589
PNG
(3-(3,4-Dichloro-phenyl)-7-hydroxy-8-methyl-8-aza-b...)
Show SMILES COC(=O)C1C2[C@H](O)C[C@H](CC1c1ccc(Cl)c(Cl)c1)N2C
Show InChI InChI=1S/C16H19Cl2NO3/c1-19-9-6-10(8-3-4-11(17)12(18)5-8)14(16(21)22-2)15(19)13(20)7-9/h3-5,9-10,13-15,20H,6-7H2,1-2H3/t9-,10?,13+,14?,15?/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



Organix Inc

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 binding to Dopamine transporter in rhesus (Macaca mulatta) or cynomolgus monkey (Macaca fascicularis) caudate-putamen


J Med Chem 44: 2619-35 (2001)


Article DOI: 10.1021/jm0101242
BindingDB Entry DOI: 10.7270/Q2K35VC3
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50035730
PNG
(3-(3,4-Dichloro-phenyl)-8-methyl-8-aza-bicyclo[3.2...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)c(Cl)c1)N2C
Show InChI InChI=1S/C16H19Cl2NO2/c1-19-10-4-6-14(19)15(16(20)21-2)11(8-10)9-3-5-12(17)13(18)7-9/h3,5,7,10-11,14-15H,4,6,8H2,1-2H3
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n/an/a 0.380n/an/an/an/an/an/a



Organix Inc

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 binding to Dopamine transporter in rhesus (Macaca mulatta) or cynomolgus monkey (Macaca fascicularis) caudate-putamen


J Med Chem 44: 2619-35 (2001)


Article DOI: 10.1021/jm0101242
BindingDB Entry DOI: 10.7270/Q2K35VC3
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50063324
PNG
(8-Methyl-3-naphthalen-2-yl-8-aza-bicyclo[3.2.1]oct...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc3ccccc3c1)N2C
Show InChI InChI=1S/C20H23NO2/c1-21-16-9-10-18(21)19(20(22)23-2)17(12-16)15-8-7-13-5-3-4-6-14(13)11-15/h3-8,11,16-19H,9-10,12H2,1-2H3
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n/an/a 0.490n/an/an/an/an/an/a



Organix Inc

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 binding to Dopamine transporter in rhesus (Macaca mulatta) or cynomolgus monkey (Macaca fascicularis) caudate-putamen


J Med Chem 44: 2619-35 (2001)


Article DOI: 10.1021/jm0101242
BindingDB Entry DOI: 10.7270/Q2K35VC3
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50063324
PNG
(8-Methyl-3-naphthalen-2-yl-8-aza-bicyclo[3.2.1]oct...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc3ccccc3c1)N2C
Show InChI InChI=1S/C20H23NO2/c1-21-16-9-10-18(21)19(20(22)23-2)17(12-16)15-8-7-13-5-3-4-6-14(13)11-15/h3-8,11,16-19H,9-10,12H2,1-2H3
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n/an/a 0.570n/an/an/an/an/an/a



Organix Inc

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 binding to Dopamine transporter in rhesus (Macaca mulatta) or cynomolgus monkey (Macaca fascicularis) caudate-putamen


J Med Chem 44: 2619-35 (2001)


Article DOI: 10.1021/jm0101242
BindingDB Entry DOI: 10.7270/Q2K35VC3
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50102564
PNG
(3-(3,4-Dichloro-phenyl)-7-hydroxy-8-methyl-8-aza-b...)
Show SMILES COC(=O)C1C2[C@@H](O)CC(CC1c1ccc(Cl)c(Cl)c1)N2C
Show InChI InChI=1S/C16H19Cl2NO3/c1-19-9-6-10(8-3-4-11(17)12(18)5-8)14(16(21)22-2)15(19)13(20)7-9/h3-5,9-10,13-15,20H,6-7H2,1-2H3/t9?,10?,13-,14?,15?/m0/s1
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n/an/a 0.760n/an/an/an/an/an/a



Organix Inc

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 binding to Dopamine transporter in rhesus (Macaca mulatta) or cynomolgus monkey (Macaca fascicularis) caudate-putamen


J Med Chem 44: 2619-35 (2001)


Article DOI: 10.1021/jm0101242
BindingDB Entry DOI: 10.7270/Q2K35VC3
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50102577
PNG
(3-(3,4-Dichloro-phenyl)-7-hydroxy-8-methyl-8-aza-b...)
Show SMILES CCOC(=O)C1C2[C@H](O)CC(CC1c1ccc(Cl)c(Cl)c1)N2C
Show InChI InChI=1S/C17H21Cl2NO3/c1-3-23-17(22)15-11(9-4-5-12(18)13(19)6-9)7-10-8-14(21)16(15)20(10)2/h4-6,10-11,14-16,21H,3,7-8H2,1-2H3/t10?,11?,14-,15?,16?/m1/s1
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n/an/a 0.810n/an/an/an/an/an/a



Organix Inc

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 binding to Dopamine transporter in rhesus (Macaca mulatta) or cynomolgus monkey (Macaca fascicularis) caudate-putamen


J Med Chem 44: 2619-35 (2001)


Article DOI: 10.1021/jm0101242
BindingDB Entry DOI: 10.7270/Q2K35VC3
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50353767
PNG
(CHEMBL1829430)
Show SMILES CCC(N(CCCN)C(=O)c1ccc(C)cc1)c1nc2snc(C)c2c(=O)n1Cc1ccccc1
Show InChI InChI=1S/C27H31N5O2S/c1-4-22(31(16-8-15-28)26(33)21-13-11-18(2)12-14-21)24-29-25-23(19(3)30-35-25)27(34)32(24)17-20-9-6-5-7-10-20/h5-7,9-14,22H,4,8,15-17,28H2,1-3H3
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n/an/a 1n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His6-tagged KSP ATPase activity after 1 hr by malachite green assay


