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Compile Data Set for Download or QSAR

Found 171 hits with Last Name = 'chowdhury' and Initial = 'r'   
Target
(Institution)
LigandTarget
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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50078242
PNG
(CHEMBL41491 | [8-(2-Methoxy-phenyl)-chroman-3-yl]-...)
Show SMILES CCCN(CCC)C1COc2c(C1)cccc2-c1ccccc1OC
Show InChI InChI=1S/C22H29NO2/c1-4-13-23(14-5-2)18-15-17-9-8-11-20(22(17)25-16-18)19-10-6-7-12-21(19)24-3/h6-12,18H,4-5,13-16H2,1-3H3
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1.10n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [3H]-8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor in rat cortical membranes


Bioorg Med Chem Lett 9: 1583-6 (1999)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50078243
PNG
((8-Phenyl-chroman-3-yl)-dipropyl-amine | CHEMBL411...)
Show SMILES CCCN(CCC)C1COc2c(C1)cccc2-c1ccccc1
Show InChI InChI=1S/C21H27NO/c1-3-13-22(14-4-2)19-15-18-11-8-12-20(21(18)23-16-19)17-9-6-5-7-10-17/h5-12,19H,3-4,13-16H2,1-2H3
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1.10n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [3H]-8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor in rat cortical membranes


Bioorg Med Chem Lett 9: 1583-6 (1999)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50078250
PNG
(CHEMBL39847 | Dipropyl-(8-thiophen-3-yl-chroman-3-...)
Show SMILES CCCN(CCC)C1COc2c(C1)cccc2-c1ccsc1
Show InChI InChI=1S/C19H25NOS/c1-3-9-20(10-4-2)17-12-15-6-5-7-18(19(15)21-13-17)16-8-11-22-14-16/h5-8,11,14,17H,3-4,9-10,12-13H2,1-2H3
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1.10n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [3H]-8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor in rat cortical membranes


Bioorg Med Chem Lett 9: 1583-6 (1999)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50078240
PNG
(CHEMBL41200 | [8-(4-Methoxy-phenyl)-chroman-3-yl]-...)
Show SMILES CCCN(CCC)C1COc2c(C1)cccc2-c1ccc(OC)cc1
Show InChI InChI=1S/C22H29NO2/c1-4-13-23(14-5-2)19-15-18-7-6-8-21(22(18)25-16-19)17-9-11-20(24-3)12-10-17/h6-12,19H,4-5,13-16H2,1-3H3
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1.30n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [3H]-8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor in rat cortical membranes


Bioorg Med Chem Lett 9: 1583-6 (1999)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50052869
PNG
((R)-6-Methyl-11-phenyl-5,6,6a,7-tetrahydro-4H-dibe...)
Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1cccc(-c2ccccc2)c-31
Show InChI InChI=1S/C23H21N/c1-24-14-13-17-9-5-12-20-22-18(15-21(24)23(17)20)10-6-11-19(22)16-7-3-2-4-8-16/h2-12,21H,13-15H2,1H3/t21-/m1/s1
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1.80n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [3H]-8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor in rat cortical membranes


Bioorg Med Chem Lett 9: 1583-6 (1999)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50078244
PNG
((3-Dipropylamino-chroman-8-yl)-phenyl-methanone | ...)
Show SMILES CCCN(CCC)C1COc2c(C1)cccc2C(=O)c1ccccc1
Show InChI InChI=1S/C22H27NO2/c1-3-13-23(14-4-2)19-15-18-11-8-12-20(22(18)25-16-19)21(24)17-9-6-5-7-10-17/h5-12,19H,3-4,13-16H2,1-2H3
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4n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [3H]-8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor in rat cortical membranes


Bioorg Med Chem Lett 9: 1583-6 (1999)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50078241
PNG
((8-Furan-3-yl-chroman-3-yl)-dipropyl-amine | CHEMB...)
Show SMILES CCCN(CCC)C1COc2c(C1)cccc2-c1ccoc1
Show InChI InChI=1S/C19H25NO2/c1-3-9-20(10-4-2)17-12-15-6-5-7-18(19(15)22-14-17)16-8-11-21-13-16/h5-8,11,13,17H,3-4,9-10,12,14H2,1-2H3
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5.70n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [3H]-8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor in rat cortical membranes


