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Compile Data Set for Download or QSAR

Found 1531 hits with Last Name = 'mish' and Initial = 'm'   
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
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM50294844
PNG
((+)-(4-{2-[(5-Hydroxy-1,2,3,4-tetrahydro-naphthale...)
Show SMILES CCCN(CCN1CCN(CC1)C(=O)c1cc2ccccc2[nH]1)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C28H36N4O2/c1-2-12-31(23-10-11-24-21(19-23)7-5-9-27(24)33)16-13-30-14-17-32(18-15-30)28(34)26-20-22-6-3-4-8-25(22)29-26/h3-9,20,23,29,33H,2,10-19H2,1H3
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 0.550n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat dopamine D3 receptor expressed in HEK293 cells

Bioorg Med Chem 17: 3923-33 (2009)


Article DOI: 10.1016/j.bmc.2009.04.031
BindingDB Entry DOI: 10.7270/Q25H7G8C
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM50294844
PNG
((+)-(4-{2-[(5-Hydroxy-1,2,3,4-tetrahydro-naphthale...)
Show SMILES CCCN(CCN1CCN(CC1)C(=O)c1cc2ccccc2[nH]1)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C28H36N4O2/c1-2-12-31(23-10-11-24-21(19-23)7-5-9-27(24)33)16-13-30-14-17-32(18-15-30)28(34)26-20-22-6-3-4-8-25(22)29-26/h3-9,20,23,29,33H,2,10-19H2,1H3
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 0.570n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat dopamine D3 receptor expressed in HEK293 cells

Bioorg Med Chem 17: 3923-33 (2009)


Article DOI: 10.1016/j.bmc.2009.04.031
BindingDB Entry DOI: 10.7270/Q25H7G8C
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM50294844
PNG
((+)-(4-{2-[(5-Hydroxy-1,2,3,4-tetrahydro-naphthale...)
Show SMILES CCCN(CCN1CCN(CC1)C(=O)c1cc2ccccc2[nH]1)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C28H36N4O2/c1-2-12-31(23-10-11-24-21(19-23)7-5-9-27(24)33)16-13-30-14-17-32(18-15-30)28(34)26-20-22-6-3-4-8-25(22)29-26/h3-9,20,23,29,33H,2,10-19H2,1H3
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 0.570n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat dopamine D3 receptor expressed in HEK293 cells

Bioorg Med Chem 17: 3923-33 (2009)


Article DOI: 10.1016/j.bmc.2009.04.031
BindingDB Entry DOI: 10.7270/Q25H7G8C
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM50273938
PNG
((-)-(S)-6-((2-(4-phenylpiperazin-1-yl)ethyl)(propy...)
Show SMILES CCCN(CCN1CCN(CC1)c1ccccc1)[C@H]1CCc2c(O)cccc2C1 |r|
Show InChI InChI=1S/C25H35N3O/c1-2-13-27(23-11-12-24-21(20-23)7-6-10-25(24)29)17-14-26-15-18-28(19-16-26)22-8-4-3-5-9-22/h3-10,23,29H,2,11-20H2,1H3/t23-/m0/s1
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 0.825n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat dopamine D3 receptor expressed in HEK293 cells

Bioorg Med Chem 17: 3923-33 (2009)


Article DOI: 10.1016/j.bmc.2009.04.031
BindingDB Entry DOI: 10.7270/Q25H7G8C
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM50273996
PNG
((S)-N*6*-[2-(4-Biphenyl-4-yl-piperazin-1-yl)-ethyl...)
Show SMILES CCCN(CCN1CCN(CC1)c1ccc(cc1)-c1ccccc1)[C@H]1CCc2nc(N)sc2C1 |r|
Show InChI InChI=1S/C28H37N5S/c1-2-14-32(25-12-13-26-27(21-25)34-28(29)30-26)18-15-31-16-19-33(20-17-31)24-10-8-23(9-11-24)22-6-4-3-5-7-22/h3-11,25H,2,12-21H2,1H3,(H2,29,30)/t25-/m0/s1
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 0.920n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat dopamine D3 receptor expressed in HEK293 cells

Bioorg Med Chem 17: 3923-33 (2009)


Article DOI: 10.1016/j.bmc.2009.04.031
BindingDB Entry DOI: 10.7270/Q25H7G8C
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM50020221
PNG
((-)-5-hydroxy-2-(dipropylamino)tetralin | (-)-6-(d...)
Show SMILES CCCN(CCC)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-8-9-15-13(12-14)6-5-7-16(15)18/h5-7,14,18H,3-4,8-12H2,1-2H3
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 1.36n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat dopamine D3 receptor expressed in HEK293 cells

Bioorg Med Chem 17: 3923-33 (2009)


Article DOI: 10.1016/j.bmc.2009.04.031
BindingDB Entry DOI: 10.7270/Q25H7G8C
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM50294841
PNG
((4-{2-[(7-hydroxy-1,2,3,4-tetrahydro-naphthalen-2-...)
Show SMILES CCCN(CCN1CCN(CC1)C(=O)c1ccc2[nH]ccc2c1)C1CCc2ccc(O)cc2C1
Show InChI InChI=1S/C28H36N4O2/c1-2-11-31(25-6-3-21-4-7-26(33)20-24(21)19-25)15-12-30-13-16-32(17-14-30)28(34)23-5-8-27-22(18-23)9-10-29-27/h4-5,7-10,18,20,25,29,33H,2-3,6,11-17,19H2,1H3
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 1.67n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat dopamine D3 receptor expressed in HEK293 cells

