Found 1483 hits Enz. Inhib. hit(s) with Target = 'Bromodomain-containing protein 4 [342-460]' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Bromodomain-containing protein 4 [342-460]
(Homo sapiens (Human)) | BDBM543516
(US11279703, TABLE 6.119 | US11279703, TABLE 6.128 ...)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(C)c(Nc3cccc(NS(=O)(=O)C(C)(C)C)c3)n2)cc1 | PDB
UniProtKB/SwissProt
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AffyNet 
| PC cid
PC sid
PDB
UniChem
| US Patent
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
1. Add 20 μl of the diluted compound to each well of the 384-well opti plate2. Tap the plate gently3. Add 10 μl of the enzyme to each well ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2T43X8B |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4 [342-460]
(Homo sapiens (Human)) | BDBM50365262
((+)-JQ1 | (S)-JQ1 (1) | CHEMBL1957266 | JQ1 | US10...)Show SMILES Cc1nnc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |r,c:14| Show InChI InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1 | PDB
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| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
1. Add 20 μl of the diluted compound to each well of the 384-well opti plate2. Tap the plate gently3. Add 10 μl of the enzyme to each well ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2T43X8B |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4 [342-460]
(Homo sapiens (Human)) | BDBM362642
((4S)-2-(5-acetyl-2,5- diazabicyclo[2.2.1]hept-2-yl...)Show SMILES CC(=O)N1CC2CC1CN2c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23 |wD:26.29,(-4.08,6.21,;-2.54,6.21,;-1.77,7.55,;-1.77,4.88,;-.23,4.88,;.54,3.55,;-1,4.17,;-2.54,3.55,;-1.77,2.21,;-.23,2.21,;.54,.88,;2.08,.88,;2.65,-.56,;3.98,-1.33,;3.98,-2.87,;2.65,-3.64,;2.65,-5.18,;1.4,-6.08,;-.06,-5.61,;1.88,-7.55,;3.42,-7.55,;3.89,-6.08,;5.36,-5.61,;1.31,-2.87,;-.02,-3.64,;-1.36,-2.87,;-1.36,-1.33,;-2.69,-.56,;-4.02,-1.33,;-5.36,-.56,;-5.36,.98,;-4.02,1.75,;-2.69,.98,;-.02,-.56,;1.31,-1.33,)| Show InChI InChI=1S/C26H26N6O3/c1-14-23(15(2)35-29-14)19-7-8-21-24-25(19)34-13-22(20-6-4-5-9-27-20)32(24)26(28-21)31-12-17-10-18(31)11-30(17)16(3)33/h4-9,17-18,22H,10-13H2,1-3H3/t17?,18?,22-/m1/s1 | PDB
UniProtKB/SwissProt
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AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | <25 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
| Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib... |
J Med Chem 51: 1904-12 (2008)
BindingDB Entry DOI: 10.7270/Q2D50Q7W |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4 [342-460]
(Homo sapiens (Human)) | BDBM362650
