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Compile Data Set for Download or QSAR

Found 484 hits with Last Name = 'suto' and Initial = 'c'   
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
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50010698
PNG
((-)6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]qu...)
Show SMILES CN1CCc2cc(O)cc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r|
Show InChI InChI=1S/C17H17NO3/c1-18-5-4-10-6-11(19)8-12-15(10)13(18)7-9-2-3-14(20)17(21)16(9)12/h2-3,6,8,13,19-21H,4-5,7H2,1H3/t13-/m1/s1
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0.380n/an/an/an/an/an/an/an/a



University of Debrecen

Curated by ChEMBL


Assay Description
Displacement of [3H]raclopride from dopamine D2 receptor in rat striatal membrane


Bioorg Med Chem 16: 4563-8 (2008)


Article DOI: 10.1016/j.bmc.2008.02.038
BindingDB Entry DOI: 10.7270/Q24J0DW0
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50016786
PNG
((R)-2-Fluoro-6-methyl-5,6,6a,7-tetrahydro-4H-diben...)
Show SMILES CN1CCc2cc(F)cc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r|
Show InChI InChI=1S/C17H16FNO2/c1-19-5-4-10-6-11(18)8-12-15(10)13(19)7-9-2-3-14(20)17(21)16(9)12/h2-3,6,8,13,20-21H,4-5,7H2,1H3/t13-/m1/s1
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0.430n/an/an/an/an/an/an/an/a



University of Debrecen

Curated by ChEMBL


Assay Description
Displacement of [3H]raclopride from dopamine D2 receptor in rat striatal membrane


Bioorg Med Chem 16: 4563-8 (2008)


Article DOI: 10.1016/j.bmc.2008.02.038
BindingDB Entry DOI: 10.7270/Q24J0DW0
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50010697
PNG
((R)-(-)-2-methoxyapomorphine | (R)-2-Methoxy-6-met...)
Show SMILES COc1cc2CCN(C)[C@@H]3Cc4ccc(O)c(O)c4-c(c1)c23 |r|
Show InChI InChI=1S/C18H19NO3/c1-19-6-5-11-7-12(22-2)9-13-16(11)14(19)8-10-3-4-15(20)18(21)17(10)13/h3-4,7,9,14,20-21H,5-6,8H2,1-2H3/t14-/m1/s1
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1.12n/an/an/an/an/an/an/an/a



University of Debrecen

Curated by ChEMBL


Assay Description
Displacement of [3H]raclopride from dopamine D2 receptor in rat striatal membrane


Bioorg Med Chem 16: 4563-8 (2008)


Article DOI: 10.1016/j.bmc.2008.02.038
BindingDB Entry DOI: 10.7270/Q24J0DW0
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50251027
PNG
((R)-(-)-2-(4-Hydroxyphenyl)-apomorphine hydrochlor...)
Show SMILES CN1CCc2cc(cc-3c2[C@H]1Cc1ccc(O)c(O)c-31)-c1ccc(O)cc1 |r|
Show InChI InChI=1S/C23H21NO3/c1-24-9-8-15-10-16(13-2-5-17(25)6-3-13)11-18-21(15)19(24)12-14-4-7-20(26)23(27)22(14)18/h2-7,10-11,19,25-27H,8-9,12H2,1H3/t19-/m1/s1
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3.80n/an/an/an/an/an/an/an/a



University of Debrecen

Curated by ChEMBL


Assay Description
Displacement of [3H]raclopride from human cloned dopamine D2 receptor expressed in CHO cell membrane


Bioorg Med Chem 16: 4563-8 (2008)


Article DOI: 10.1016/j.bmc.2008.02.038
BindingDB Entry DOI: 10.7270/Q24J0DW0
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50001955
PNG
((-)6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]qu...)
Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r|
Show InChI InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m1/s1
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11.1n/an/an/an/an/an/an/an/a



University of Debrecen

Curated by ChEMBL


Assay Description
Displacement of [3H]raclopride from dopamine D2 receptor in rat striatal membrane


Bioorg Med Chem 16: 4563-8 (2008)


Article DOI: 10.1016/j.bmc.2008.02.038
BindingDB Entry DOI: 10.7270/Q24J0DW0
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50010696
PNG
((R)-2-Bromo-6-methyl-5,6,6a,7-tetrahydro-4H-dibenz...)
Show SMILES CN1CCc2cc(Br)cc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r|
Show InChI InChI=1S/C17H16BrNO2/c1-19-5-4-10-6-11(18)8-12-15(10)13(19)7-9-2-3-14(20)17(21)16(9)12/h2-3,6,8,13,20-21H,4-5,7H2,1H3/t13-/m1/s1
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17.7n/an/an/an/an/an/an/an/a



University of Debrecen

Curated by ChEMBL


Assay Description
Displacement of [3H]raclopride from dopamine D2 receptor in rat striatal membrane


Bioorg Med Chem 16: 4563-8 (2008)


Article DOI: 10.1016/j.bmc.2008.02.038
BindingDB Entry DOI: 10.7270/Q24J0DW0
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50016785
PNG
((R)-2-Amino-6-methyl-5,6,6a,7-tetrahydro-4H-dibenz...)
Show SMILES CN1CCc2cc(N)cc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r|
Show InChI InChI=1S/C17H18N2O2/c1-19-5-4-10-6-11(18)8-12-15(10)13(19)7-9-2-3-14(20)17(21)16(9)12/h2-3,6,8,13,20-21H,4-5,7,18H2,1H3/t13-/m1/s1
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19.9n/an/an/an/an/an/an/an/a