Bioorg Med Chem 17: 3923-33 (2009)


Article DOI: 10.1016/j.bmc.2009.04.031
BindingDB Entry DOI: 10.7270/Q25H7G8C
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM50294848
PNG
(Benzo[b]thiophen-2-yl-(4-{2-[(5-hydroxy-1,2,3,4-te...)
Show SMILES CCCN(CCN1CCN(CC1)C(=O)c1cc2ccccc2s1)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C28H35N3O2S/c1-2-12-30(23-10-11-24-21(19-23)7-5-8-25(24)32)16-13-29-14-17-31(18-15-29)28(33)27-20-22-6-3-4-9-26(22)34-27/h3-9,20,23,32H,2,10-19H2,1H3
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 1.69n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat dopamine D3 receptor expressed in HEK293 cells

Bioorg Med Chem 17: 3923-33 (2009)


Article DOI: 10.1016/j.bmc.2009.04.031
BindingDB Entry DOI: 10.7270/Q25H7G8C
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM50273937
PNG
((+)-(R)-7-((2-(4-phenylpiperazin-1-yl)ethyl)(propy...)
Show SMILES CCCN(CCN1CCN(CC1)c1ccccc1)[C@@H]1CCc2ccc(O)cc2C1 |r|
Show InChI InChI=1S/C25H35N3O/c1-2-12-27(24-10-8-21-9-11-25(29)20-22(21)19-24)16-13-26-14-17-28(18-15-26)23-6-4-3-5-7-23/h3-7,9,11,20,24,29H,2,8,10,12-19H2,1H3/t24-/m1/s1
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 1.77n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat dopamine D3 receptor expressed in HEK293 cells

Bioorg Med Chem 17: 3923-33 (2009)


Article DOI: 10.1016/j.bmc.2009.04.031
BindingDB Entry DOI: 10.7270/Q25H7G8C
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [75-147]


(Homo sapiens (Human))		BDBM404301
PNG
(US10017501, Compound 1020-289)
Show SMILES Cc1noc(C)c1-c1cc(c2nc([nH]c2c1)C1CC1)C(O)(C1CCCO1)c1ccccc1
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US Patent
 2n/an/an/an/an/an/an/an/a



Gilead Sciences Inc

US Patent


Assay Description
Binding of the two tandem bromodomains, BRD4-1 and BRD4-2, to an acetylated histone H4 peptide was measured using a homogeneous time resolved fluores...

US Patent US10017501 (2018)


BindingDB Entry DOI: 10.7270/Q2CV4M3Z
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM50294842
PNG
(7-((2-(4-(1H-indol-5-yl)piperazin-1-yl)ethyl)(prop...)
Show SMILES CCCN(CCN1CCN(CC1)c1ccc2[nH]ccc2c1)C1CCc2ccc(O)cc2C1
Show InChI InChI=1S/C27H36N4O/c1-2-11-30(24-5-3-21-4-7-26(32)20-23(21)19-24)15-12-29-13-16-31(17-14-29)25-6-8-27-22(18-25)9-10-28-27/h4,6-10,18,20,24,28,32H,2-3,5,11-17,19H2,1H3
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 2n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat dopamine D3 receptor expressed in HEK293 cells

Bioorg Med Chem 17: 3923-33 (2009)


Article DOI: 10.1016/j.bmc.2009.04.031
BindingDB Entry DOI: 10.7270/Q25H7G8C
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [368-440]


(Homo sapiens (Human))		BDBM404301
PNG
(US10017501, Compound 1020-289)
Show SMILES Cc1noc(C)c1-c1cc(c2nc([nH]c2c1)C1CC1)C(O)(C1CCCO1)c1ccccc1
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 2n/an/an/an/an/an/an/an/a



Gilead Sciences Inc

US Patent


Assay Description
Binding of the two tandem bromodomains, BRD4-1 and BRD4-2, to an acetylated histone H4 peptide was measured using a homogeneous time resolved fluores...

US Patent US10017501 (2018)


BindingDB Entry DOI: 10.7270/Q2CV4M3Z
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM50294843
PNG
((S)-(4-{2-[(5-Hydroxy-1,2,3,4-tetrahydro-naphthale...)
Show SMILES CCCN(CCN1CCN(CC1)C(=O)c1ccc2[nH]ccc2c1)[C@H]1CCc2c(O)cccc2C1 |r|
Show InChI InChI=1S/C28H36N4O2/c1-2-12-31(24-7-8-25-21(20-24)4-3-5-27(25)33)16-13-30-14-17-32(18-15-30)28(34)23-6-9-26-22(19-23)10-11-29-26/h3-6,9-11,19,24,29,33H,2,7-8,12-18,20H2,1H3/t24-/m0/s1
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 2.27n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat dopamine D3 receptor expressed in HEK293 cells

Bioorg Med Chem 17: 3923-33 (2009)


Article DOI: 10.1016/j.bmc.2009.04.031
BindingDB Entry DOI: 10.7270/Q25H7G8C
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [368-440]


(Homo sapiens (Human))		BDBM249309
PNG
(US10017501, Compound 1020-114 | US9458145, 1020-11...)
Show SMILES Cc1noc(C)c1-c1cc(c2nc([nH]c2c1)C1CC1)C(O)(C1CCCO1)c1cccc(C)n1
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 2.70n/an/an/an/an/an/an/an/a



Gilead Sciences Inc

US Patent


Assay Description
Binding of the two tandem bromodomains, BRD4-1 and BRD4-2, to an acetylated histone H4 peptide was measured using a homogeneous time resolved fluores...