Bioorg Med Chem Lett 9: 1583-6 (1999)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50078245
PNG
((3-Dipropylamino-chroman-8-yl)-thiophen-3-yl-metha...)
Show SMILES CCCN(CCC)C1COc2c(C1)cccc2C(=O)c1ccsc1
Show InChI InChI=1S/C20H25NO2S/c1-3-9-21(10-4-2)17-12-15-6-5-7-18(20(15)23-13-17)19(22)16-8-11-24-14-16/h5-8,11,14,17H,3-4,9-10,12-13H2,1-2H3
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7.30n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [3H]-8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor in rat cortical membranes


Bioorg Med Chem Lett 9: 1583-6 (1999)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50078249
PNG
((3-Dipropylamino-chroman-8-yl)-(4-methoxy-phenyl)-...)
Show SMILES CCCN(CCC)C1COc2c(C1)cccc2C(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C23H29NO3/c1-4-13-24(14-5-2)19-15-18-7-6-8-21(23(18)27-16-19)22(25)17-9-11-20(26-3)12-10-17/h6-12,19H,4-5,13-16H2,1-3H3
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10.5n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [3H]-8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor in rat cortical membranes


Bioorg Med Chem Lett 9: 1583-6 (1999)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50078247
PNG
(1-[4-(3-Dipropylamino-chroman-8-carbonyl)-phenyl]-...)
Show SMILES CCCN(CCC)C1COc2c(C1)cccc2C(=O)c1ccc(cc1)C(C)=O
Show InChI InChI=1S/C24H29NO3/c1-4-13-25(14-5-2)21-15-20-7-6-8-22(24(20)28-16-21)23(27)19-11-9-18(10-12-19)17(3)26/h6-12,21H,4-5,13-16H2,1-3H3
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11n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [3H]-8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor in rat cortical membranes


Bioorg Med Chem Lett 9: 1583-6 (1999)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50078246
PNG
((3-Dipropylamino-chroman-8-yl)-furan-3-yl-methanon...)
Show SMILES CCCN(CCC)C1COc2c(C1)cccc2C(=O)c1ccoc1
Show InChI InChI=1S/C20H25NO3/c1-3-9-21(10-4-2)17-12-15-6-5-7-18(20(15)24-14-17)19(22)16-8-11-23-13-16/h5-8,11,13,17H,3-4,9-10,12,14H2,1-2H3
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16.4n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [3H]-8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor in rat cortical membranes


Bioorg Med Chem Lett 9: 1583-6 (1999)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50078251
PNG
((3-Dipropylamino-chroman-8-yl)-(4-trifluoromethyl-...)
Show SMILES CCCN(CCC)C1COc2c(C1)cccc2C(=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C23H26F3NO2/c1-3-12-27(13-4-2)19-14-17-6-5-7-20(22(17)29-15-19)21(28)16-8-10-18(11-9-16)23(24,25)26/h5-11,19H,3-4,12-15H2,1-2H3
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47.2n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [3H]-8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor in rat cortical membranes


Bioorg Med Chem Lett 9: 1583-6 (1999)

More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50078241
PNG
((8-Furan-3-yl-chroman-3-yl)-dipropyl-amine | CHEMB...)
Show SMILES CCCN(CCC)C1COc2c(C1)cccc2-c1ccoc1
Show InChI InChI=1S/C19H25NO2/c1-3-9-20(10-4-2)17-12-15-6-5-7-18(19(15)22-14-17)16-8-11-21-13-16/h5-8,11,13,17H,3-4,9-10,12,14H2,1-2H3
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47.5n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [3H]-raclopride binding to cloned human D2A receptors expressed in mouse fibroblast (LtK-) cells


Bioorg Med Chem Lett 9: 1583-6 (1999)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50078252
PNG
((3-Dipropylamino-chroman-8-yl)-(2-methoxy-phenyl)-...)
Show SMILES CCCN(CCC)C1COc2c(C1)cccc2C(=O)c1ccccc1OC
Show InChI InChI=1S/C23H29NO3/c1-4-13-24(14-5-2)18-15-17-9-8-11-20(23(17)27-16-18)22(25)19-10-6-7-12-21(19)26-3/h6-12,18H,4-5,13-16H2,1-3H3
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60.8n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [3H]-8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor in rat cortical membranes