J Med Chem 54: 6734-50 (2011)


Article DOI: 10.1021/jm200629m
BindingDB Entry DOI: 10.7270/Q2ZC838Z
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50035730
PNG
(3-(3,4-Dichloro-phenyl)-8-methyl-8-aza-bicyclo[3.2...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)c(Cl)c1)N2C
Show InChI InChI=1S/C16H19Cl2NO2/c1-19-10-4-6-14(19)15(16(20)21-2)11(8-10)9-3-5-12(17)13(18)7-9/h3,5,7,10-11,14-15H,4,6,8H2,1-2H3
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n/an/a 1.09n/an/an/an/an/an/a



Organix Inc

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 binding to Dopamine transporter in rhesus (Macaca mulatta) or cynomolgus monkey (Macaca fascicularis) caudate-putamen


J Med Chem 44: 2619-35 (2001)


Article DOI: 10.1021/jm0101242
BindingDB Entry DOI: 10.7270/Q2K35VC3
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50102577
PNG
(3-(3,4-Dichloro-phenyl)-7-hydroxy-8-methyl-8-aza-b...)
Show SMILES CCOC(=O)C1C2[C@H](O)CC(CC1c1ccc(Cl)c(Cl)c1)N2C
Show InChI InChI=1S/C17H21Cl2NO3/c1-3-23-17(22)15-11(9-4-5-12(18)13(19)6-9)7-10-8-14(21)16(15)20(10)2/h4-6,10-11,14-16,21H,3,7-8H2,1-2H3/t10?,11?,14-,15?,16?/m1/s1
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n/an/a 1.10n/an/an/an/an/an/a



Organix Inc

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 binding to Dopamine transporter in rhesus (Macaca mulatta) or cynomolgus monkey (Macaca fascicularis) caudate-putamen


J Med Chem 44: 2619-35 (2001)


Article DOI: 10.1021/jm0101242
BindingDB Entry DOI: 10.7270/Q2K35VC3
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50076050
PNG
(3-(3,4-Dichloro-phenyl)-8-methyl-8-aza-bicyclo[3.2...)
Show SMILES COC(=O)C1=C(CC2CCC1N2C)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H17Cl2NO2/c1-19-10-4-6-14(19)15(16(20)21-2)11(8-10)9-3-5-12(17)13(18)7-9/h3,5,7,10,14H,4,6,8H2,1-2H3
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n/an/a 1.16n/an/an/an/an/an/a



Organix Inc

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 binding to Dopamine transporter in rhesus (Macaca mulatta) or cynomolgus monkey (Macaca fascicularis) caudate-putamen


J Med Chem 44: 2619-35 (2001)


Article DOI: 10.1021/jm0101242
BindingDB Entry DOI: 10.7270/Q2K35VC3
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50102565
PNG
(3-(3,4-Dichloro-phenyl)-7-hydroxy-8-methyl-8-aza-b...)
Show SMILES COC(=O)C1C2[C@H](O)CC(CC1c1ccc(Cl)c(Cl)c1)N2C
Show InChI InChI=1S/C16H19Cl2NO3/c1-19-9-6-10(8-3-4-11(17)12(18)5-8)14(16(21)22-2)15(19)13(20)7-9/h3-5,9-10,13-15,20H,6-7H2,1-2H3/t9?,10?,13-,14?,15?/m1/s1
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n/an/a 1.19n/an/an/an/an/an/a



Organix Inc

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 binding to Dopamine transporter in rhesus (Macaca mulatta) or cynomolgus monkey (Macaca fascicularis) caudate-putamen


J Med Chem 44: 2619-35 (2001)


Article DOI: 10.1021/jm0101242
BindingDB Entry DOI: 10.7270/Q2K35VC3
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50102578
PNG
(7-Hydroxy-8-methyl-3-naphthalen-2-yl-8-aza-bicyclo...)
Show SMILES COC(=O)C1C2[C@H](O)CC(CC1c1ccc3ccccc3c1)N2C
Show InChI InChI=1S/C20H23NO3/c1-21-15-10-16(18(20(23)24-2)19(21)17(22)11-15)14-8-7-12-5-3-4-6-13(12)9-14/h3-9,15-19,22H,10-11H2,1-2H3/t15?,16?,17-,18?,19?/m1/s1
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n/an/a 1.26n/an/an/an/an/an/a



Organix Inc

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 binding to Dopamine transporter in rhesus (Macaca mulatta) or cynomolgus monkey (Macaca fascicularis) caudate-putamen


J Med Chem 44: 2619-35 (2001)


Article DOI: 10.1021/jm0101242
BindingDB Entry DOI: 10.7270/Q2K35VC3
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50102565
PNG
(3-(3,4-Dichloro-phenyl)-7-hydroxy-8-methyl-8-aza-b...)
Show SMILES COC(=O)C1C2[C@H](O)CC(CC1c1ccc(Cl)c(Cl)c1)N2C
Show InChI InChI=1S/C16H19Cl2NO3/c1-19-9-6-10(8-3-4-11(17)12(18)5-8)14(16(21)22-2)15(19)13(20)7-9/h3-5,9-10,13-15,20H,6-7H2,1-2H3/t9?,10?,13-,14?,15?/m1/s1
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n/an/a 1.42n/an/an/an/an/an/a