University of Debrecen

Curated by ChEMBL


Assay Description
Displacement of [3H]raclopride from dopamine D2 receptor in rat striatal membrane


Bioorg Med Chem 16: 4563-8 (2008)


Article DOI: 10.1016/j.bmc.2008.02.038
BindingDB Entry DOI: 10.7270/Q24J0DW0
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50001955
PNG
((-)6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]qu...)
Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r|
Show InChI InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m1/s1
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32n/an/an/an/an/an/an/an/a



University of Debrecen

Curated by ChEMBL


Assay Description
Displacement of [3H]raclopride from rat dopamine D2(short) receptor expressed in CHOK1 cells


Bioorg Med Chem 16: 4563-8 (2008)


Article DOI: 10.1016/j.bmc.2008.02.038
BindingDB Entry DOI: 10.7270/Q24J0DW0
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50001955
PNG
((-)6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]qu...)
Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r|
Show InChI InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m1/s1
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32n/an/an/an/an/an/an/an/a



University of Debrecen

Curated by ChEMBL


Assay Description
Displacement of [3H]raclopride from human cloned dopamine D2 receptor expressed in CHO cell membrane


Bioorg Med Chem 16: 4563-8 (2008)


Article DOI: 10.1016/j.bmc.2008.02.038
BindingDB Entry DOI: 10.7270/Q24J0DW0
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50251320
PNG
((R)-2-Ethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-diben...)
Show SMILES CCOc1cc2CCN(C)[C@@H]3Cc4ccc(O)c(O)c4-c(c1)c23 |r|
Show InChI InChI=1S/C19H21NO3/c1-3-23-13-8-12-6-7-20(2)15-9-11-4-5-16(21)19(22)18(11)14(10-13)17(12)15/h4-5,8,10,15,21-22H,3,6-7,9H2,1-2H3/t15-/m1/s1
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44n/an/an/an/an/an/an/an/a



University of Debrecen

Curated by ChEMBL


Assay Description
Displacement of [3H]raclopride from rat dopamine D2(short) receptor expressed in CHOK1 cells


Bioorg Med Chem 16: 4563-8 (2008)


Article DOI: 10.1016/j.bmc.2008.02.038
BindingDB Entry DOI: 10.7270/Q24J0DW0
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50251314
PNG
((R)-6-Methyl-2-methylsulfanyl-5,6,6a,7-tetrahydro-...)
Show SMILES CSc1cc2CCN(C)[C@@H]3Cc4ccc(O)c(O)c4-c(c1)c23 |r|
Show InChI InChI=1S/C18H19NO2S/c1-19-6-5-11-7-12(22-2)9-13-16(11)14(19)8-10-3-4-15(20)18(21)17(10)13/h3-4,7,9,14,20-21H,5-6,8H2,1-2H3/t14-/m1/s1
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54.7n/an/an/an/an/an/an/an/a



University of Debrecen

Curated by ChEMBL


Assay Description
Displacement of [3H]raclopride from dopamine D2 receptor in rat striatal membrane


Bioorg Med Chem 16: 4563-8 (2008)


Article DOI: 10.1016/j.bmc.2008.02.038
BindingDB Entry DOI: 10.7270/Q24J0DW0
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50251327
PNG
((R)-2-Butoxy-6-methyl-5,6,6a,7-tetrahydro-4H-diben...)
Show SMILES CCCCOc1cc2CCN(C)[C@@H]3Cc4ccc(O)c(O)c4-c(c1)c23 |r|
Show InChI InChI=1S/C21H25NO3/c1-3-4-9-25-15-10-14-7-8-22(2)17-11-13-5-6-18(23)21(24)20(13)16(12-15)19(14)17/h5-6,10,12,17,23-24H,3-4,7-9,11H2,1-2H3/t17-/m1/s1
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60n/an/an/an/an/an/an/an/a



University of Debrecen

Curated by ChEMBL


Assay Description
Displacement of [3H]raclopride from rat dopamine D2(short) receptor expressed in CHOK1 cells


Bioorg Med Chem 16: 4563-8 (2008)


Article DOI: 10.1016/j.bmc.2008.02.038
BindingDB Entry DOI: 10.7270/Q24J0DW0
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50251321
PNG
((R)-6-Methyl-2-propoxy-5,6,6a,7-tetrahydro-4H-dibe...)
Show SMILES CCCOc1cc2CCN(C)[C@@H]3Cc4ccc(O)c(O)c4-c(c1)c23 |r|
Show InChI InChI=1S/C20H23NO3/c1-3-8-24-14-9-13-6-7-21(2)16-10-12-4-5-17(22)20(23)19(12)15(11-14)18(13)16/h4-5,9,11,16,22-23H,3,6-8,10H2,1-2H3/t16-/m1/s1
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75n/an/an/an/an/an/an/an/a



University of Debrecen

Curated by ChEMBL


Assay Description
Displacement of [3H]raclopride from rat dopamine D2(short) receptor expressed in CHOK1 cells


Bioorg Med Chem 16: 4563-8 (2008)