US Patent US10017501 (2018)


BindingDB Entry DOI: 10.7270/Q2CV4M3Z
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM50294846
PNG
((4-{2-[(5-Hydroxy-1,2,3,4-tetrahydro-naphthalen-2-...)
Show SMILES CCCN(CCN1CCN(CC1)C(=O)c1n[nH]c2ccccc12)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C27H35N5O2/c1-2-12-31(21-10-11-22-20(19-21)6-5-9-25(22)33)16-13-30-14-17-32(18-15-30)27(34)26-23-7-3-4-8-24(23)28-29-26/h3-9,21,33H,2,10-19H2,1H3,(H,28,29)
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 2.83n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat dopamine D3 receptor expressed in HEK293 cells

Bioorg Med Chem 17: 3923-33 (2009)


Article DOI: 10.1016/j.bmc.2009.04.031
BindingDB Entry DOI: 10.7270/Q25H7G8C
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50375478
PNG
(CHEMBL258724)
Show SMILES O[C@H](CN[C@H]1CC[C@H](NC1)C(c1ccccc1)c1ccc(F)cc1)c1ccc(F)cc1 |w:10.18|
Show InChI InChI=1S/C26H28F2N2O/c27-21-10-6-18(7-11-21)25(31)17-29-23-14-15-24(30-16-23)26(19-4-2-1-3-5-19)20-8-12-22(28)13-9-20/h1-13,23-26,29-31H,14-17H2/t23-,24-,25+,26?/m0/s1
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 3.60n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of [3H]NE uptake in NET in rat cerebral cortex

Bioorg Med Chem 16: 2769-78 (2008)


Article DOI: 10.1016/j.bmc.2008.01.009
BindingDB Entry DOI: 10.7270/Q2PR7WWG
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [368-440]


(Homo sapiens (Human))		BDBM249314
PNG
(US10017501, Compound 1020-298 | US9458145, 1020-29...)
Show SMILES Cc1noc(C)c1-c1cc(c2nc([nH]c2c1)C1CC1)C(O)(C1CCC(C)(C)O1)c1cccnn1
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 3.60n/an/an/an/an/an/an/an/a



Gilead Sciences Inc

US Patent


Assay Description
Binding of the two tandem bromodomains, BRD4-1 and BRD4-2, to an acetylated histone H4 peptide was measured using a homogeneous time resolved fluores...

US Patent US10017501 (2018)


BindingDB Entry DOI: 10.7270/Q2CV4M3Z
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM50294845
PNG
((4-{2-[(5-Hydroxy-1,2,3,4-tetrahydro-naphthalen-2-...)
Show SMILES CCCN(CCN1CCN(CC1)C(=O)c1c[nH]c2ccccc12)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C28H36N4O2/c1-2-12-31(22-10-11-23-21(19-22)6-5-9-27(23)33)16-13-30-14-17-32(18-15-30)28(34)25-20-29-26-8-4-3-7-24(25)26/h3-9,20,22,29,33H,2,10-19H2,1H3
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 3.62n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat dopamine D3 receptor expressed in HEK293 cells

Bioorg Med Chem 17: 3923-33 (2009)


Article DOI: 10.1016/j.bmc.2009.04.031
BindingDB Entry DOI: 10.7270/Q25H7G8C
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM50294838
PNG
((4-{2-[(7-Hydroxy-1,2,3,4-tetrahydro-naphthalen-2-...)
Show SMILES CCCN(CCN1CCN(CC1)C(=O)c1cc2ccccc2[nH]1)C1CCc2ccc(O)cc2C1
Show InChI InChI=1S/C28H36N4O2/c1-2-11-31(24-9-7-21-8-10-25(33)19-23(21)18-24)15-12-30-13-16-32(17-14-30)28(34)27-20-22-5-3-4-6-26(22)29-27/h3-6,8,10,19-20,24,29,33H,2,7,9,11-18H2,1H3
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 3.72n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat dopamine D3 receptor expressed in HEK293 cells

Bioorg Med Chem 17: 3923-33 (2009)


Article DOI: 10.1016/j.bmc.2009.04.031
BindingDB Entry DOI: 10.7270/Q25H7G8C
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [75-147]


(Homo sapiens (Human))		BDBM249309
PNG
(US10017501, Compound 1020-114 | US9458145, 1020-11...)
Show SMILES Cc1noc(C)c1-c1cc(c2nc([nH]c2c1)C1CC1)C(O)(C1CCCO1)c1cccc(C)n1
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 3.80n/an/an/an/an/an/an/an/a



Gilead Sciences Inc

US Patent


Assay Description
Binding of the two tandem bromodomains, BRD4-1 and BRD4-2, to an acetylated histone H4 peptide was measured using a homogeneous time resolved fluores...