Bioorg Med Chem Lett 9: 1583-6 (1999)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50078248
PNG
(CHEMBL43073 | Dipropyl-(8-thiophen-3-yl-chroman-3-...)
Show SMILES CCCN(CCC)C1COc2c(C1)cccc2-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C22H26F3NO/c1-3-12-26(13-4-2)19-14-17-6-5-7-20(21(17)27-15-19)16-8-10-18(11-9-16)22(23,24)25/h5-11,19H,3-4,12-15H2,1-2H3
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63.8n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [3H]-8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor in rat cortical membranes


Bioorg Med Chem Lett 9: 1583-6 (1999)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50036864
PNG
(3-Dipropylamino-chroman-5-ol | CHEMBL27995)
Show SMILES CCCN(CCC)C1COc2cccc(O)c2C1
Show InChI InChI=1S/C15H23NO2/c1-3-8-16(9-4-2)12-10-13-14(17)6-5-7-15(13)18-11-12/h5-7,12,17H,3-4,8-11H2,1-2H3
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83n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [3H]-8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor in rat cortical membranes


Bioorg Med Chem Lett 9: 1583-6 (1999)

More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50020220
PNG
(3-Dipropylamino-chroman-8-ol | CHEMBL38428)
Show SMILES CCCN(CCC)C1COc2c(O)cccc2C1
Show InChI InChI=1S/C15H23NO2/c1-3-8-16(9-4-2)13-10-12-6-5-7-14(17)15(12)18-11-13/h5-7,13,17H,3-4,8-11H2,1-2H3
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128n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [3H]-raclopride binding to cloned human D2A receptors expressed in mouse fibroblast (LtK-) cells


Bioorg Med Chem Lett 9: 1583-6 (1999)

More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50078250
PNG
(CHEMBL39847 | Dipropyl-(8-thiophen-3-yl-chroman-3-...)
Show SMILES CCCN(CCC)C1COc2c(C1)cccc2-c1ccsc1
Show InChI InChI=1S/C19H25NOS/c1-3-9-20(10-4-2)17-12-15-6-5-7-18(19(15)21-13-17)16-8-11-22-14-16/h5-8,11,14,17H,3-4,9-10,12-13H2,1-2H3
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398n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [3H]-raclopride binding to cloned human D2A receptors expressed in mouse fibroblast (LtK-) cells


Bioorg Med Chem Lett 9: 1583-6 (1999)

More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50078243
PNG
((8-Phenyl-chroman-3-yl)-dipropyl-amine | CHEMBL411...)
Show SMILES CCCN(CCC)C1COc2c(C1)cccc2-c1ccccc1
Show InChI InChI=1S/C21H27NO/c1-3-13-22(14-4-2)19-15-18-11-8-12-20(21(18)23-16-19)17-9-6-5-7-10-17/h5-12,19H,3-4,13-16H2,1-2H3
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590n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [3H]-raclopride binding to cloned human D2A receptors expressed in mouse fibroblast (LtK-) cells


Bioorg Med Chem Lett 9: 1583-6 (1999)

More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50078248
PNG
(CHEMBL43073 | Dipropyl-(8-thiophen-3-yl-chroman-3-...)
Show SMILES CCCN(CCC)C1COc2c(C1)cccc2-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C22H26F3NO/c1-3-12-26(13-4-2)19-14-17-6-5-7-20(21(17)27-15-19)16-8-10-18(11-9-16)22(23,24)25/h5-11,19H,3-4,12-15H2,1-2H3
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763n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [3H]-raclopride binding to cloned human D2A receptors expressed in mouse fibroblast (LtK-) cells


Bioorg Med Chem Lett 9: 1583-6 (1999)

More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50078245
PNG
((3-Dipropylamino-chroman-8-yl)-thiophen-3-yl-metha...)
Show SMILES CCCN(CCC)C1COc2c(C1)cccc2C(=O)c1ccsc1
Show InChI InChI=1S/C20H25NO2S/c1-3-9-21(10-4-2)17-12-15-6-5-7-18(20(15)23-13-17)19(22)16-8-11-24-14-16/h5-8,11,14,17H,3-4,9-10,12-13H2,1-2H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [3H]-raclopride binding to cloned human D2A receptors expressed in mouse fibroblast (LtK-) cells