(N-{1-[(4S)-7-(3,5-dimethylisoxazol-4-yl)- 4-pyridi...)Show SMILES CC(=O)NC1(C)CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OCC(c4ccccn4)n1c23 |(-4.85,7.55,;-4.08,6.21,;-4.85,4.88,;-2.54,6.21,;-1.77,4.88,;-3.31,4.88,;-2.54,3.55,;-1.77,2.21,;-.23,2.21,;.54,3.55,;-.23,4.88,;.54,.88,;2.08,.88,;2.65,-.56,;3.98,-1.33,;3.98,-2.87,;2.65,-3.64,;2.65,-5.18,;1.4,-6.08,;-.06,-5.61,;1.88,-7.55,;3.42,-7.55,;3.89,-6.08,;5.36,-5.61,;1.31,-2.87,;-.02,-3.64,;-1.36,-2.87,;-1.36,-1.33,;-2.69,-.56,;-4.02,-1.33,;-5.36,-.56,;-5.36,.98,;-4.02,1.75,;-2.69,.98,;-.02,-.56,;1.31,-1.33,)| Show InChI InChI=1S/C27H30N6O3/c1-16-23(17(2)36-31-16)19-8-9-21-24-25(19)35-15-22(20-7-5-6-12-28-20)33(24)26(29-21)32-13-10-27(4,11-14-32)30-18(3)34/h5-9,12,22H,10-11,13-15H2,1-4H3,(H,30,34) | PDB
UniProtKB/SwissProt
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AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | <25 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
| Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib... |
J Med Chem 51: 1904-12 (2008)
BindingDB Entry DOI: 10.7270/Q2D50Q7W |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4 [342-460]
(Homo sapiens (Human)) | BDBM362651
(N-{1-[(4S)-7-(3,5-dimethylisoxazol-4-yl)- 4-pyridi...)Show SMILES CN(C1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OCC(c4ccccn4)n1c23)C(C)=O |(-1.77,7.55,;-2.54,6.21,;-1.77,4.88,;-2.54,3.55,;-1.77,2.21,;-.23,2.21,;.54,3.55,;-.23,4.88,;.54,.88,;2.08,.88,;2.65,-.56,;3.98,-1.33,;3.98,-2.87,;2.65,-3.64,;2.65,-5.18,;1.4,-6.08,;-.06,-5.61,;1.88,-7.55,;3.42,-7.55,;3.89,-6.08,;5.36,-5.61,;1.31,-2.87,;-.02,-3.64,;-1.36,-2.87,;-1.36,-1.33,;-2.69,-.56,;-4.02,-1.33,;-5.36,-.56,;-5.36,.98,;-4.02,1.75,;-2.69,.98,;-.02,-.56,;1.31,-1.33,;-4.08,6.21,;-4.85,7.55,;-4.85,4.88,)| Show InChI InChI=1S/C27H30N6O3/c1-16-24(17(2)36-30-16)20-8-9-22-25-26(20)35-15-23(21-7-5-6-12-28-21)33(25)27(29-22)32-13-10-19(11-14-32)31(4)18(3)34/h5-9,12,19,23H,10-11,13-15H2,1-4H3 | PDB
UniProtKB/SwissProt
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AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | <25 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
| Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib... |
J Med Chem 51: 1904-12 (2008)
BindingDB Entry DOI: 10.7270/Q2D50Q7W |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4 [342-460]
(Homo sapiens (Human)) | BDBM362652
((4S)-2-[(3S)-4-acetyl-3-methylpiperazin-1- yl]-7-(...)Show SMILES C[C@H]1CN(CCN1C(C)=O)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23 |wD:26.28,1.0,(-4.08,3.55,;-2.54,3.55,;-1.77,2.21,;-.23,2.21,;.54,3.55,;-.23,4.88,;-1.77,4.88,;-2.54,6.21,;-4.08,6.21,;-1.77,7.55,;.54,.88,;2.08,.88,;2.65,-.56,;3.98,-1.33,;3.98,-2.87,;2.65,-3.64,;2.65,-5.18,;1.4,-6.08,;-.06,-5.61,;1.88,-7.55,;3.42,-7.55,;3.89,-6.08,;5.36,-5.61,;1.31,-2.87,;-.02,-3.64,;-1.36,-2.87,;-1.36,-1.33,;-2.69,-.56,;-4.02,-1.33,;-5.36,-.56,;-5.36,.98,;-4.02,1.75,;-2.69,.98,;-.02,-.56,;1.31,-1.33,)| Show InChI InChI=1S/C26H28N6O3/c1-15-13-30(11-12-31(15)18(4)33)26-28-21-9-8-19(23-16(2)29-35-17(23)3)25-24(21)32(26)22(14-34-25)20-7-5-6-10-27-20/h5-10,15,22H,11-14H2,1-4H3/t15-,22+/m0/s1 | PDB
UniProtKB/SwissProt
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AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | <25 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
| Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib... |