US Patent US10017501 (2018)


BindingDB Entry DOI: 10.7270/Q2CV4M3Z
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM249277
PNG
(US10017501, Compound 1020-18 | US9458145, 1020-18)
Show SMILES Cc1noc(C)c1-c1cc(-c2c(C)ccc3ncccc23)c2[nH]c(nc2c1)C1CC1 |(1.89,3.57,;.56,4.34,;.08,5.8,;-1.46,5.8,;-1.94,4.34,;-3.27,3.57,;-.69,3.44,;-.69,1.9,;.64,1.13,;.64,-.41,;1.98,-1.18,;3.31,-.41,;3.31,1.13,;4.65,-1.18,;4.65,-2.72,;3.31,-3.49,;3.31,-5.03,;1.98,-5.8,;.64,-5.03,;.64,-3.49,;1.98,-2.72,;-.69,-1.18,;-1.01,-2.69,;-2.54,-2.85,;-3.17,-1.45,;-2.02,-.41,;-2.02,1.13,;-3.31,-4.19,;-4.65,-4.96,;-3.31,-5.73,)|
Show InChI InChI=1S/C25H22N4O/c1-13-6-9-20-18(5-4-10-26-20)22(13)19-11-17(23-14(2)29-30-15(23)3)12-21-24(19)28-25(27-21)16-7-8-16/h4-6,9-12,16H,7-8H2,1-3H3,(H,27,28)
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 3.80n/an/an/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Cy5-linked JQ1 probe binding to recombinant human N-terminal TEV-cleavable hexa-histidine tagged BRD4 bromodomain2 after 60 mins by HTR...

Bioorg Med Chem 27: 457-469 (2019)


Article DOI: 10.1016/j.bmc.2018.11.020
BindingDB Entry DOI: 10.7270/Q2HD7ZZ6
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM50294840
PNG
(7-({2-[4-(1H-Indol-5-ylmethyl)-piperazin-1-yl]-eth...)
Show SMILES CCCN(CCN1CCN(Cc2ccc3[nH]ccc3c2)CC1)C1CCc2ccc(O)cc2C1
Show InChI InChI=1S/C28H38N4O/c1-2-11-32(26-6-4-23-5-7-27(33)20-25(23)19-26)17-16-30-12-14-31(15-13-30)21-22-3-8-28-24(18-22)9-10-29-28/h3,5,7-10,18,20,26,29,33H,2,4,6,11-17,19,21H2,1H3
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 3.87n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat dopamine D3 receptor expressed in HEK293 cells

Bioorg Med Chem 17: 3923-33 (2009)


Article DOI: 10.1016/j.bmc.2009.04.031
BindingDB Entry DOI: 10.7270/Q25H7G8C
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [75-147]


(Homo sapiens (Human))		BDBM249305
PNG
(US10017501, Compound 1020-103 | US9458145, 1020-10...)
Show SMILES Cc1noc(C)c1-c1cc(c2nc([nH]c2c1)C1CC1)C(O)(c1nccs1)c1nccs1
Show InChI InChI=1S/C22H19N5O2S2/c1-11-17(12(2)29-27-11)14-9-15(18-16(10-14)25-19(26-18)13-3-4-13)22(28,20-23-5-7-30-20)21-24-6-8-31-21/h5-10,13,28H,3-4H2,1-2H3,(H,25,26)
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 4n/an/an/an/an/an/an/an/a



Gilead Sciences Inc

US Patent


Assay Description
Binding of the two tandem bromodomains, BRD4-1 and BRD4-2, to an acetylated histone H4 peptide was measured using a homogeneous time resolved fluores...

US Patent US10017501 (2018)


BindingDB Entry DOI: 10.7270/Q2CV4M3Z
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [75-147]


(Homo sapiens (Human))		BDBM249312
PNG
(US10017501, Compound 1020-257 | US9458145, 1020-25...)
Show SMILES Cc1noc(C)c1-c1cc(c2nc([nH]c2c1)C1CC1)C(O)(c1ncccn1)c1ccc(F)cc1F
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 4.70n/an/an/an/an/an/an/an/a



Gilead Sciences Inc

US Patent


Assay Description
Binding of the two tandem bromodomains, BRD4-1 and BRD4-2, to an acetylated histone H4 peptide was measured using a homogeneous time resolved fluores...