Organix Inc

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 binding to Dopamine transporter in rhesus (Macaca mulatta) or cynomolgus monkey (Macaca fascicularis) caudate-putamen


J Med Chem 44: 2619-35 (2001)


Article DOI: 10.1021/jm0101242
BindingDB Entry DOI: 10.7270/Q2K35VC3
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50353788
PNG
(CHEMBL1829433)
Show SMILES CC(C)C(N(CCCN)C(=O)c1ccc(C)cc1)c1nc2snc(C)c2c(=O)n1Cc1ccccc1
Show InChI InChI=1S/C28H33N5O2S/c1-18(2)24(32(16-8-15-29)27(34)22-13-11-19(3)12-14-22)25-30-26-23(20(4)31-36-26)28(35)33(25)17-21-9-6-5-7-10-21/h5-7,9-14,18,24H,8,15-17,29H2,1-4H3
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n/an/a 2n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His6-tagged KSP ATPase activity after 1 hr by malachite green assay


J Med Chem 54: 6734-50 (2011)


Article DOI: 10.1021/jm200629m
BindingDB Entry DOI: 10.7270/Q2ZC838Z
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50063324
PNG
(8-Methyl-3-naphthalen-2-yl-8-aza-bicyclo[3.2.1]oct...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc3ccccc3c1)N2C
Show InChI InChI=1S/C20H23NO2/c1-21-16-9-10-18(21)19(20(22)23-2)17(12-16)15-8-7-13-5-3-4-6-14(13)11-15/h3-8,11,16-19H,9-10,12H2,1-2H3
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n/an/a 2.19n/an/an/an/an/an/a



Organix Inc

Curated by ChEMBL


Assay Description
Inhibition of [3H]citalopram binding to the serotonin transporter in rhesus (Macaca mulatta) or cynomolgus monkey (Macaca fascicularis) caudate-putam...


J Med Chem 44: 2619-35 (2001)


Article DOI: 10.1021/jm0101242
BindingDB Entry DOI: 10.7270/Q2K35VC3
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50035730
PNG
(3-(3,4-Dichloro-phenyl)-8-methyl-8-aza-bicyclo[3.2...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)c(Cl)c1)N2C
Show InChI InChI=1S/C16H19Cl2NO2/c1-19-10-4-6-14(19)15(16(20)21-2)11(8-10)9-3-5-12(17)13(18)7-9/h3,5,7,10-11,14-15H,4,6,8H2,1-2H3
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n/an/a 2.47n/an/an/an/an/an/a



Organix Inc

Curated by ChEMBL


Assay Description
Inhibition of [3H]citalopram binding to the serotonin transporter in rhesus (Macaca mulatta) or cynomolgus monkey (Macaca fascicularis) caudate-putam...


J Med Chem 44: 2619-35 (2001)


Article DOI: 10.1021/jm0101242
BindingDB Entry DOI: 10.7270/Q2K35VC3
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50102578
PNG
(7-Hydroxy-8-methyl-3-naphthalen-2-yl-8-aza-bicyclo...)
Show SMILES COC(=O)C1C2[C@H](O)CC(CC1c1ccc3ccccc3c1)N2C
Show InChI InChI=1S/C20H23NO3/c1-21-15-10-16(18(20(23)24-2)19(21)17(22)11-15)14-8-7-12-5-3-4-6-13(12)9-14/h3-9,15-19,22H,10-11H2,1-2H3/t15?,16?,17-,18?,19?/m1/s1
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n/an/a 2.80n/an/an/an/an/an/a



Organix Inc

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 binding to Dopamine transporter in rhesus (Macaca mulatta) or cynomolgus monkey (Macaca fascicularis) caudate-putamen


J Med Chem 44: 2619-35 (2001)


Article DOI: 10.1021/jm0101242
BindingDB Entry DOI: 10.7270/Q2K35VC3
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50090971
PNG
(8-Methyl-3-naphthalen-2-yl-8-aza-bicyclo[3.2.1]oct...)
Show SMILES COC(=O)C1=C(CC2CCC1N2C)c1ccc2ccccc2c1
Show InChI InChI=1S/C20H21NO2/c1-21-16-9-10-18(21)19(20(22)23-2)17(12-16)15-8-7-13-5-3-4-6-14(13)11-15/h3-8,11,16,18H,9-10,12H2,1-2H3
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n/an/a 2.94n/an/an/an/an/an/a



Organix Inc

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 binding to Dopamine transporter in rhesus (Macaca mulatta) or cynomolgus monkey (Macaca fascicularis) caudate-putamen


J Med Chem 44: 2619-35 (2001)


Article DOI: 10.1021/jm0101242
BindingDB Entry DOI: 10.7270/Q2K35VC3
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50353799
PNG
(CHEMBL1829424)
Show SMILES CCC(N(CCCN)C(=O)c1ccc(C)cc1)c1nc2sccc2c(=O)n1Cc1ccccc1
Show InChI InChI=1S/C27H30N4O2S/c1-3-23(30(16-7-15-28)26(32)21-12-10-19(2)11-13-21)24-29-25-22(14-17-34-25)27(33)31(24)18-20-8-5-4-6-9-20/h4-6,8-14,17,23H,3,7,15-16,18,28H2,1-2H3
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n/an/a 3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His6-tagged KSP ATPase activity after 1 hr by malachite green assay