J Med Chem 51: 1904-12 (2008)
BindingDB Entry DOI: 10.7270/Q2D50Q7W |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4 [342-460]
(Homo sapiens (Human)) | BDBM362653
((4S)-7-(3,5-dimethylisoxazol-4-yl)-2-[(3S)- 3-meth...)Show SMILES CCC(=O)N1CCN(C[C@@H]1C)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23 |wD:27.29,9.10,(-4.85,7.55,;-4.08,6.21,;-2.54,6.21,;-1.77,7.55,;-1.77,4.88,;-.23,4.88,;.54,3.55,;-.23,2.21,;-1.77,2.21,;-2.54,3.55,;-4.08,3.55,;.54,.88,;2.08,.88,;2.65,-.56,;3.98,-1.33,;3.98,-2.87,;2.65,-3.64,;2.65,-5.18,;1.4,-6.08,;-.06,-5.61,;1.88,-7.55,;3.42,-7.55,;3.89,-6.08,;5.36,-5.61,;1.31,-2.87,;-.02,-3.64,;-1.36,-2.87,;-1.36,-1.33,;-2.69,-.56,;-4.02,-1.33,;-5.36,-.56,;-5.36,.98,;-4.02,1.75,;-2.69,.98,;-.02,-.56,;1.31,-1.33,)| Show InChI InChI=1S/C27H30N6O3/c1-5-23(34)32-13-12-31(14-16(32)2)27-29-21-10-9-19(24-17(3)30-36-18(24)4)26-25(21)33(27)22(15-35-26)20-8-6-7-11-28-20/h6-11,16,22H,5,12-15H2,1-4H3/t16-,22+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | <25 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
| Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib... |
J Med Chem 51: 1904-12 (2008)
BindingDB Entry DOI: 10.7270/Q2D50Q7W |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4 [342-460]
(Homo sapiens (Human)) | BDBM362654
((4S)-7-(3,5-dimethylisoxazol-4-yl)-2-[(3S)- 4-isob...)Show SMILES CC(C)C(=O)N1CCN(C[C@@H]1C)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23 |wD:28.30,10.11,(-4.85,4.88,;-4.08,6.21,;-4.85,7.55,;-2.54,6.21,;-1.77,7.55,;-1.77,4.88,;-.23,4.88,;.54,3.55,;-.23,2.21,;-1.77,2.21,;-2.54,3.55,;-4.08,3.55,;.54,.88,;2.08,.88,;2.65,-.56,;3.98,-1.33,;3.98,-2.87,;2.65,-3.64,;2.65,-5.18,;1.4,-6.08,;-.06,-5.61,;1.88,-7.55,;3.42,-7.55,;3.89,-6.08,;5.36,-5.61,;1.31,-2.87,;-.02,-3.64,;-1.36,-2.87,;-1.36,-1.33,;-2.69,-.56,;-4.02,-1.33,;-5.36,-.56,;-5.36,.98,;-4.02,1.75,;-2.69,.98,;-.02,-.56,;1.31,-1.33,)| Show InChI InChI=1S/C28H32N6O3/c1-16(2)27(35)33-13-12-32(14-17(33)3)28-30-22-10-9-20(24-18(4)31-37-19(24)5)26-25(22)34(28)23(15-36-26)21-8-6-7-11-29-21/h6-11,16-17,23H,12-15H2,1-5H3/t17-,23+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | <25 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
| Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib... |
J Med Chem 51: 1904-12 (2008)
BindingDB Entry DOI: 10.7270/Q2D50Q7W |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4 [342-460]
(Homo sapiens (Human)) | BDBM362655
(N-{1-[(4S)-7-(3,5-dimethylisoxazol-4-yl)- 4-pyridi...)Show SMILES CCCC(=O)NC1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OCC(c4ccccn4)n1c23 |(-6.26,8.21,;-5.49,6.88,;-3.95,6.88,;-3.18,5.55,;-3.95,4.21,;-1.64,5.55,;-.87,4.21,;-1.64,2.88,;-.87,1.54,;.67,1.54,;1.44,2.88,;.67,4.21,;1.44,.21,;2.98,.21,;3.55,-1.22,;4.88,-1.99,;4.88,-3.53,;3.55,-4.3,;3.55,-5.84,;2.3,-6.75,;.83,-6.27,;2.78,-8.21,;4.32,-8.21,;4.79,-6.75,;6.26,-6.27,;2.21,-3.53,;.88,-4.3,;-.46,-3.53,;-.46,-1.99,;-1.79,-1.22,;-3.12,-1.99,;-4.46,-1.22,;-4.46,.32,;-3.12,1.09,;-1.79,.32,;.88,-1.22,;2.21,-1.99,)| Show InChI InChI=1S/C28H32N6O3/c1-4-7-24(35)30-19-11-14-33(15-12-19)28-31-22-10-9-20(25-17(2)32-37-18(25)3)27-26(22)34(28)23(16-36-27)21-8-5-6-13-29-21/h5-6,8-10,13,19,23H,4,7,11-12,14-16H2,1-3H3,(H,30,35) | PDB