US Patent US10017501 (2018)


BindingDB Entry DOI: 10.7270/Q2CV4M3Z
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM50294839
PNG
(7-({2-[4-(1H-Indol-2-ylmethyl)-piperazin-1-yl]-eth...)
Show SMILES CCCN(CCN1CCN(Cc2cc3ccccc3[nH]2)CC1)C1CCc2ccc(O)cc2C1
Show InChI InChI=1S/C28H38N4O/c1-2-11-32(26-9-7-22-8-10-27(33)20-24(22)19-26)17-16-30-12-14-31(15-13-30)21-25-18-23-5-3-4-6-28(23)29-25/h3-6,8,10,18,20,26,29,33H,2,7,9,11-17,19,21H2,1H3
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 4.82n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat dopamine D3 receptor expressed in HEK293 cells

Bioorg Med Chem 17: 3923-33 (2009)


Article DOI: 10.1016/j.bmc.2009.04.031
BindingDB Entry DOI: 10.7270/Q25H7G8C
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM50294849
PNG
((4-{2-[(5-Hydroxy-1,2,3,4-tetrahydro-naphthalen-2-...)
Show SMILES CCCN(CCN1CCN(CC1)C(=O)c1cnc2ccccc2c1)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C29H36N4O2/c1-2-12-32(25-10-11-26-22(20-25)7-5-9-28(26)34)16-13-31-14-17-33(18-15-31)29(35)24-19-23-6-3-4-8-27(23)30-21-24/h3-9,19,21,25,34H,2,10-18,20H2,1H3
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 5.18n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat dopamine D3 receptor expressed in HEK293 cells

Bioorg Med Chem 17: 3923-33 (2009)


Article DOI: 10.1016/j.bmc.2009.04.031
BindingDB Entry DOI: 10.7270/Q25H7G8C
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM50294847
PNG
(Benzofuran-2-yl-(4-{2-[(5-hydroxy-1,2,3,4-tetrahyd...)
Show SMILES CCCN(CCN1CCN(CC1)C(=O)c1cc2ccccc2o1)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C28H35N3O3/c1-2-12-30(23-10-11-24-21(19-23)7-5-8-25(24)32)16-13-29-14-17-31(18-15-29)28(33)27-20-22-6-3-4-9-26(22)34-27/h3-9,20,23,32H,2,10-19H2,1H3
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 5.23n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat dopamine D3 receptor expressed in HEK293 cells

Bioorg Med Chem 17: 3923-33 (2009)


Article DOI: 10.1016/j.bmc.2009.04.031
BindingDB Entry DOI: 10.7270/Q25H7G8C
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [75-147]


(Homo sapiens (Human))		BDBM249314
PNG
(US10017501, Compound 1020-298 | US9458145, 1020-29...)
Show SMILES Cc1noc(C)c1-c1cc(c2nc([nH]c2c1)C1CC1)C(O)(C1CCC(C)(C)O1)c1cccnn1
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 5.40n/an/an/an/an/an/an/an/a



Gilead Sciences Inc

US Patent


Assay Description
Binding of the two tandem bromodomains, BRD4-1 and BRD4-2, to an acetylated histone H4 peptide was measured using a homogeneous time resolved fluores...

US Patent US10017501 (2018)


BindingDB Entry DOI: 10.7270/Q2CV4M3Z
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [368-440]


(Homo sapiens (Human))		BDBM249312
PNG
(US10017501, Compound 1020-257 | US9458145, 1020-25...)
Show SMILES Cc1noc(C)c1-c1cc(c2nc([nH]c2c1)C1CC1)C(O)(c1ncccn1)c1ccc(F)cc1F
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 5.60n/an/an/an/an/an/an/an/a



Gilead Sciences Inc

US Patent


Assay Description
Binding of the two tandem bromodomains, BRD4-1 and BRD4-2, to an acetylated histone H4 peptide was measured using a homogeneous time resolved fluores...

US Patent US10017501 (2018)


BindingDB Entry DOI: 10.7270/Q2CV4M3Z
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [75-147]


(Homo sapiens (Human))		BDBM249311
PNG
(US10017501, Compound 1020-239 | US9458145, 1020-23...)
Show SMILES Cc1noc(C)c1-c1cc(c2nc([nH]c2c1)C1CC1)C(O)(c1ccccn1)c1ncccn1
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 5.90n/an/an/an/an/an/an/an/a



Gilead Sciences Inc

US Patent


Assay Description
Binding of the two tandem bromodomains, BRD4-1 and BRD4-2, to an acetylated histone H4 peptide was measured using a homogeneous time resolved fluores...

US Patent US10017501 (2018)


BindingDB Entry DOI: 10.7270/Q2CV4M3Z
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [368-440]


(Homo sapiens (Human))		BDBM249311
PNG
(US10017501, Compound 1020-239 | US9458145, 1020-23...)
Show SMILES Cc1noc(C)c1-c1cc(c2nc([nH]c2c1)C1CC1)C(O)(c1ccccn1)c1ncccn1
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 6n/an/an/an/an/an/an/an/a



Gilead Sciences Inc

US Patent


Assay Description
Binding of the two tandem bromodomains, BRD4-1 and BRD4-2, to an acetylated histone H4 peptide was measured using a homogeneous time resolved fluores...