J Med Chem 54: 6734-50 (2011)


Article DOI: 10.1021/jm200629m
BindingDB Entry DOI: 10.7270/Q2ZC838Z
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50353767
PNG
(CHEMBL1829430)
Show SMILES CCC(N(CCCN)C(=O)c1ccc(C)cc1)c1nc2snc(C)c2c(=O)n1Cc1ccccc1
Show InChI InChI=1S/C27H31N5O2S/c1-4-22(31(16-8-15-28)26(33)21-13-11-18(2)12-14-21)24-29-25-23(19(3)30-35-25)27(34)32(24)17-20-9-6-5-7-10-20/h5-7,9-14,22H,4,8,15-17,28H2,1-3H3
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n/an/a 3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His6-tagged KSP ATPase activity after 1 hr by malachite green assay


J Med Chem 54: 6734-50 (2011)


Article DOI: 10.1021/jm200629m
BindingDB Entry DOI: 10.7270/Q2ZC838Z
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50102571
PNG
(3-(3,4-Dichloro-phenyl)-6-hydroxy-8-methyl-8-aza-b...)
Show SMILES COC(=O)C1C2C[C@H](O)C(CC1c1ccc(Cl)c(Cl)c1)N2C
Show InChI InChI=1S/C16H19Cl2NO3/c1-19-12-6-9(8-3-4-10(17)11(18)5-8)15(16(21)22-2)13(19)7-14(12)20/h3-5,9,12-15,20H,6-7H2,1-2H3/t9?,12?,13?,14-,15?/m0/s1
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n/an/a 3.02n/an/an/an/an/an/a



Organix Inc

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 binding to Dopamine transporter in rhesus (Macaca mulatta) or cynomolgus monkey (Macaca fascicularis) caudate-putamen


J Med Chem 44: 2619-35 (2001)


Article DOI: 10.1021/jm0101242
BindingDB Entry DOI: 10.7270/Q2K35VC3
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50102564
PNG
(3-(3,4-Dichloro-phenyl)-7-hydroxy-8-methyl-8-aza-b...)
Show SMILES COC(=O)C1C2[C@@H](O)CC(CC1c1ccc(Cl)c(Cl)c1)N2C
Show InChI InChI=1S/C16H19Cl2NO3/c1-19-9-6-10(8-3-4-11(17)12(18)5-8)14(16(21)22-2)15(19)13(20)7-9/h3-5,9-10,13-15,20H,6-7H2,1-2H3/t9?,10?,13-,14?,15?/m0/s1
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n/an/a 3.04n/an/an/an/an/an/a



Organix Inc

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 binding to Dopamine transporter in rhesus (Macaca mulatta) or cynomolgus monkey (Macaca fascicularis) caudate-putamen


J Med Chem 44: 2619-35 (2001)


Article DOI: 10.1021/jm0101242
BindingDB Entry DOI: 10.7270/Q2K35VC3
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50353820
PNG
(CHEMBL1829432)
Show SMILES CCC(N(CCCN)C(=O)c1ccc(C)cc1)c1nc2c(C)nsc2c(=O)n1Cc1ccccc1
Show InChI InChI=1S/C27H31N5O2S/c1-4-22(31(16-8-15-28)26(33)21-13-11-18(2)12-14-21)25-29-23-19(3)30-35-24(23)27(34)32(25)17-20-9-6-5-7-10-20/h5-7,9-14,22H,4,8,15-17,28H2,1-3H3
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n/an/a 5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His6-tagged KSP ATPase activity after 1 hr by malachite green assay


J Med Chem 54: 6734-50 (2011)


Article DOI: 10.1021/jm200629m
BindingDB Entry DOI: 10.7270/Q2ZC838Z
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50102578
PNG
(7-Hydroxy-8-methyl-3-naphthalen-2-yl-8-aza-bicyclo...)
Show SMILES COC(=O)C1C2[C@H](O)CC(CC1c1ccc3ccccc3c1)N2C
Show InChI InChI=1S/C20H23NO3/c1-21-15-10-16(18(20(23)24-2)19(21)17(22)11-15)14-8-7-12-5-3-4-6-13(12)9-14/h3-9,15-19,22H,10-11H2,1-2H3/t15?,16?,17-,18?,19?/m1/s1
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n/an/a 5.57n/an/an/an/an/an/a



Organix Inc

Curated by ChEMBL


Assay Description
Inhibition of [3H]citalopram binding to the serotonin transporter in rhesus (Macaca mulatta) or cynomolgus monkey (Macaca fascicularis) caudate-putam...


J Med Chem 44: 2619-35 (2001)


Article DOI: 10.1021/jm0101242
BindingDB Entry DOI: 10.7270/Q2K35VC3
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50063324
PNG
(8-Methyl-3-naphthalen-2-yl-8-aza-bicyclo[3.2.1]oct...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc3ccccc3c1)N2C
Show InChI InChI=1S/C20H23NO2/c1-21-16-9-10-18(21)19(20(22)23-2)17(12-16)15-8-7-13-5-3-4-6-14(13)11-15/h3-8,11,16-19H,9-10,12H2,1-2H3
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n/an/a 5.95n/an/an/an/an/an/a



Organix Inc

Curated by ChEMBL


Assay Description
Inhibition of [3H]citalopram binding to the serotonin transporter in rhesus (Macaca mulatta) or cynomolgus monkey (Macaca fascicularis) caudate-putam...