Article DOI: 10.1016/j.bmc.2008.02.038
BindingDB Entry DOI: 10.7270/Q24J0DW0
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50251026
PNG
((R)-(-)-2-Phenyl-apomorphine hydrochloride | CHEMB...)
Show SMILES CN1CCc2cc(cc-3c2[C@H]1Cc1ccc(O)c(O)c-31)-c1ccccc1 |r|
Show InChI InChI=1S/C23H21NO2/c1-24-10-9-16-11-17(14-5-3-2-4-6-14)12-18-21(16)19(24)13-15-7-8-20(25)23(26)22(15)18/h2-8,11-12,19,25-26H,9-10,13H2,1H3/t19-/m1/s1
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88n/an/an/an/an/an/an/an/a



University of Debrecen

Curated by ChEMBL


Assay Description
Displacement of [3H]raclopride from human cloned dopamine D2 receptor expressed in CHO cell membrane


Bioorg Med Chem 16: 4563-8 (2008)


Article DOI: 10.1016/j.bmc.2008.02.038
BindingDB Entry DOI: 10.7270/Q24J0DW0
More data for this
Ligand-Target Pair
Dopamine D1 receptor


(Mus musculus (Mouse))
BDBM50001955
PNG
((-)6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]qu...)
Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r|
Show InChI InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m1/s1
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101n/an/an/an/an/an/an/an/a



University of Debrecen

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from dopamine D1 receptor in mouse Ltk- fibroblast cells


Bioorg Med Chem 16: 4563-8 (2008)


Article DOI: 10.1016/j.bmc.2008.02.038
BindingDB Entry DOI: 10.7270/Q24J0DW0
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50251330
PNG
(1,2-Bis-[R-(-)-apomorphine-2'-oxy]ethane | CHEMBL4...)
Show SMILES CN1CCc2cc(OCCOc3cc4CCN(C)[C@@H]5Cc6ccc(O)c(O)c6-c(c3)c45)cc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r|
Show InChI InChI=1S/C36H36N2O6/c1-37-9-7-21-13-23(17-25-31(21)27(37)15-19-3-5-29(39)35(41)33(19)25)43-11-12-44-24-14-22-8-10-38(2)28-16-20-4-6-30(40)36(42)34(20)26(18-24)32(22)28/h3-6,13-14,17-18,27-28,39-42H,7-12,15-16H2,1-2H3/t27-,28-/m1/s1
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345n/an/an/an/an/an/an/an/a



University of Debrecen

Curated by ChEMBL


Assay Description
Displacement of [3H]raclopride from rat dopamine D2(short) receptor expressed in CHOK1 cells


Bioorg Med Chem 16: 4563-8 (2008)


Article DOI: 10.1016/j.bmc.2008.02.038
BindingDB Entry DOI: 10.7270/Q24J0DW0
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50251328
PNG
(CHEMBL457275 | [R-(-)-Apomorphine-2-yl]-(2'-hydrox...)
Show SMILES CN1CCc2cc(OCCO)cc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r|
Show InChI InChI=1S/C19H21NO4/c1-20-5-4-12-8-13(24-7-6-21)10-14-17(12)15(20)9-11-2-3-16(22)19(23)18(11)14/h2-3,8,10,15,21-23H,4-7,9H2,1H3/t15-/m1/s1
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347n/an/an/an/an/an/an/an/a



University of Debrecen

Curated by ChEMBL


Assay Description
Displacement of [3H]raclopride from rat dopamine D2(short) receptor expressed in CHOK1 cells


Bioorg Med Chem 16: 4563-8 (2008)


Article DOI: 10.1016/j.bmc.2008.02.038
BindingDB Entry DOI: 10.7270/Q24J0DW0
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50251329
PNG
(2-{[R-(-)-Apomorphine-2'-oxy]ethoxy}-ethanol | CHE...)
Show SMILES CN1CCc2cc(OCCOCCO)cc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r|
Show InChI InChI=1S/C21H25NO5/c1-22-5-4-14-10-15(27-9-8-26-7-6-23)12-16-19(14)17(22)11-13-2-3-18(24)21(25)20(13)16/h2-3,10,12,17,23-25H,4-9,11H2,1H3/t17-/m1/s1
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587n/an/an/an/an/an/an/an/a



University of Debrecen

Curated by ChEMBL


Assay Description
Displacement of [3H]raclopride from rat dopamine D2(short) receptor expressed in CHOK1 cells


Bioorg Med Chem 16: 4563-8 (2008)


Article DOI: 10.1016/j.bmc.2008.02.038
BindingDB Entry DOI: 10.7270/Q24J0DW0
More data for this
Ligand-Target Pair
Dopamine D1 receptor


(Mus musculus (Mouse))
BDBM50251327
PNG
((R)-2-Butoxy-6-methyl-5,6,6a,7-tetrahydro-4H-diben...)
Show SMILES CCCCOc1cc2CCN(C)[C@@H]3Cc4ccc(O)c(O)c4-c(c1)c23 |r|
Show InChI InChI=1S/C21H25NO3/c1-3-4-9-25-15-10-14-7-8-22(2)17-11-13-5-6-18(23)21(24)20(13)16(12-15)19(14)17/h5-6,10,12,17,23-24H,3-4,7-9,11H2,1-2H3/t17-/m1/s1
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2.10E+3n/an/an/an/an/an/an/an/a



University of Debrecen

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from dopamine D1 receptor in mouse Ltk- fibroblast cells


Bioorg Med Chem 16: 4563-8 (2008)


Article DOI: 10.1016/j.bmc.2008.02.038
BindingDB Entry DOI: 10.7270/Q24J0DW0
More data for this
Ligand-Target Pair
Dopamine D1 receptor