US Patent US10017501 (2018)


BindingDB Entry DOI: 10.7270/Q2CV4M3Z
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM50020222
PNG
((+/-)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthal...)
Show SMILES CCCN(CCC)C1CCc2ccc(O)cc2C1
Show InChI InChI=1S/C16H25NO/c1-3-9-17(10-4-2)15-7-5-13-6-8-16(18)12-14(13)11-15/h6,8,12,15,18H,3-5,7,9-11H2,1-2H3
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 6.19n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat dopamine D3 receptor expressed in HEK293 cells

Bioorg Med Chem 17: 3923-33 (2009)


Article DOI: 10.1016/j.bmc.2009.04.031
BindingDB Entry DOI: 10.7270/Q25H7G8C
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [75-147]


(Homo sapiens (Human))		BDBM249306
PNG
(US10017501, Compound 1020-104 | US9458145, 1020-10...)
Show SMILES Cc1noc(C)c1-c1cc(c2nc([nH]c2c1)C1CC1)C(O)(c1ccccn1)c1ccccn1
Show InChI InChI=1S/C26H23N5O2/c1-15-23(16(2)33-31-15)18-13-19(24-20(14-18)29-25(30-24)17-9-10-17)26(32,21-7-3-5-11-27-21)22-8-4-6-12-28-22/h3-8,11-14,17,32H,9-10H2,1-2H3,(H,29,30)
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 7.20n/an/an/an/an/an/an/an/a



Gilead Sciences Inc

US Patent


Assay Description
Binding of the two tandem bromodomains, BRD4-1 and BRD4-2, to an acetylated histone H4 peptide was measured using a homogeneous time resolved fluores...

US Patent US10017501 (2018)


BindingDB Entry DOI: 10.7270/Q2CV4M3Z
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM249277
PNG
(US10017501, Compound 1020-18 | US9458145, 1020-18)
Show SMILES Cc1noc(C)c1-c1cc(-c2c(C)ccc3ncccc23)c2[nH]c(nc2c1)C1CC1 |(1.89,3.57,;.56,4.34,;.08,5.8,;-1.46,5.8,;-1.94,4.34,;-3.27,3.57,;-.69,3.44,;-.69,1.9,;.64,1.13,;.64,-.41,;1.98,-1.18,;3.31,-.41,;3.31,1.13,;4.65,-1.18,;4.65,-2.72,;3.31,-3.49,;3.31,-5.03,;1.98,-5.8,;.64,-5.03,;.64,-3.49,;1.98,-2.72,;-.69,-1.18,;-1.01,-2.69,;-2.54,-2.85,;-3.17,-1.45,;-2.02,-.41,;-2.02,1.13,;-3.31,-4.19,;-4.65,-4.96,;-3.31,-5.73,)|
Show InChI InChI=1S/C25H22N4O/c1-13-6-9-20-18(5-4-10-26-20)22(13)19-11-17(23-14(2)29-30-15(23)3)12-21-24(19)28-25(27-21)16-7-8-16/h4-6,9-12,16H,7-8H2,1-3H3,(H,27,28)
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 7.5n/an/an/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Cy5-linked JQ1 probe binding to recombinant human N-terminal TEV-cleavable hexa-histidine tagged BRD4 bromodomain1 after 60 mins by HTR...

Bioorg Med Chem 27: 457-469 (2019)


Article DOI: 10.1016/j.bmc.2018.11.020
BindingDB Entry DOI: 10.7270/Q2HD7ZZ6
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50375466
PNG
(CHEMBL260682 | D-211B)
Show SMILES O[C@@H](CCN1CCN2C[C@@H]1CC[C@H]2C(c1ccccc1)c1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C29H33FN2O/c30-25-13-11-22(12-14-25)28(33)17-18-31-19-20-32-21-26(31)15-16-27(32)29(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-14,26-29,33H,15-21H2/t26-,27-,28-/m0/s1
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 8.63n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine uptake in DAT in rat striatum

Bioorg Med Chem 16: 2769-78 (2008)


Article DOI: 10.1016/j.bmc.2008.01.009
BindingDB Entry DOI: 10.7270/Q2PR7WWG
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50375477
PNG
(CHEMBL261737)
Show SMILES N#Cc1ccc(CN[C@H]2CC[C@H](NC2)C(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C26H27N3/c27-17-20-11-13-21(14-12-20)18-28-24-15-16-25(29-19-24)26(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-14,24-26,28-29H,15-16,18-19H2/t24-,25-/m0/s1
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 9.10n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine uptake in DAT in rat striatum

Bioorg Med Chem 16: 2769-78 (2008)


Article DOI: 10.1016/j.bmc.2008.01.009
BindingDB Entry DOI: 10.7270/Q2PR7WWG
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM22165
PNG
(1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3-pheny...)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C28H32F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2
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 10.2n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-from DAT in rat striatum

Bioorg Med Chem 16: 2769-78 (2008)


Article DOI: 10.1016/j.bmc.2008.01.009
BindingDB Entry DOI: 10.7270/Q2PR7WWG
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [75-147]


(Homo sapiens (Human))		BDBM249307
PNG
(US10017501, Compound 1020-112 | US9458145, 1020-11...)
Show SMILES Cc1noc(C)c1-c1cc(c2nc([nH]c2c1)C1CC1)C(O)(c1ccccc1)c1cccnc1
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 10.4n/an/an/an/an/an/an/an/a



Gilead Sciences Inc

US Patent


Assay Description
Binding of the two tandem bromodomains, BRD4-1 and BRD4-2, to an acetylated histone H4 peptide was measured using a homogeneous time resolved fluores...