Bioorg Med Chem Lett 9: 1583-6 (1999)

More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50078252
PNG
((3-Dipropylamino-chroman-8-yl)-(2-methoxy-phenyl)-...)
Show SMILES CCCN(CCC)C1COc2c(C1)cccc2C(=O)c1ccccc1OC
Show InChI InChI=1S/C23H29NO3/c1-4-13-24(14-5-2)18-15-17-9-8-11-20(23(17)27-16-18)22(25)19-10-6-7-12-21(19)26-3/h6-12,18H,4-5,13-16H2,1-3H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [3H]-raclopride binding to cloned human D2A receptors expressed in mouse fibroblast (LtK-) cells


Bioorg Med Chem Lett 9: 1583-6 (1999)

More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50078242
PNG
(CHEMBL41491 | [8-(2-Methoxy-phenyl)-chroman-3-yl]-...)
Show SMILES CCCN(CCC)C1COc2c(C1)cccc2-c1ccccc1OC
Show InChI InChI=1S/C22H29NO2/c1-4-13-23(14-5-2)18-15-17-9-8-11-20(22(17)25-16-18)19-10-6-7-12-21(19)24-3/h6-12,18H,4-5,13-16H2,1-3H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [3H]-raclopride binding to cloned human D2A receptors expressed in mouse fibroblast (LtK-) cells


Bioorg Med Chem Lett 9: 1583-6 (1999)

More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50078247
PNG
(1-[4-(3-Dipropylamino-chroman-8-carbonyl)-phenyl]-...)
Show SMILES CCCN(CCC)C1COc2c(C1)cccc2C(=O)c1ccc(cc1)C(C)=O
Show InChI InChI=1S/C24H29NO3/c1-4-13-25(14-5-2)21-15-20-7-6-8-22(24(20)28-16-21)23(27)19-11-9-18(10-12-19)17(3)26/h6-12,21H,4-5,13-16H2,1-3H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [3H]-raclopride binding to cloned human D2A receptors expressed in mouse fibroblast (LtK-) cells


Bioorg Med Chem Lett 9: 1583-6 (1999)

More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50078244
PNG
((3-Dipropylamino-chroman-8-yl)-phenyl-methanone | ...)
Show SMILES CCCN(CCC)C1COc2c(C1)cccc2C(=O)c1ccccc1
Show InChI InChI=1S/C22H27NO2/c1-3-13-23(14-4-2)19-15-18-11-8-12-20(22(18)25-16-19)21(24)17-9-6-5-7-10-17/h5-12,19H,3-4,13-16H2,1-2H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [3H]-raclopride binding to cloned human D2A receptors expressed in mouse fibroblast (LtK-) cells


Bioorg Med Chem Lett 9: 1583-6 (1999)

More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50078251
PNG
((3-Dipropylamino-chroman-8-yl)-(4-trifluoromethyl-...)
Show SMILES CCCN(CCC)C1COc2c(C1)cccc2C(=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C23H26F3NO2/c1-3-12-27(13-4-2)19-14-17-6-5-7-20(22(17)29-15-19)21(28)16-8-10-18(11-9-16)23(24,25)26/h5-11,19H,3-4,12-15H2,1-2H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [3H]-raclopride binding to cloned human D2A receptors expressed in mouse fibroblast (LtK-) cells


Bioorg Med Chem Lett 9: 1583-6 (1999)

More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50078249
PNG
((3-Dipropylamino-chroman-8-yl)-(4-methoxy-phenyl)-...)
Show SMILES CCCN(CCC)C1COc2c(C1)cccc2C(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C23H29NO3/c1-4-13-24(14-5-2)19-15-18-7-6-8-21(23(18)27-16-19)22(25)17-9-11-20(26-3)12-10-17/h6-12,19H,4-5,13-16H2,1-3H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [3H]-raclopride binding to cloned human D2A receptors expressed in mouse fibroblast (LtK-) cells


Bioorg Med Chem Lett 9: 1583-6 (1999)