J Med Chem 44: 2619-35 (2001)


Article DOI: 10.1021/jm0101242
BindingDB Entry DOI: 10.7270/Q2K35VC3
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50102571
PNG
(3-(3,4-Dichloro-phenyl)-6-hydroxy-8-methyl-8-aza-b...)
Show SMILES COC(=O)C1C2C[C@H](O)C(CC1c1ccc(Cl)c(Cl)c1)N2C
Show InChI InChI=1S/C16H19Cl2NO3/c1-19-12-6-9(8-3-4-10(17)11(18)5-8)15(16(21)22-2)13(19)7-14(12)20/h3-5,9,12-15,20H,6-7H2,1-2H3/t9?,12?,13?,14-,15?/m0/s1
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n/an/a 6.09n/an/an/an/an/an/a



Organix Inc

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 binding to Dopamine transporter in rhesus (Macaca mulatta) or cynomolgus monkey (Macaca fascicularis) caudate-putamen


J Med Chem 44: 2619-35 (2001)


Article DOI: 10.1021/jm0101242
BindingDB Entry DOI: 10.7270/Q2K35VC3
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50102581
PNG
(3-(3,4-Dichloro-phenyl)-7-hydroxy-8-methyl-8-aza-b...)
Show SMILES COC(=O)C1=C(CC2C[C@H](O)C1N2C)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H17Cl2NO3/c1-19-9-6-10(8-3-4-11(17)12(18)5-8)14(16(21)22-2)15(19)13(20)7-9/h3-5,9,13,15,20H,6-7H2,1-2H3/t9?,13-,15?/m0/s1
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n/an/a 7.37n/an/an/an/an/an/a



Organix Inc

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 binding to Dopamine transporter in rhesus (Macaca mulatta) or cynomolgus monkey (Macaca fascicularis) caudate-putamen


J Med Chem 44: 2619-35 (2001)


Article DOI: 10.1021/jm0101242
BindingDB Entry DOI: 10.7270/Q2K35VC3
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50102572
PNG
(6-Hydroxy-8-methyl-3-naphthalen-2-yl-8-aza-bicyclo...)
Show SMILES COC(=O)C1C2C[C@H](O)C(CC1c1ccc3ccccc3c1)N2C
Show InChI InChI=1S/C20H23NO3/c1-21-16-10-15(19(20(23)24-2)17(21)11-18(16)22)14-8-7-12-5-3-4-6-13(12)9-14/h3-9,15-19,22H,10-11H2,1-2H3/t15?,16?,17?,18-,19?/m0/s1
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n/an/a 7.70n/an/an/an/an/an/a



Organix Inc

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 binding to Dopamine transporter in rhesus (Macaca mulatta) or cynomolgus monkey (Macaca fascicularis) caudate-putamen


J Med Chem 44: 2619-35 (2001)


Article DOI: 10.1021/jm0101242
BindingDB Entry DOI: 10.7270/Q2K35VC3
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50353799
PNG
(CHEMBL1829424)
Show SMILES CCC(N(CCCN)C(=O)c1ccc(C)cc1)c1nc2sccc2c(=O)n1Cc1ccccc1
Show InChI InChI=1S/C27H30N4O2S/c1-3-23(30(16-7-15-28)26(32)21-12-10-19(2)11-13-21)24-29-25-22(14-17-34-25)27(33)31(24)18-20-8-5-4-6-9-20/h4-6,8-14,17,23H,3,7,15-16,18,28H2,1-2H3
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n/an/a 8n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His6-tagged KSP ATPase activity after 1 hr by malachite green assay


J Med Chem 54: 6734-50 (2011)


Article DOI: 10.1021/jm200629m
BindingDB Entry DOI: 10.7270/Q2ZC838Z
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50353821
PNG
(CHEMBL1829246)
Show SMILES CCC(N(CCCN)C(=O)c1ccc(C)cc1)c1nc2ccsc2c(=O)n1Cc1ccccc1
Show InChI InChI=1S/C27H30N4O2S/c1-3-23(30(16-7-15-28)26(32)21-12-10-19(2)11-13-21)25-29-22-14-17-34-24(22)27(33)31(25)18-20-8-5-4-6-9-20/h4-6,8-14,17,23H,3,7,15-16,18,28H2,1-2H3
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n/an/a 10n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His6-tagged KSP ATPase activity after 1 hr by malachite green assay


J Med Chem 54: 6734-50 (2011)


Article DOI: 10.1021/jm200629m
BindingDB Entry DOI: 10.7270/Q2ZC838Z
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50353823
PNG
(CHEMBL1829422)
Show SMILES CCC(N(CCCN)C(=O)c1ccc(C)cc1)c1nc2ccoc2c(=O)n1Cc1ccccc1
Show InChI InChI=1S/C27H30N4O3/c1-3-23(30(16-7-15-28)26(32)21-12-10-19(2)11-13-21)25-29-22-14-17-34-24(22)27(33)31(25)18-20-8-5-4-6-9-20/h4-6,8-14,17,23H,3,7,15-16,18,28H2,1-2H3
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n/an/a 13n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His6-tagged KSP ATPase activity after 1 hr by malachite green assay


J Med Chem 54: 6734-50 (2011)


Article DOI: 10.1021/jm200629m
BindingDB Entry DOI: 10.7270/Q2ZC838Z
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50102589
PNG
(3-(3,4-Dichloro-phenyl)-7-hydroxy-8-methyl-8-aza-b...)
Show SMILES COC(=O)C1C2[C@H](O)C[C@H](CC1c1ccc(Cl)c(Cl)c1)N2C
Show InChI InChI=1S/C16H19Cl2NO3/c1-19-9-6-10(8-3-4-11(17)12(18)5-8)14(16(21)22-2)15(19)13(20)7-9/h3-5,9-10,13-15,20H,6-7H2,1-2H3/t9-,10?,13+,14?,15?/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Organix Inc

Curated by ChEMBL


Assay Description
Inhibition of [3H]citalopram binding to the serotonin transporter in rhesus (Macaca mulatta) or cynomolgus monkey (Macaca fascicularis) caudate-putam...