(Mus musculus (Mouse))
BDBM50251320
PNG
((R)-2-Ethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-diben...)
Show SMILES CCOc1cc2CCN(C)[C@@H]3Cc4ccc(O)c(O)c4-c(c1)c23 |r|
Show InChI InChI=1S/C19H21NO3/c1-3-23-13-8-12-6-7-20(2)15-9-11-4-5-16(21)19(22)18(11)14(10-13)17(12)15/h4-5,8,10,15,21-22H,3,6-7,9H2,1-2H3/t15-/m1/s1
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2.90E+3n/an/an/an/an/an/an/an/a



University of Debrecen

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from dopamine D1 receptor in mouse Ltk- fibroblast cells


Bioorg Med Chem 16: 4563-8 (2008)


Article DOI: 10.1016/j.bmc.2008.02.038
BindingDB Entry DOI: 10.7270/Q24J0DW0
More data for this
Ligand-Target Pair
Dopamine D1 receptor


(Mus musculus (Mouse))
BDBM50251321
PNG
((R)-6-Methyl-2-propoxy-5,6,6a,7-tetrahydro-4H-dibe...)
Show SMILES CCCOc1cc2CCN(C)[C@@H]3Cc4ccc(O)c(O)c4-c(c1)c23 |r|
Show InChI InChI=1S/C20H23NO3/c1-3-8-24-14-9-13-6-7-21(2)16-10-12-4-5-17(22)20(23)19(12)15(11-14)18(13)16/h4-5,9,11,16,22-23H,3,6-8,10H2,1-2H3/t16-/m1/s1
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3.50E+3n/an/an/an/an/an/an/an/a



University of Debrecen

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from dopamine D1 receptor in mouse Ltk- fibroblast cells


Bioorg Med Chem 16: 4563-8 (2008)


Article DOI: 10.1016/j.bmc.2008.02.038
BindingDB Entry DOI: 10.7270/Q24J0DW0
More data for this
Ligand-Target Pair
Dopamine D1 receptor


(Mus musculus (Mouse))
BDBM50251330
PNG
(1,2-Bis-[R-(-)-apomorphine-2'-oxy]ethane | CHEMBL4...)
Show SMILES CN1CCc2cc(OCCOc3cc4CCN(C)[C@@H]5Cc6ccc(O)c(O)c6-c(c3)c45)cc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r|
Show InChI InChI=1S/C36H36N2O6/c1-37-9-7-21-13-23(17-25-31(21)27(37)15-19-3-5-29(39)35(41)33(19)25)43-11-12-44-24-14-22-8-10-38(2)28-16-20-4-6-30(40)36(42)34(20)26(18-24)32(22)28/h3-6,13-14,17-18,27-28,39-42H,7-12,15-16H2,1-2H3/t27-,28-/m1/s1
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5.20E+3n/an/an/an/an/an/an/an/a



University of Debrecen

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from dopamine D1 receptor in mouse Ltk- fibroblast cells


Bioorg Med Chem 16: 4563-8 (2008)


Article DOI: 10.1016/j.bmc.2008.02.038
BindingDB Entry DOI: 10.7270/Q24J0DW0
More data for this
Ligand-Target Pair
Dopamine D1 receptor


(Mus musculus (Mouse))
BDBM50251328
PNG
(CHEMBL457275 | [R-(-)-Apomorphine-2-yl]-(2'-hydrox...)
Show SMILES CN1CCc2cc(OCCO)cc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r|
Show InChI InChI=1S/C19H21NO4/c1-20-5-4-12-8-13(24-7-6-21)10-14-17(12)15(20)9-11-2-3-16(22)19(23)18(11)14/h2-3,8,10,15,21-23H,4-7,9H2,1H3/t15-/m1/s1
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5.30E+3n/an/an/an/an/an/an/an/a



University of Debrecen

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from dopamine D1 receptor in mouse Ltk- fibroblast cells


Bioorg Med Chem 16: 4563-8 (2008)


Article DOI: 10.1016/j.bmc.2008.02.038
BindingDB Entry DOI: 10.7270/Q24J0DW0
More data for this
Ligand-Target Pair
Dopamine D1 receptor


(Mus musculus (Mouse))
BDBM50251329
PNG
(2-{[R-(-)-Apomorphine-2'-oxy]ethoxy}-ethanol | CHE...)
Show SMILES CN1CCc2cc(OCCOCCO)cc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r|
Show InChI InChI=1S/C21H25NO5/c1-22-5-4-14-10-15(27-9-8-26-7-6-23)12-16-19(14)17(22)11-13-2-3-18(24)21(25)20(13)16/h2-3,10,12,17,23-25H,4-9,11H2,1H3/t17-/m1/s1
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7.60E+3n/an/an/an/an/an/an/an/a



University of Debrecen

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from dopamine D1 receptor in mouse Ltk- fibroblast cells


Bioorg Med Chem 16: 4563-8 (2008)


Article DOI: 10.1016/j.bmc.2008.02.038
BindingDB Entry DOI: 10.7270/Q24J0DW0
More data for this
Ligand-Target Pair
Dopamine D1 receptor


(Mus musculus (Mouse))
BDBM50251331
PNG
(Bis-{[R-(-)-apomorphine-2-oxy]ethyl} ether | CHEMB...)
Show SMILES CN1CCc2cc(OCCOCCOc3cc4CCN(C)[C@@H]5Cc6ccc(O)c(O)c6-c(c3)c45)cc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r|
Show InChI InChI=1S/C38H40N2O7/c1-39-9-7-23-15-25(19-27-33(23)29(39)17-21-3-5-31(41)37(43)35(21)27)46-13-11-45-12-14-47-26-16-24-8-10-40(2)30-18-22-4-6-32(42)38(44)36(22)28(20-26)34(24)30/h3-6,15-16,19-20,29-30,41-44H,7-14,17-18H2,1-2H3/t29-,30-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Debrecen