UniProtKB/SwissProt
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AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | <25 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
| Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib... |
J Med Chem 51: 1904-12 (2008)
BindingDB Entry DOI: 10.7270/Q2D50Q7W |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4 [342-460]
(Homo sapiens (Human)) | BDBM362656
(N-{1-[(4S)-7-(3,5-dimethylisoxazol-4-yl)- 4-pyridi...)Show SMILES Cc1noc(C)c1-c1ccc2nc(N3CCC(CC3)NC(=O)C(C)(C)C)n3C(COc1c23)c1ccccn1 |(.45,-6.27,;1.91,-6.75,;2.39,-8.21,;3.93,-8.21,;4.41,-6.75,;5.87,-6.27,;3.16,-5.84,;3.16,-4.3,;4.49,-3.53,;4.49,-1.99,;3.16,-1.22,;2.6,.21,;1.06,.21,;.29,1.54,;-1.25,1.54,;-2.02,2.88,;-1.25,4.21,;.29,4.21,;1.06,2.88,;-2.02,5.55,;-3.56,5.55,;-4.33,4.21,;-4.33,6.88,;-5.1,8.21,;-3.56,8.21,;-5.87,6.88,;.49,-1.22,;-.84,-1.99,;-.84,-3.53,;.49,-4.3,;1.83,-3.53,;1.83,-1.99,;-2.17,-1.22,;-3.51,-1.99,;-4.84,-1.22,;-4.84,.32,;-3.51,1.09,;-2.17,.32,)| Show InChI InChI=1S/C29H34N6O3/c1-17-24(18(2)38-33-17)20-9-10-22-25-26(20)37-16-23(21-8-6-7-13-30-21)35(25)28(32-22)34-14-11-19(12-15-34)31-27(36)29(3,4)5/h6-10,13,19,23H,11-12,14-16H2,1-5H3,(H,31,36) | PDB
UniProtKB/SwissProt
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AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | <25 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
| Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib... |
J Med Chem 51: 1904-12 (2008)
BindingDB Entry DOI: 10.7270/Q2D50Q7W |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4 [342-460]
(Homo sapiens (Human)) | BDBM362658
(N-{1-[(4S)-7-(3,5-dimethylisoxazol-4-yl)- 4-pyridi...)Show SMILES Cc1noc(C)c1-c1ccc2nc(N3CCC(CC3)NC(=O)C3CCC3)n3C(COc1c23)c1ccccn1 |(.42,-6.55,;1.89,-7.02,;2.36,-8.49,;3.9,-8.49,;4.38,-7.02,;5.84,-6.55,;3.13,-6.12,;3.13,-4.58,;4.47,-3.81,;4.47,-2.27,;3.13,-1.5,;2.57,-.07,;1.03,-.07,;.26,1.27,;-1.28,1.27,;-2.05,2.6,;-1.28,3.94,;.26,3.94,;1.03,2.6,;-2.05,5.27,;-3.59,5.27,;-4.36,3.94,;-4.36,6.6,;-5.84,7,;-5.45,8.49,;-3.96,8.09,;.47,-1.5,;-.87,-2.27,;-.87,-3.81,;.47,-4.58,;1.8,-3.81,;1.8,-2.27,;-2.2,-1.5,;-3.53,-2.27,;-4.87,-1.5,;-4.87,.04,;-3.53,.81,;-2.2,.04,)| Show InChI InChI=1S/C29H32N6O3/c1-17-25(18(2)38-33-17)21-9-10-23-26-27(21)37-16-24(22-8-3-4-13-30-22)35(26)29(32-23)34-14-11-20(12-15-34)31-28(36)19-6-5-7-19/h3-4,8-10,13,19-20,24H,5-7,11-12,14-16H2,1-2H3,(H,31,36) | PDB
UniProtKB/SwissProt
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AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | <25 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
| Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib... |
J Med Chem 51: 1904-12 (2008)
BindingDB Entry DOI: 10.7270/Q2D50Q7W |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4 [342-460]
(Homo sapiens (Human)) | BDBM362658