J Med Chem 44: 2619-35 (2001)


Article DOI: 10.1021/jm0101242
BindingDB Entry DOI: 10.7270/Q2K35VC3
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50353822
PNG
(CHEMBL1829431)
Show SMILES CCC(N(CCCN)C(=O)c1ccc(C)cc1)c1nc2onc(C)c2c(=O)n1Cc1ccccc1
Show InChI InChI=1S/C27H31N5O3/c1-4-22(31(16-8-15-28)26(33)21-13-11-18(2)12-14-21)24-29-25-23(19(3)30-35-25)27(34)32(24)17-20-9-6-5-7-10-20/h5-7,9-14,22H,4,8,15-17,28H2,1-3H3
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n/an/a 16n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His6-tagged KSP ATPase activity after 1 hr by malachite green assay


J Med Chem 54: 6734-50 (2011)


Article DOI: 10.1021/jm200629m
BindingDB Entry DOI: 10.7270/Q2ZC838Z
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50102583
PNG
(3-(3,4-Dichloro-phenyl)-7-hydroxy-8-methyl-8-aza-b...)
Show SMILES COC(=O)C1=C(CC2C[C@@H](O)C1N2C)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H17Cl2NO3/c1-19-9-6-10(8-3-4-11(17)12(18)5-8)14(16(21)22-2)15(19)13(20)7-9/h3-5,9,13,15,20H,6-7H2,1-2H3/t9?,13-,15?/m1/s1
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n/an/a 19.4n/an/an/an/an/an/a



Organix Inc

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 binding to Dopamine transporter in rhesus (Macaca mulatta) or cynomolgus monkey (Macaca fascicularis) caudate-putamen


J Med Chem 44: 2619-35 (2001)


Article DOI: 10.1021/jm0101242
BindingDB Entry DOI: 10.7270/Q2K35VC3
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50353760
PNG
(CHEMBL1829248)
Show SMILES CCC(N(CCCN)C(=O)c1ccc(C)cc1)c1nc2ccsc2c(=O)n1Cc1cccc(F)c1
Show InChI InChI=1S/C27H29FN4O2S/c1-3-23(31(14-5-13-29)26(33)20-10-8-18(2)9-11-20)25-30-22-12-15-35-24(22)27(34)32(25)17-19-6-4-7-21(28)16-19/h4,6-12,15-16,23H,3,5,13-14,17,29H2,1-2H3
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n/an/a 20n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His6-tagged KSP ATPase activity after 1 hr by malachite green assay


J Med Chem 54: 6734-50 (2011)


Article DOI: 10.1021/jm200629m
BindingDB Entry DOI: 10.7270/Q2ZC838Z
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50353761
PNG
(CHEMBL1829406)
Show SMILES CCC(N(CCCN)C(=O)c1ccc(C)c(F)c1)c1nc2ccsc2c(=O)n1Cc1ccccc1
Show InChI InChI=1S/C27H29FN4O2S/c1-3-23(31(14-7-13-29)26(33)20-11-10-18(2)21(28)16-20)25-30-22-12-15-35-24(22)27(34)32(25)17-19-8-5-4-6-9-19/h4-6,8-12,15-16,23H,3,7,13-14,17,29H2,1-2H3
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n/an/a 20n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His6-tagged KSP ATPase activity after 1 hr by malachite green assay


J Med Chem 54: 6734-50 (2011)


Article DOI: 10.1021/jm200629m
BindingDB Entry DOI: 10.7270/Q2ZC838Z
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50353762
PNG
(CHEMBL1829423)
Show SMILES CCC(N(CCCN)C(=O)c1ccc(C)cc1)c1nc2ccn(C)c2c(=O)n1Cc1ccccc1
Show InChI InChI=1S/C28H33N5O2/c1-4-24(32(17-8-16-29)27(34)22-13-11-20(2)12-14-22)26-30-23-15-18-31(3)25(23)28(35)33(26)19-21-9-6-5-7-10-21/h5-7,9-15,18,24H,4,8,16-17,19,29H2,1-3H3
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n/an/a 21n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His6-tagged KSP ATPase activity after 1 hr by malachite green assay


J Med Chem 54: 6734-50 (2011)


Article DOI: 10.1021/jm200629m
BindingDB Entry DOI: 10.7270/Q2ZC838Z
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50102565
PNG
(3-(3,4-Dichloro-phenyl)-7-hydroxy-8-methyl-8-aza-b...)
Show SMILES COC(=O)C1C2[C@H](O)CC(CC1c1ccc(Cl)c(Cl)c1)N2C
Show InChI InChI=1S/C16H19Cl2NO3/c1-19-9-6-10(8-3-4-11(17)12(18)5-8)14(16(21)22-2)15(19)13(20)7-9/h3-5,9-10,13-15,20H,6-7H2,1-2H3/t9?,10?,13-,14?,15?/m1/s1
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n/an/a 27.7n/an/an/an/an/an/a



Organix Inc

Curated by ChEMBL


Assay Description
Inhibition of [3H]citalopram binding to the serotonin transporter in rhesus (Macaca mulatta) or cynomolgus monkey (Macaca fascicularis) caudate-putam...