More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50078240
PNG
(CHEMBL41200 | [8-(4-Methoxy-phenyl)-chroman-3-yl]-...)
Show SMILES CCCN(CCC)C1COc2c(C1)cccc2-c1ccc(OC)cc1
Show InChI InChI=1S/C22H29NO2/c1-4-13-23(14-5-2)19-15-18-7-6-8-21(22(18)25-16-19)17-9-11-20(24-3)12-10-17/h6-12,19H,4-5,13-16H2,1-3H3
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1.09E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [3H]-raclopride binding to cloned human D2A receptors expressed in mouse fibroblast (LtK-) cells


Bioorg Med Chem Lett 9: 1583-6 (1999)

More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50078246
PNG
((3-Dipropylamino-chroman-8-yl)-furan-3-yl-methanon...)
Show SMILES CCCN(CCC)C1COc2c(C1)cccc2C(=O)c1ccoc1
Show InChI InChI=1S/C20H25NO3/c1-3-9-21(10-4-2)17-12-15-6-5-7-18(20(15)24-14-17)19(22)16-8-11-23-13-16/h5-8,11,13,17H,3-4,9-10,12,14H2,1-2H3
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1.36E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [3H]-raclopride binding to cloned human D2A receptors expressed in mouse fibroblast (LtK-) cells


Bioorg Med Chem Lett 9: 1583-6 (1999)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 2A


(Homo sapiens)
BDBM50395076
PNG
(CHEMBL2164243)
Show SMILES CN(C)NC(=O)CCC(O)=O
Show InChI InChI=1S/C6H12N2O3/c1-8(2)7-5(9)3-4-6(10)11/h3-4H2,1-2H3,(H,7,9)(H,10,11)
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1.97E+3n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Competitive inhibition of human KDM2A expressed in Escherichia coli using 2-oxoglutarate by enzyme kinetic assay


J Med Chem 55: 6639-43 (2012)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50020220
PNG
(3-Dipropylamino-chroman-8-ol | CHEMBL38428)
Show SMILES CCCN(CCC)C1COc2c(O)cccc2C1
Show InChI InChI=1S/C15H23NO2/c1-3-8-16(9-4-2)13-10-12-6-5-7-14(17)15(12)18-11-13/h5-7,13,17H,3-4,8-11H2,1-2H3
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>3.00E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [3H]-8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor in rat cortical membranes


Bioorg Med Chem Lett 9: 1583-6 (1999)

More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50036864
PNG
(3-Dipropylamino-chroman-5-ol | CHEMBL27995)
Show SMILES CCCN(CCC)C1COc2cccc(O)c2C1
Show InChI InChI=1S/C15H23NO2/c1-3-8-16(9-4-2)12-10-13-14(17)6-5-7-15(13)18-11-12/h5-7,12,17H,3-4,8-11H2,1-2H3
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>3.00E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [3H]-raclopride binding to cloned human D2A receptors expressed in mouse fibroblast (LtK-) cells


Bioorg Med Chem Lett 9: 1583-6 (1999)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 2A


(Homo sapiens)
BDBM50395076
PNG
(CHEMBL2164243)
Show SMILES CN(C)NC(=O)CCC(O)=O
Show InChI InChI=1S/C6H12N2O3/c1-8(2)7-5(9)3-4-6(10)11/h3-4H2,1-2H3,(H,7,9)(H,10,11)
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8.50E+4n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Mixed type inhibition of human KDM2A expressed in Escherichia coli assessed inhibition constant for compound-enzyme-substrate complex using methyl ly...


J Med Chem 55: 6639-43 (2012)

More data for this
Ligand-Target Pair
Histone Lysine Demethylase


(Homo sapiens (human))
BDBM50395083
PNG
(CHEMBL2164246)
Show SMILES NNC(=O)CCC(O)=O
Show InChI InChI=1S/C4H8N2O3/c5-6-3(7)1-2-4(8)9/h1-2,5H2,(H,6,7)(H,8,9)
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n/an/a 200n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human KDM4E expressed in Escherichia coli using methyl lysine peptide substrate by AlphaScreen assay


J Med Chem 55: 6639-43 (2012)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 2A


(Homo sapiens)
BDBM50395083
PNG
(CHEMBL2164246)
Show SMILES NNC(=O)CCC(O)=O
Show InChI InChI=1S/C4H8N2O3/c5-6-3(7)1-2-4(8)9/h1-2,5H2,(H,6,7)(H,8,9)
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n/an/a 250n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human KDM2A expressed in Escherichia coli using methyl lysine peptide substrate by AlphaScreen assay