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from dopamine D1 receptor in mouse Ltk- fibroblast cells


Bioorg Med Chem 16: 4563-8 (2008)


Article DOI: 10.1016/j.bmc.2008.02.038
BindingDB Entry DOI: 10.7270/Q24J0DW0
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50251331
PNG
(Bis-{[R-(-)-apomorphine-2-oxy]ethyl} ether | CHEMB...)
Show SMILES CN1CCc2cc(OCCOCCOc3cc4CCN(C)[C@@H]5Cc6ccc(O)c(O)c6-c(c3)c45)cc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r|
Show InChI InChI=1S/C38H40N2O7/c1-39-9-7-23-15-25(19-27-33(23)29(39)17-21-3-5-31(41)37(43)35(21)27)46-13-11-45-12-14-47-26-16-24-8-10-40(2)30-18-22-4-6-32(42)38(44)36(22)28(20-26)34(24)30/h3-6,15-16,19-20,29-30,41-44H,7-14,17-18H2,1-2H3/t29-,30-/m1/s1
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1.72E+4n/an/an/an/an/an/an/an/a



University of Debrecen

Curated by ChEMBL


Assay Description
Displacement of [3H]raclopride from rat dopamine D2(short) receptor expressed in CHOK1 cells


Bioorg Med Chem 16: 4563-8 (2008)


Article DOI: 10.1016/j.bmc.2008.02.038
BindingDB Entry DOI: 10.7270/Q24J0DW0
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Muscle


(RAT)
BDBM82070
PNG
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Show SMILES CN1CCC[C@H]1c1cccnc1 |r|
Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1
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n/an/a 2.40n/an/an/an/an/an/a



SIBIA Neurosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards Nicotinic acetylcholine receptor by the displacement of [3H]-nicotine from rat cortical membranes


J Med Chem 42: 1684-6 (1999)


Article DOI: 10.1021/jm990035d
BindingDB Entry DOI: 10.7270/Q2QC02PQ
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50214432
PNG
(CHEMBL387924 | octanedioic acid hydroxyamide [4-(3...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1nc(cs1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C17H20N4O5S/c22-15(8-3-1-2-4-9-16(23)20-24)19-17-18-14(11-27-17)12-6-5-7-13(10-12)21(25)26/h5-7,10-11,24H,1-4,8-9H2,(H,20,23)(H,18,19,22)
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n/an/a 3.70n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of His-tagged HDAC6 expressed in Sf9 cells by fluorescence-based assay


J Med Chem 50: 3054-61 (2007)


Article DOI: 10.1021/jm070178x
BindingDB Entry DOI: 10.7270/Q26W99SW
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50214436
PNG
(CHEMBL389688 | octanedioic acid {2'-[2-amino-3-(1H...)
Show SMILES N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccccc1-c1ccc(NC(=O)CCCCCCC(=O)NO)cc1
Show InChI InChI=1S/C31H35N5O4/c32-26(19-22-20-33-27-11-7-5-10-25(22)27)31(39)35-28-12-8-6-9-24(28)21-15-17-23(18-16-21)34-29(37)13-3-1-2-4-14-30(38)36-40/h5-12,15-18,20,26,33,40H,1-4,13-14,19,32H2,(H,34,37)(H,35,39)(H,36,38)/t26-/m0/s1
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n/an/a 5.40n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of His-tagged HDAC6 expressed in Sf9 cells by fluorescence-based assay


J Med Chem 50: 3054-61 (2007)


Article DOI: 10.1021/jm070178x
BindingDB Entry DOI: 10.7270/Q26W99SW
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50214441
PNG
(CHEMBL389687 | octanedioic acid [2'-(2-amino-3-phe...)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1-c1ccc(NC(=O)CCCCCCC(=O)NO)cc1
Show InChI InChI=1S/C29H34N4O4/c30-25(20-21-10-4-3-5-11-21)29(36)32-26-13-9-8-12-24(26)22-16-18-23(19-17-22)31-27(34)14-6-1-2-7-15-28(35)33-37/h3-5,8-13,16-19,25,37H,1-2,6-7,14-15,20,30H2,(H,31,34)(H,32,36)(H,33,35)/t25-/m0/s1
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n/an/a 7.5n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of His-tagged HDAC6 expressed in Sf9 cells by fluorescence-based assay


J Med Chem 50: 3054-61 (2007)


Article DOI: 10.1021/jm070178x
BindingDB Entry DOI: 10.7270/Q26W99SW
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50214432
PNG
(CHEMBL387924 | octanedioic acid hydroxyamide [4-(3...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1nc(cs1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C17H20N4O5S/c22-15(8-3-1-2-4-9-16(23)20-24)19-17-18-14(11-27-17)12-6-5-7-13(10-12)21(25)26/h5-7,10-11,24H,1-4,8-9H2,(H,20,23)(H,18,19,22)
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n/an/a 8.5n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of His-tagged HDAC1 expressed in Sf9 cells by fluorescence-based assay


J Med Chem 50: 3054-61 (2007)