J Med Chem 44: 2619-35 (2001)


Article DOI: 10.1021/jm0101242
BindingDB Entry DOI: 10.7270/Q2K35VC3
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50035730
PNG
(3-(3,4-Dichloro-phenyl)-8-methyl-8-aza-bicyclo[3.2...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)c(Cl)c1)N2C
Show InChI InChI=1S/C16H19Cl2NO2/c1-19-10-4-6-14(19)15(16(20)21-2)11(8-10)9-3-5-12(17)13(18)7-9/h3,5,7,10-11,14-15H,4,6,8H2,1-2H3
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n/an/a 27.7n/an/an/an/an/an/a



Organix Inc

Curated by ChEMBL


Assay Description
Inhibition of [3H]citalopram binding to the serotonin transporter in rhesus (Macaca mulatta) or cynomolgus monkey (Macaca fascicularis) caudate-putam...


J Med Chem 44: 2619-35 (2001)


Article DOI: 10.1021/jm0101242
BindingDB Entry DOI: 10.7270/Q2K35VC3
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50353763
PNG
(CHEMBL1829401)
Show SMILES CCC(N(CCCN)C(=O)c1ccc(Br)cc1)c1nc2ccsc2c(=O)n1Cc1ccccc1
Show InChI InChI=1S/C26H27BrN4O2S/c1-2-22(30(15-6-14-28)25(32)19-9-11-20(27)12-10-19)24-29-21-13-16-34-23(21)26(33)31(24)17-18-7-4-3-5-8-18/h3-5,7-13,16,22H,2,6,14-15,17,28H2,1H3
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n/an/a 30n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His6-tagged KSP ATPase activity after 1 hr by malachite green assay


J Med Chem 54: 6734-50 (2011)


Article DOI: 10.1021/jm200629m
BindingDB Entry DOI: 10.7270/Q2ZC838Z
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50353764
PNG
(CHEMBL1829420)
Show SMILES CCC(N(CCCN)C(=O)c1ccc2ccccc2c1)c1nc2ccsc2c(=O)n1Cc1ccccc1
Show InChI InChI=1S/C30H30N4O2S/c1-2-26(33(17-8-16-31)29(35)24-14-13-22-11-6-7-12-23(22)19-24)28-32-25-15-18-37-27(25)30(36)34(28)20-21-9-4-3-5-10-21/h3-7,9-15,18-19,26H,2,8,16-17,20,31H2,1H3
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n/an/a 30n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His6-tagged KSP ATPase activity after 1 hr by malachite green assay


J Med Chem 54: 6734-50 (2011)


Article DOI: 10.1021/jm200629m
BindingDB Entry DOI: 10.7270/Q2ZC838Z
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50102572
PNG
(6-Hydroxy-8-methyl-3-naphthalen-2-yl-8-aza-bicyclo...)
Show SMILES COC(=O)C1C2C[C@H](O)C(CC1c1ccc3ccccc3c1)N2C
Show InChI InChI=1S/C20H23NO3/c1-21-16-10-15(19(20(23)24-2)17(21)11-18(16)22)14-8-7-12-5-3-4-6-13(12)9-14/h3-9,15-19,22H,10-11H2,1-2H3/t15?,16?,17?,18-,19?/m0/s1
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n/an/a 32n/an/an/an/an/an/a



Organix Inc

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 binding to Dopamine transporter in rhesus (Macaca mulatta) or cynomolgus monkey (Macaca fascicularis) caudate-putamen


J Med Chem 44: 2619-35 (2001)


Article DOI: 10.1021/jm0101242
BindingDB Entry DOI: 10.7270/Q2K35VC3
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50102579
PNG
(3-(3,4-Dichloro-phenyl)-6-hydroxy-8-methyl-8-aza-b...)
Show SMILES COC(=O)C1C2C[C@@H](O)C(CC1c1ccc(Cl)c(Cl)c1)N2C
Show InChI InChI=1S/C16H19Cl2NO3/c1-19-12-6-9(8-3-4-10(17)11(18)5-8)15(16(21)22-2)13(19)7-14(12)20/h3-5,9,12-15,20H,6-7H2,1-2H3/t9?,12?,13?,14-,15?/m1/s1
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n/an/a 33.2n/an/an/an/an/an/a



Organix Inc

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 binding to Dopamine transporter in rhesus (Macaca mulatta) or cynomolgus monkey (Macaca fascicularis) caudate-putamen


J Med Chem 44: 2619-35 (2001)


Article DOI: 10.1021/jm0101242
BindingDB Entry DOI: 10.7270/Q2K35VC3
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50102572
PNG
(6-Hydroxy-8-methyl-3-naphthalen-2-yl-8-aza-bicyclo...)
Show SMILES COC(=O)C1C2C[C@H](O)C(CC1c1ccc3ccccc3c1)N2C
Show InChI InChI=1S/C20H23NO3/c1-21-16-10-15(19(20(23)24-2)17(21)11-18(16)22)14-8-7-12-5-3-4-6-13(12)9-14/h3-9,15-19,22H,10-11H2,1-2H3/t15?,16?,17?,18-,19?/m0/s1
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n/an/a 34.2n/an/an/an/an/an/a



Organix Inc

Curated by ChEMBL


Assay Description
Inhibition of [3H]citalopram binding to the serotonin transporter in rhesus (Macaca mulatta) or cynomolgus monkey (Macaca fascicularis) caudate-putam...