J Med Chem 55: 6639-43 (2012)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 2A


(Homo sapiens)
BDBM50395078
PNG
(CHEMBL2164245)
Show SMILES CNNC(=O)CCC(O)=O
Show InChI InChI=1S/C5H10N2O3/c1-6-7-4(8)2-3-5(9)10/h6H,2-3H2,1H3,(H,7,8)(H,9,10)
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n/an/a 370n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human KDM2A expressed in Escherichia coli using methyl lysine peptide substrate by AlphaScreen assay


J Med Chem 55: 6639-43 (2012)

More data for this
Ligand-Target Pair
Histone Lysine Demethylase


(Homo sapiens (human))
BDBM50129197
PNG
(4-(Hydroxyamino)-4-oxobutanoic acid | CHEMBL51979 ...)
Show SMILES ONC(=O)CCC(O)=O
Show InChI InChI=1S/C4H7NO4/c6-3(5-9)1-2-4(7)8/h9H,1-2H2,(H,5,6)(H,7,8)
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n/an/a 400n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human KDM4E expressed in Escherichia coli using methyl lysine peptide substrate by AlphaScreen assay


J Med Chem 55: 6639-43 (2012)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 2A


(Homo sapiens)
BDBM50129197
PNG
(4-(Hydroxyamino)-4-oxobutanoic acid | CHEMBL51979 ...)
Show SMILES ONC(=O)CCC(O)=O
Show InChI InChI=1S/C4H7NO4/c6-3(5-9)1-2-4(7)8/h9H,1-2H2,(H,5,6)(H,7,8)
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n/an/a 430n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human KDM2A expressed in Escherichia coli using methyl lysine peptide substrate by AlphaScreen assay


J Med Chem 55: 6639-43 (2012)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5C


(Homo sapiens)
BDBM50395083
PNG
(CHEMBL2164246)
Show SMILES NNC(=O)CCC(O)=O
Show InChI InChI=1S/C4H8N2O3/c5-6-3(7)1-2-4(8)9/h1-2,5H2,(H,6,7)(H,8,9)
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n/an/a 480n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human KDM5C catalytic domain expressed in Sf9 cells using methyl lysine peptide substrate by AlphaScreen assay


J Med Chem 55: 6639-43 (2012)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 7B (KDM7B)


(Homo sapiens (Human))
BDBM50395083
PNG
(CHEMBL2164246)
Show SMILES NNC(=O)CCC(O)=O
Show InChI InChI=1S/C4H8N2O3/c5-6-3(7)1-2-4(8)9/h1-2,5H2,(H,6,7)(H,8,9)
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n/an/a 480n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human PHF8 expressed in Escherichia coli using methyl lysine peptide substrate by AlphaScreen assay


J Med Chem 55: 6639-43 (2012)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 7B (KDM7B)


(Homo sapiens (Human))
BDBM50395076
PNG
(CHEMBL2164243)
Show SMILES CN(C)NC(=O)CCC(O)=O
Show InChI InChI=1S/C6H12N2O3/c1-8(2)7-5(9)3-4-6(10)11/h3-4H2,1-2H3,(H,7,9)(H,10,11)
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n/an/a 550n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human PHF8 expressed in Escherichia coli using methyl lysine peptide substrate by AlphaScreen assay


J Med Chem 55: 6639-43 (2012)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific demethylase 2A


(Homo sapiens)
BDBM50197063
PNG
(4,6-dioxoheptanoic acid | CHEMBL222824 | succinyla...)
Show SMILES CC(=O)CC(=O)CCC(O)=O
Show InChI InChI=1S/C7H10O4/c1-5(8)4-6(9)2-3-7(10)11/h2-4H2,1H3,(H,10,11)
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n/an/a 570n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human KDM2A expressed in Escherichia coli using methyl lysine peptide substrate by AlphaScreen assay


J Med Chem 55: 6639-43 (2012)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5C