Article DOI: 10.1021/jm070178x
BindingDB Entry DOI: 10.7270/Q26W99SW
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50214439
PNG
(CHEMBL227170 | octanedioic acid {2'-[2-amino-3-(4-...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccccc1-c1ccc(NC(=O)CCCCCCC(=O)NO)cc1
Show InChI InChI=1S/C29H34N4O5/c30-25(19-20-11-17-23(34)18-12-20)29(37)32-26-8-6-5-7-24(26)21-13-15-22(16-14-21)31-27(35)9-3-1-2-4-10-28(36)33-38/h5-8,11-18,25,34,38H,1-4,9-10,19,30H2,(H,31,35)(H,32,37)(H,33,36)/t25-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of His-tagged HDAC6 expressed in Sf9 cells by fluorescence-based assay


J Med Chem 50: 3054-61 (2007)


Article DOI: 10.1021/jm070178x
BindingDB Entry DOI: 10.7270/Q26W99SW
More data for this
Ligand-Target Pair
Histone Deacetylase 10 (HDAC10)


(Homo sapiens (Human))
BDBM50214432
PNG
(CHEMBL387924 | octanedioic acid hydroxyamide [4-(3...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1nc(cs1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C17H20N4O5S/c22-15(8-3-1-2-4-9-16(23)20-24)19-17-18-14(11-27-17)12-6-5-7-13(10-12)21(25)26/h5-7,10-11,24H,1-4,8-9H2,(H,20,23)(H,18,19,22)
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n/an/a 11.1n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of His-tagged HDAC10 expressed in Sf9 cells by fluorescence-based assay


J Med Chem 50: 3054-61 (2007)


Article DOI: 10.1021/jm070178x
BindingDB Entry DOI: 10.7270/Q26W99SW
More data for this
Ligand-Target Pair
Proto-oncogene c-JUN/protein c-fos


(Homo sapiens (Human))
BDBM50090430
PNG
(4-(3-Methyl-2,5-dioxo-2,5-dihydro-pyrrol-1-ylamino...)
Show SMILES CCOC(=O)c1cnc(nc1NN1C(=O)C=C(C)C1=O)-c1cccs1 |t:16|
Show InChI InChI=1S/C16H14N4O4S/c1-3-24-16(23)10-8-17-14(11-5-4-6-25-11)18-13(10)19-20-12(21)7-9(2)15(20)22/h4-8H,3H2,1-2H3,(H,17,18,19)
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n/an/a 20n/an/an/an/an/an/a



Signal Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of AP-1 (activator protein-1) mediated transcriptional activation in Jurkat T-cells


Bioorg Med Chem Lett 10: 1645-8 (2000)


BindingDB Entry DOI: 10.7270/Q2F190XH
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50214436
PNG
(CHEMBL389688 | octanedioic acid {2'-[2-amino-3-(1H...)
Show SMILES N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccccc1-c1ccc(NC(=O)CCCCCCC(=O)NO)cc1
Show InChI InChI=1S/C31H35N5O4/c32-26(19-22-20-33-27-11-7-5-10-25(22)27)31(39)35-28-12-8-6-9-24(28)21-15-17-23(18-16-21)34-29(37)13-3-1-2-4-14-30(38)36-40/h5-12,15-18,20,26,33,40H,1-4,13-14,19,32H2,(H,34,37)(H,35,39)(H,36,38)/t26-/m0/s1
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n/an/a 26.7n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of His-tagged HDAC1 expressed in Sf9 cells by fluorescence-based assay


J Med Chem 50: 3054-61 (2007)


Article DOI: 10.1021/jm070178x
BindingDB Entry DOI: 10.7270/Q26W99SW
More data for this
Ligand-Target Pair
Histone Deacetylase 10 (HDAC10)


(Homo sapiens (Human))
BDBM50214436
PNG
(CHEMBL389688 | octanedioic acid {2'-[2-amino-3-(1H...)
Show SMILES N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccccc1-c1ccc(NC(=O)CCCCCCC(=O)NO)cc1
Show InChI InChI=1S/C31H35N5O4/c32-26(19-22-20-33-27-11-7-5-10-25(22)27)31(39)35-28-12-8-6-9-24(28)21-15-17-23(18-16-21)34-29(37)13-3-1-2-4-14-30(38)36-40/h5-12,15-18,20,26,33,40H,1-4,13-14,19,32H2,(H,34,37)(H,35,39)(H,36,38)/t26-/m0/s1
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n/an/a 28.3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of His-tagged HDAC10 expressed in Sf9 cells by fluorescence-based assay


J Med Chem 50: 3054-61 (2007)


Article DOI: 10.1021/jm070178x
BindingDB Entry DOI: 10.7270/Q26W99SW
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50214433
PNG
(1-(4-(dimethylamino)phenyl)-3-(7-(hydroxyamino)-7-...)
Show SMILES CN(C)c1ccc(NC(=O)NCCCCCCC(=O)NO)cc1
Show InChI InChI=1S/C16H26N4O3/c1-20(2)14-10-8-13(9-11-14)18-16(22)17-12-6-4-3-5-7-15(21)19-23/h8-11,23H,3-7,12H2,1-2H3,(H,19,21)(H2,17,18,22)
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n/an/a 34.5n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of His-tagged HDAC6 expressed in Sf9 cells by fluorescence-based assay


J Med Chem 50: 3054-61 (2007)