J Med Chem 44: 2619-35 (2001)


Article DOI: 10.1021/jm0101242
BindingDB Entry DOI: 10.7270/Q2K35VC3
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50353765
PNG
(CHEMBL1829418)
Show SMILES CCC(N(CCCN)C(=O)c1cc2ccccc2s1)c1nc2ccsc2c(=O)n1Cc1ccccc1
Show InChI InChI=1S/C28H28N4O2S2/c1-2-22(31(15-8-14-29)27(33)24-17-20-11-6-7-12-23(20)36-24)26-30-21-13-16-35-25(21)28(34)32(26)18-19-9-4-3-5-10-19/h3-7,9-13,16-17,22H,2,8,14-15,18,29H2,1H3
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n/an/a 40n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His6-tagged KSP ATPase activity after 1 hr by malachite green assay


J Med Chem 54: 6734-50 (2011)


Article DOI: 10.1021/jm200629m
BindingDB Entry DOI: 10.7270/Q2ZC838Z
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50102580
PNG
(7-Hydroxy-8-methyl-3-naphthalen-2-yl-8-aza-bicyclo...)
Show SMILES COC(=O)C1=C(CC2C[C@@H](O)C1N2C)c1ccc2ccccc2c1
Show InChI InChI=1S/C20H21NO3/c1-21-15-10-16(18(20(23)24-2)19(21)17(22)11-15)14-8-7-12-5-3-4-6-13(12)9-14/h3-9,15,17,19,22H,10-11H2,1-2H3/t15?,17-,19?/m1/s1
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n/an/a 45n/an/an/an/an/an/a



Organix Inc

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 binding to Dopamine transporter in rhesus (Macaca mulatta) or cynomolgus monkey (Macaca fascicularis) caudate-putamen


J Med Chem 44: 2619-35 (2001)


Article DOI: 10.1021/jm0101242
BindingDB Entry DOI: 10.7270/Q2K35VC3
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50102565
PNG
(3-(3,4-Dichloro-phenyl)-7-hydroxy-8-methyl-8-aza-b...)
Show SMILES COC(=O)C1C2[C@H](O)CC(CC1c1ccc(Cl)c(Cl)c1)N2C
Show InChI InChI=1S/C16H19Cl2NO3/c1-19-9-6-10(8-3-4-11(17)12(18)5-8)14(16(21)22-2)15(19)13(20)7-9/h3-5,9-10,13-15,20H,6-7H2,1-2H3/t9?,10?,13-,14?,15?/m1/s1
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n/an/a 48n/an/an/an/an/an/a



Organix Inc

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 binding to Dopamine transporter in rhesus (Macaca mulatta) or cynomolgus monkey (Macaca fascicularis) caudate-putamen


J Med Chem 44: 2619-35 (2001)


Article DOI: 10.1021/jm0101242
BindingDB Entry DOI: 10.7270/Q2K35VC3
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50353766
PNG
(CHEMBL1829399)
Show SMILES CCC(N(CCCN)C(=O)c1ccc(Cl)cc1)c1nc2ccsc2c(=O)n1Cc1ccccc1
Show InChI InChI=1S/C26H27ClN4O2S/c1-2-22(30(15-6-14-28)25(32)19-9-11-20(27)12-10-19)24-29-21-13-16-34-23(21)26(33)31(24)17-18-7-4-3-5-8-18/h3-5,7-13,16,22H,2,6,14-15,17,28H2,1H3
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n/an/a 50n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His6-tagged KSP ATPase activity after 1 hr by malachite green assay


J Med Chem 54: 6734-50 (2011)


Article DOI: 10.1021/jm200629m
BindingDB Entry DOI: 10.7270/Q2ZC838Z
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50353767
PNG
(CHEMBL1829430)
Show SMILES CCC(N(CCCN)C(=O)c1ccc(C)cc1)c1nc2snc(C)c2c(=O)n1Cc1ccccc1
Show InChI InChI=1S/C27H31N5O2S/c1-4-22(31(16-8-15-28)26(33)21-13-11-18(2)12-14-21)24-29-25-23(19(3)30-35-25)27(34)32(24)17-20-9-6-5-7-10-20/h5-7,9-14,22H,4,8,15-17,28H2,1-3H3
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n/an/a 51n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His6-tagged KSP ATPase activity after 1 hr by malachite green assay


J Med Chem 54: 6734-50 (2011)


Article DOI: 10.1021/jm200629m
BindingDB Entry DOI: 10.7270/Q2ZC838Z
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50102588
PNG
(3-(3,4-Dichloro-phenyl)-6-hydroxy-8-methyl-8-aza-b...)
Show SMILES COC(=O)C1=C(CC2[C@@H](O)CC1N2C)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H17Cl2NO3/c1-19-12-6-9(8-3-4-10(17)11(18)5-8)15(16(21)22-2)13(19)7-14(12)20/h3-5,12-14,20H,6-7H2,1-2H3/t12?,13?,14-/m0/s1
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n/an/a 55.1n/an/an/an/an/an/a



Organix Inc

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 binding to Dopamine transporter in rhesus (Macaca mulatta) or cynomolgus monkey (Macaca fascicularis) caudate-putamen


J Med Chem 44: 2619-35 (2001)


Article DOI: 10.1021/jm0101242
BindingDB Entry DOI: 10.7270/Q2K35VC3
More data for this
Ligand-Target Pair
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