US Patent US10017501 (2018)


BindingDB Entry DOI: 10.7270/Q2CV4M3Z
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50375465
PNG
(CHEMBL258725 | D-254C)
Show SMILES O[C@@H](CN[C@H]1CC[C@H](NC1)C(c1ccccc1)c1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C27H32N2O/c30-25(18-21-10-4-1-5-11-21)20-28-24-16-17-26(29-19-24)27(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15,24-30H,16-20H2/t24-,25+,26-/m0/s1
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 10.6n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine uptake in DAT in rat striatum

Bioorg Med Chem 16: 2769-78 (2008)


Article DOI: 10.1016/j.bmc.2008.01.009
BindingDB Entry DOI: 10.7270/Q2PR7WWG
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM22165
PNG
(1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3-pheny...)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C28H32F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2
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 10.6n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine uptake in DAT in rat striatum

Bioorg Med Chem 16: 2769-78 (2008)


Article DOI: 10.1016/j.bmc.2008.01.009
BindingDB Entry DOI: 10.7270/Q2PR7WWG
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [75-147]


(Homo sapiens (Human))		BDBM249308
PNG
(US10017501, Compound 1020-113 | US9458145, 1020-11...)
Show SMILES Cc1noc(C)c1-c1cc(c2nc([nH]c2c1)C1CC1)C(O)(c1ccccc1)c1ccccn1
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 10.7n/an/an/an/an/an/an/an/a



Gilead Sciences Inc

US Patent


Assay Description
Binding of the two tandem bromodomains, BRD4-1 and BRD4-2, to an acetylated histone H4 peptide was measured using a homogeneous time resolved fluores...

US Patent US10017501 (2018)


BindingDB Entry DOI: 10.7270/Q2CV4M3Z
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [75-147]


(Homo sapiens (Human))		BDBM249310
PNG
(US10017501, Compound 1020-224 | US9458145, 1020-22...)
Show SMILES Cc1noc(C)c1-c1cc(c2nc([nH]c2c1F)C1CC1)C(O)(c1ccccn1)c1ccccn1 |(-3.94,3.57,;-2.6,4.34,;-2.13,5.8,;-.59,5.8,;-.11,4.34,;1.22,3.57,;-1.36,3.44,;-1.36,1.9,;-.02,1.13,;-.02,-.41,;-1.36,-1.18,;-1.68,-2.69,;-3.21,-2.85,;-3.83,-1.45,;-2.69,-.41,;-2.69,1.13,;-4.02,1.9,;-3.98,-4.19,;-5.31,-4.96,;-3.98,-5.73,;1.31,-1.18,;2.64,-1.95,;1.31,-2.72,;-.02,-3.49,;-.02,-5.03,;1.31,-5.8,;2.64,-5.03,;2.64,-3.49,;2.64,-.41,;3.98,-1.18,;5.31,-.41,;5.31,1.13,;3.98,1.9,;2.64,1.13,)|
Show InChI InChI=1S/C26H22FN5O2/c1-14-21(15(2)34-32-14)17-13-18(23-24(22(17)27)31-25(30-23)16-9-10-16)26(33,19-7-3-5-11-28-19)20-8-4-6-12-29-20/h3-8,11-13,16,33H,9-10H2,1-2H3,(H,30,31)
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US Patent
 10.8n/an/an/an/an/an/an/an/a



Gilead Sciences Inc

US Patent


Assay Description
Binding of the two tandem bromodomains, BRD4-1 and BRD4-2, to an acetylated histone H4 peptide was measured using a homogeneous time resolved fluores...

US Patent US10017501 (2018)


BindingDB Entry DOI: 10.7270/Q2CV4M3Z
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50375477
PNG
(CHEMBL261737)
Show SMILES N#Cc1ccc(CN[C@H]2CC[C@H](NC2)C(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C26H27N3/c27-17-20-11-13-21(14-12-20)18-28-24-15-16-25(29-19-24)26(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-14,24-26,28-29H,15-16,18-19H2/t24-,25-/m0/s1
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 11.3n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-from DAT in rat striatum

Bioorg Med Chem 16: 2769-78 (2008)


Article DOI: 10.1016/j.bmc.2008.01.009
BindingDB Entry DOI: 10.7270/Q2PR7WWG
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [368-440]


(Homo sapiens (Human))		BDBM249306
PNG
(US10017501, Compound 1020-104 | US9458145, 1020-10...)
Show SMILES Cc1noc(C)c1-c1cc(c2nc([nH]c2c1)C1CC1)C(O)(c1ccccn1)c1ccccn1
Show InChI InChI=1S/C26H23N5O2/c1-15-23(16(2)33-31-15)18-13-19(24-20(14-18)29-25(30-24)17-9-10-17)26(32,21-7-3-5-11-27-21)22-8-4-6-12-28-22/h3-8,11-14,17,32H,9-10H2,1-2H3,(H,29,30)
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 11.7n/an/an/an/an/an/an/an/a



Gilead Sciences Inc

US Patent


Assay Description
Binding of the two tandem bromodomains, BRD4-1 and BRD4-2, to an acetylated histone H4 peptide was measured using a homogeneous time resolved fluores...