Article DOI: 10.1021/jm070178x
BindingDB Entry DOI: 10.7270/Q26W99SW
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50214439
PNG
(CHEMBL227170 | octanedioic acid {2'-[2-amino-3-(4-...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccccc1-c1ccc(NC(=O)CCCCCCC(=O)NO)cc1
Show InChI InChI=1S/C29H34N4O5/c30-25(19-20-11-17-23(34)18-12-20)29(37)32-26-8-6-5-7-24(26)21-13-15-22(16-14-21)31-27(35)9-3-1-2-4-10-28(36)33-38/h5-8,11-18,25,34,38H,1-4,9-10,19,30H2,(H,31,35)(H,32,37)(H,33,36)/t25-/m0/s1
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n/an/a 36.9n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of His-tagged HDAC1 expressed in Sf9 cells by fluorescence-based assay


J Med Chem 50: 3054-61 (2007)


Article DOI: 10.1021/jm070178x
BindingDB Entry DOI: 10.7270/Q26W99SW
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50214441
PNG
(CHEMBL389687 | octanedioic acid [2'-(2-amino-3-phe...)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1-c1ccc(NC(=O)CCCCCCC(=O)NO)cc1
Show InChI InChI=1S/C29H34N4O4/c30-25(20-21-10-4-3-5-11-21)29(36)32-26-13-9-8-12-24(26)22-16-18-23(19-17-22)31-27(34)14-6-1-2-7-15-28(35)33-37/h3-5,8-13,16-19,25,37H,1-2,6-7,14-15,20,30H2,(H,31,34)(H,32,36)(H,33,35)/t25-/m0/s1
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n/an/a 40.9n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of His-tagged HDAC1 expressed in Sf9 cells by fluorescence-based assay


J Med Chem 50: 3054-61 (2007)


Article DOI: 10.1021/jm070178x
BindingDB Entry DOI: 10.7270/Q26W99SW
More data for this
Ligand-Target Pair
Histone Deacetylase 10 (HDAC10)


(Homo sapiens (Human))
BDBM50214439
PNG
(CHEMBL227170 | octanedioic acid {2'-[2-amino-3-(4-...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccccc1-c1ccc(NC(=O)CCCCCCC(=O)NO)cc1
Show InChI InChI=1S/C29H34N4O5/c30-25(19-20-11-17-23(34)18-12-20)29(37)32-26-8-6-5-7-24(26)21-13-15-22(16-14-21)31-27(35)9-3-1-2-4-10-28(36)33-38/h5-8,11-18,25,34,38H,1-4,9-10,19,30H2,(H,31,35)(H,32,37)(H,33,36)/t25-/m0/s1
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n/an/a 42.1n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of His-tagged HDAC10 expressed in Sf9 cells by fluorescence-based assay


J Med Chem 50: 3054-61 (2007)


Article DOI: 10.1021/jm070178x
BindingDB Entry DOI: 10.7270/Q26W99SW
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50214431
PNG
(8-[3-(4-dimethylaminobenzyl)ureido]octanoic acid h...)
Show SMILES CN(C)c1ccc(CNC(=O)NCCC(=O)NO)cc1
Show InChI InChI=1S/C13H20N4O3/c1-17(2)11-5-3-10(4-6-11)9-15-13(19)14-8-7-12(18)16-20/h3-6,20H,7-9H2,1-2H3,(H,16,18)(H2,14,15,19)
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n/an/a 45.5n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of His-tagged HDAC6 expressed in Sf9 cells by fluorescence-based assay


J Med Chem 50: 3054-61 (2007)


Article DOI: 10.1021/jm070178x
BindingDB Entry DOI: 10.7270/Q26W99SW
More data for this
Ligand-Target Pair
Histone Deacetylase 10 (HDAC10)


(Homo sapiens (Human))
BDBM50214441
PNG
(CHEMBL389687 | octanedioic acid [2'-(2-amino-3-phe...)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1-c1ccc(NC(=O)CCCCCCC(=O)NO)cc1
Show InChI InChI=1S/C29H34N4O4/c30-25(20-21-10-4-3-5-11-21)29(36)32-26-13-9-8-12-24(26)22-16-18-23(19-17-22)31-27(34)14-6-1-2-7-15-28(35)33-37/h3-5,8-13,16-19,25,37H,1-2,6-7,14-15,20,30H2,(H,31,34)(H,32,36)(H,33,35)/t25-/m0/s1
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n/an/a 46.1n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of His-tagged HDAC10 expressed in Sf9 cells by fluorescence-based assay


J Med Chem 50: 3054-61 (2007)


Article DOI: 10.1021/jm070178x
BindingDB Entry DOI: 10.7270/Q26W99SW
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50161470
PNG
(6-(2-Mercapto-acetylamino)-hexanoic acid quinolin-...)
Show SMILES SCC(=O)NCCCCCC(=O)Nc1cccc2cccnc12
Show InChI InChI=1S/C17H21N3O2S/c21-15(9-2-1-3-10-18-16(22)12-23)20-14-8-4-6-13-7-5-11-19-17(13)14/h4-8,11,23H,1-3,9-10,12H2,(H,18,22)(H,20,21)
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n/an/a 95.3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of His-tagged HDAC6 expressed in Sf9 cells by fluorescence-based assay


J Med Chem 50: 3054-61 (2007)


Article DOI: 10.1021/jm070178x
BindingDB Entry DOI: 10.7270/Q26W99SW
More data for this
Ligand-Target Pair
Proto-oncogene c-JUN/protein c-fos