(Homo sapiens)
BDBM50395078
PNG
(CHEMBL2164245)
Show SMILES CNNC(=O)CCC(O)=O
Show InChI InChI=1S/C5H10N2O3/c1-6-7-4(8)2-3-5(9)10/h6H,2-3H2,1H3,(H,7,8)(H,9,10)
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n/an/a 1.10E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human KDM5C catalytic domain expressed in Sf9 cells using methyl lysine peptide substrate by AlphaScreen assay


J Med Chem 55: 6639-43 (2012)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 6B (KDM6B)


(Homo sapiens (Human))
BDBM50129197
PNG
(4-(Hydroxyamino)-4-oxobutanoic acid | CHEMBL51979 ...)
Show SMILES ONC(=O)CCC(O)=O
Show InChI InChI=1S/C4H7NO4/c6-3(5-9)1-2-4(7)8/h9H,1-2H2,(H,5,6)(H,7,8)
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n/an/a 1.10E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human KDM6B catalytic domain expressed in Escherichia coli using methyl lysine peptide substrate by AlphaScreen assay


J Med Chem 55: 6639-43 (2012)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 2A


(Homo sapiens)
BDBM50395076
PNG
(CHEMBL2164243)
Show SMILES CN(C)NC(=O)CCC(O)=O
Show InChI InChI=1S/C6H12N2O3/c1-8(2)7-5(9)3-4-6(10)11/h3-4H2,1-2H3,(H,7,9)(H,10,11)
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n/an/a 1.50E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human KDM2A expressed in Escherichia coli using methyl lysine peptide substrate by AlphaScreen assay


J Med Chem 55: 6639-43 (2012)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 2A


(Homo sapiens)
BDBM50395076
PNG
(CHEMBL2164243)
Show SMILES CN(C)NC(=O)CCC(O)=O
Show InChI InChI=1S/C6H12N2O3/c1-8(2)7-5(9)3-4-6(10)11/h3-4H2,1-2H3,(H,7,9)(H,10,11)
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n/an/a 1.50E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human KDM2A expressed in Escherichia coli by formaldehyde dehydrogenase coupled assay


J Med Chem 55: 6639-43 (2012)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 7B (KDM7B)


(Homo sapiens (Human))
BDBM50129197
PNG
(4-(Hydroxyamino)-4-oxobutanoic acid | CHEMBL51979 ...)
Show SMILES ONC(=O)CCC(O)=O
Show InChI InChI=1S/C4H7NO4/c6-3(5-9)1-2-4(7)8/h9H,1-2H2,(H,5,6)(H,7,8)
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n/an/a 1.70E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human PHF8 expressed in Escherichia coli using methyl lysine peptide substrate by AlphaScreen assay


J Med Chem 55: 6639-43 (2012)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5C


(Homo sapiens)
BDBM50129197
PNG
(4-(Hydroxyamino)-4-oxobutanoic acid | CHEMBL51979 ...)
Show SMILES ONC(=O)CCC(O)=O
Show InChI InChI=1S/C4H7NO4/c6-3(5-9)1-2-4(7)8/h9H,1-2H2,(H,5,6)(H,7,8)
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n/an/a 1.90E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human KDM5C catalytic domain expressed in Sf9 cells using methyl lysine peptide substrate by AlphaScreen assay


J Med Chem 55: 6639-43 (2012)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 7


(Homo sapiens)
BDBM50395076
PNG
(CHEMBL2164243)
Show SMILES CN(C)NC(=O)CCC(O)=O
Show InChI InChI=1S/C6H12N2O3/c1-8(2)7-5(9)3-4-6(10)11/h3-4H2,1-2H3,(H,7,9)(H,10,11)
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n/an/a 2.10E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human KDM7A catalytic domain expressed in Escherichia coli by MALDI assay


J Med Chem 55: 6639-43 (2012)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 7B (KDM7B)


(Homo sapiens (Human))
BDBM50197063
PNG
(4,6-dioxoheptanoic acid | CHEMBL222824 | succinyla...)
Show SMILES CC(=O)CC(=O)CCC(O)=O
Show InChI InChI=1S/C7H10O4/c1-5(8)4-6(9)2-3-7(10)11/h2-4H2,1H3,(H,10,11)
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n/an/a 2.30E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human PHF8 expressed in Escherichia coli using methyl lysine peptide substrate by AlphaScreen assay


J Med Chem 55: 6639-43 (2012)

More data for this
Ligand-Target Pair
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