US Patent US10017501 (2018)


BindingDB Entry DOI: 10.7270/Q2CV4M3Z
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [368-440]


(Homo sapiens (Human))		BDBM249305
PNG
(US10017501, Compound 1020-103 | US9458145, 1020-10...)
Show SMILES Cc1noc(C)c1-c1cc(c2nc([nH]c2c1)C1CC1)C(O)(c1nccs1)c1nccs1
Show InChI InChI=1S/C22H19N5O2S2/c1-11-17(12(2)29-27-11)14-9-15(18-16(10-14)25-19(26-18)13-3-4-13)22(28,20-23-5-7-30-20)21-24-6-8-31-21/h5-10,13,28H,3-4H2,1-2H3,(H,25,26)
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US Patent
 12.4n/an/an/an/an/an/an/an/a



Gilead Sciences Inc

US Patent


Assay Description
Binding of the two tandem bromodomains, BRD4-1 and BRD4-2, to an acetylated histone H4 peptide was measured using a homogeneous time resolved fluores...

US Patent US10017501 (2018)


BindingDB Entry DOI: 10.7270/Q2CV4M3Z
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [368-440]


(Homo sapiens (Human))		BDBM249308
PNG
(US10017501, Compound 1020-113 | US9458145, 1020-11...)
Show SMILES Cc1noc(C)c1-c1cc(c2nc([nH]c2c1)C1CC1)C(O)(c1ccccc1)c1ccccn1
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US Patent
 12.8n/an/an/an/an/an/an/an/a



Gilead Sciences Inc

US Patent


Assay Description
Binding of the two tandem bromodomains, BRD4-1 and BRD4-2, to an acetylated histone H4 peptide was measured using a homogeneous time resolved fluores...

US Patent US10017501 (2018)


BindingDB Entry DOI: 10.7270/Q2CV4M3Z
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [368-440]


(Homo sapiens (Human))		BDBM249307
PNG
(US10017501, Compound 1020-112 | US9458145, 1020-11...)
Show SMILES Cc1noc(C)c1-c1cc(c2nc([nH]c2c1)C1CC1)C(O)(c1ccccc1)c1cccnc1
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US Patent
 13.5n/an/an/an/an/an/an/an/a



Gilead Sciences Inc

US Patent


Assay Description
Binding of the two tandem bromodomains, BRD4-1 and BRD4-2, to an acetylated histone H4 peptide was measured using a homogeneous time resolved fluores...

US Patent US10017501 (2018)


BindingDB Entry DOI: 10.7270/Q2CV4M3Z
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50375466
PNG
(CHEMBL260682 | D-211B)
Show SMILES O[C@@H](CCN1CCN2C[C@@H]1CC[C@H]2C(c1ccccc1)c1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C29H33FN2O/c30-25-13-11-22(12-14-25)28(33)17-18-31-19-20-32-21-26(31)15-16-27(32)29(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-14,26-29,33H,15-21H2/t26-,27-,28-/m0/s1
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 13.5n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-from DAT in rat striatum

Bioorg Med Chem 16: 2769-78 (2008)


Article DOI: 10.1016/j.bmc.2008.01.009
BindingDB Entry DOI: 10.7270/Q2PR7WWG
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM249277
PNG
(US10017501, Compound 1020-18 | US9458145, 1020-18)
Show SMILES Cc1noc(C)c1-c1cc(-c2c(C)ccc3ncccc23)c2[nH]c(nc2c1)C1CC1 |(1.89,3.57,;.56,4.34,;.08,5.8,;-1.46,5.8,;-1.94,4.34,;-3.27,3.57,;-.69,3.44,;-.69,1.9,;.64,1.13,;.64,-.41,;1.98,-1.18,;3.31,-.41,;3.31,1.13,;4.65,-1.18,;4.65,-2.72,;3.31,-3.49,;3.31,-5.03,;1.98,-5.8,;.64,-5.03,;.64,-3.49,;1.98,-2.72,;-.69,-1.18,;-1.01,-2.69,;-2.54,-2.85,;-3.17,-1.45,;-2.02,-.41,;-2.02,1.13,;-3.31,-4.19,;-4.65,-4.96,;-3.31,-5.73,)|
Show InChI InChI=1S/C25H22N4O/c1-13-6-9-20-18(5-4-10-26-20)22(13)19-11-17(23-14(2)29-30-15(23)3)12-21-24(19)28-25(27-21)16-7-8-16/h4-6,9-12,16H,7-8H2,1-3H3,(H,27,28)
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 16n/an/an/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of tetra-acetylated Histone H4 peptide binding to recombinant human N-terminal TEV-cleavable hexa-histidine tagged BRD4 bromodomain1 after...

Bioorg Med Chem 27: 457-469 (2019)


Article DOI: 10.1016/j.bmc.2018.11.020
BindingDB Entry DOI: 10.7270/Q2HD7ZZ6
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50375474
PNG
(CHEMBL410244)
Show SMILES O[C@H](CN1CCN2C[C@@H]1CC[C@H]2C(c1ccccc1)c1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C29H34N2O/c32-27(20-23-10-4-1-5-11-23)22-30-18-19-31-21-26(30)16-17-28(31)29(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,26-29,32H,16-22H2/t26-,27-,28-/m0/s1
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 16.8n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine uptake in DAT in rat striatum

Bioorg Med Chem 16: 2769-78 (2008)


Article DOI: 10.1016/j.bmc.2008.01.009
BindingDB Entry DOI: 10.7270/Q2PR7WWG
More data for this
Ligand-Target Pair
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