(Homo sapiens (Human))
BDBM50090444
PNG
(4-(3-Methyl-2,5-dioxo-2,5-dihydro-pyrrol-1-ylamino...)
Show SMILES CCOC(=O)c1cnc(nc1NN1C(=O)C=C(C)C1=O)-c1ccccc1 |t:16|
Show InChI InChI=1S/C18H16N4O4/c1-3-26-18(25)13-10-19-15(12-7-5-4-6-8-12)20-16(13)21-22-14(23)9-11(2)17(22)24/h4-10H,3H2,1-2H3,(H,19,20,21)
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n/an/a 100n/an/an/an/an/an/a



Signal Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of AP-1 (activator protein-1) mediated transcriptional activation in Jurkat T-cells


Bioorg Med Chem Lett 10: 1645-8 (2000)


BindingDB Entry DOI: 10.7270/Q2F190XH
More data for this
Ligand-Target Pair
Proto-oncogene c-JUN/protein c-fos


(Homo sapiens (Human))
BDBM50090407
PNG
(4-(3-Methyl-2,5-dioxo-2,5-dihydro-pyrrol-1-ylamino...)
Show SMILES CCOC(=O)c1cnc(nc1NN1C(=O)C=C(C)C1=O)-c1ccsc1 |t:16|
Show InChI InChI=1S/C16H14N4O4S/c1-3-24-16(23)11-7-17-13(10-4-5-25-8-10)18-14(11)19-20-12(21)6-9(2)15(20)22/h4-8H,3H2,1-2H3,(H,17,18,19)
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n/an/a 100n/an/an/an/an/an/a



Signal Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of AP-1 (activator protein-1) mediated transcriptional activation in Jurkat T-cells


Bioorg Med Chem Lett 10: 1645-8 (2000)


BindingDB Entry DOI: 10.7270/Q2F190XH
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50214437
PNG
(6-(3-adamantan-1-yl-ureido)hexanoic acid hydroxyam...)
Show SMILES ONC(=O)CCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |THB:18:17:14:20.19.21,18:19:16.17.22:14,21:19:16:22.13.14,21:13:16:20.18.19,12:13:16:20.18.19|
Show InChI InChI=1S/C17H29N3O3/c21-15(20-23)4-2-1-3-5-18-16(22)19-17-9-12-6-13(10-17)8-14(7-12)11-17/h12-14,23H,1-11H2,(H,20,21)(H2,18,19,22)
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n/an/a 102n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of His-tagged HDAC6 expressed in Sf9 cells by fluorescence-based assay


J Med Chem 50: 3054-61 (2007)


Article DOI: 10.1021/jm070178x
BindingDB Entry DOI: 10.7270/Q26W99SW
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Muscle


(RAT)
BDBM50077117
PNG
(4-[2-(1-Methyl-pyrrolidin-2-yl)-ethylsulfanyl]-phe...)
Show SMILES CN1CCCC1CCSc1ccc(O)cc1
Show InChI InChI=1S/C13H19NOS/c1-14-9-2-3-11(14)8-10-16-13-6-4-12(15)5-7-13/h4-7,11,15H,2-3,8-10H2,1H3
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n/an/a 110n/an/an/an/an/an/a



SIBIA Neurosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards Nicotinic acetylcholine receptor by the displacement of [3H]-nicotine from rat cortical membranes


J Med Chem 42: 1684-6 (1999)


Article DOI: 10.1021/jm990035d
BindingDB Entry DOI: 10.7270/Q2QC02PQ
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50214432
PNG
(CHEMBL387924 | octanedioic acid hydroxyamide [4-(3...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1nc(cs1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C17H20N4O5S/c22-15(8-3-1-2-4-9-16(23)20-24)19-17-18-14(11-27-17)12-6-5-7-13(10-12)21(25)26/h5-7,10-11,24H,1-4,8-9H2,(H,20,23)(H,18,19,22)
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n/an/a 113n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of His-tagged HDAC2 expressed in Sf9 cells by fluorescence-based assay


J Med Chem 50: 3054-61 (2007)


Article DOI: 10.1021/jm070178x
BindingDB Entry DOI: 10.7270/Q26W99SW
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50161469
PNG
(4-(dimethylamino)-N-(5-(2-mercaptoacetamido)pentyl...)
Show SMILES CN(C)c1ccc(cc1)C(=O)NCCCCCNC(=O)CS
Show InChI InChI=1S/C16H25N3O2S/c1-19(2)14-8-6-13(7-9-14)16(21)18-11-5-3-4-10-17-15(20)12-22/h6-9,22H,3-5,10-12H2,1-2H3,(H,17,20)(H,18,21)
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n/an/a 114n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of His-tagged HDAC6 expressed in Sf9 cells by fluorescence-based assay


J Med Chem 50: 3054-61 (2007)


Article DOI: 10.1021/jm070178x
BindingDB Entry DOI: 10.7270/Q26W99SW
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50214431
PNG
(8-[3-(4-dimethylaminobenzyl)ureido]octanoic acid h...)
Show SMILES CN(C)c1ccc(CNC(=O)NCCC(=O)NO)cc1
Show InChI InChI=1S/C13H20N4O3/c1-17(2)11-5-3-10(4-6-11)9-15-13(19)14-8-7-12(18)16-20/h3-6,20H,7-9H2,1-2H3,(H,16,18)(H2,14,15,19)
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n/an/a 130n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of His-tagged HDAC1 expressed in Sf9 cells by fluorescence-based assay


J Med Chem 50: 3054-61 (2007)


Article DOI: 10.1021/jm070178x
BindingDB Entry DOI: 10.7270/Q26W99SW
More data for this
Ligand-Target Pair
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