(N-{1-[(4S)-7-(3,5-dimethylisoxazol-4-yl)- 4-pyridi...)Show SMILES Cc1noc(C)c1-c1ccc2nc(N3CCC(CC3)NC(=O)C3CCC3)n3C(COc1c23)c1ccccn1 |(.42,-6.55,;1.89,-7.02,;2.36,-8.49,;3.9,-8.49,;4.38,-7.02,;5.84,-6.55,;3.13,-6.12,;3.13,-4.58,;4.47,-3.81,;4.47,-2.27,;3.13,-1.5,;2.57,-.07,;1.03,-.07,;.26,1.27,;-1.28,1.27,;-2.05,2.6,;-1.28,3.94,;.26,3.94,;1.03,2.6,;-2.05,5.27,;-3.59,5.27,;-4.36,3.94,;-4.36,6.6,;-5.84,7,;-5.45,8.49,;-3.96,8.09,;.47,-1.5,;-.87,-2.27,;-.87,-3.81,;.47,-4.58,;1.8,-3.81,;1.8,-2.27,;-2.2,-1.5,;-3.53,-2.27,;-4.87,-1.5,;-4.87,.04,;-3.53,.81,;-2.2,.04,)| Show InChI InChI=1S/C29H32N6O3/c1-17-25(18(2)38-33-17)21-9-10-23-26-27(21)37-16-24(22-8-3-4-13-30-22)35(26)29(32-23)34-14-11-20(12-15-34)31-28(36)19-6-5-7-19/h3-4,8-10,13,19-20,24H,5-7,11-12,14-16H2,1-2H3,(H,31,36) | PDB
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| PC cid
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Abbott Laboratories
| Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib... |
J Med Chem 51: 1904-12 (2008)
BindingDB Entry DOI: 10.7270/Q2D50Q7W |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4 [342-460]
(Homo sapiens (Human)) | BDBM362659
(N-{1-[(4S)-7-(3,5-dimethylisoxazol-4-yl)- 4-pyridi...)Show SMILES CCS(=O)(=O)NC1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OCC(c4ccccn4)n1c23 |(-5.87,7.44,;-5.1,6.11,;-3.56,6.11,;-3.56,7.65,;-3.56,4.57,;-2.02,6.11,;-1.25,4.78,;-2.02,3.44,;-1.25,2.11,;.29,2.11,;1.06,3.44,;.29,4.78,;1.06,.77,;2.6,.77,;3.16,-.66,;4.49,-1.43,;4.49,-2.97,;3.16,-3.74,;3.16,-5.28,;1.91,-6.18,;.45,-5.71,;2.39,-7.65,;3.93,-7.65,;4.41,-6.18,;5.87,-5.71,;1.83,-2.97,;.49,-3.74,;-.84,-2.97,;-.84,-1.43,;-2.17,-.66,;-3.51,-1.43,;-4.84,-.66,;-4.84,.88,;-3.51,1.65,;-2.17,.88,;.49,-.66,;1.83,-1.43,)| Show InChI InChI=1S/C26H30N6O4S/c1-4-37(33,34)30-18-10-13-31(14-11-18)26-28-21-9-8-19(23-16(2)29-36-17(23)3)25-24(21)32(26)22(15-35-25)20-7-5-6-12-27-20/h5-9,12,18,22,30H,4,10-11,13-15H2,1-3H3 | PDB
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| PC cid
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Abbott Laboratories
| Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib... |
J Med Chem 51: 1904-12 (2008)
BindingDB Entry DOI: 10.7270/Q2D50Q7W |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4 [342-460]
(Homo sapiens (Human)) | BDBM362660
(N-{1-[(4S)-7-(3,5-dimethylisoxazol-4-yl)- 4-pyridi...)Show SMILES CCC(=O)N(C)C1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OCC(c4ccccn4)n1c23 |(-5.87,7.55,;-4.33,7.55,;-3.56,6.21,;-4.33,4.88,;-2.02,6.21,;-1.25,7.55,;-1.25,4.88,;-2.02,3.55,;-1.25,2.21,;.29,2.21,;1.06,3.55,;.29,4.88,;1.06,.88,;2.6,.88,;3.16,-.56,;4.49,-1.33,;4.49,-2.87,;3.16,-3.64,;3.16,-5.18,;1.91,-6.08,;.45,-5.61,;2.39,-7.55,;3.93,-7.55,;4.41,-6.08,;5.87,-5.61,;1.83,-2.87,;.49,-3.64,;-.84,-2.87,;-.84,-1.33,;-2.17,-.56,;-3.51,-1.33,;-4.84,-.56,;-4.84,.98,;-3.51,1.75,;-2.17,.98,;.49,-.56,;1.83,-1.33,)| Show InChI InChI=1S/C28H32N6O3/c1-5-24(35)32(4)19-11-14-33(15-12-19)28-30-22-10-9-20(25-17(2)31-37-18(25)3)27-26(22)34(28)23(16-36-27)21-8-6-7-13-29-21/h6-10,13,19,23H,5,11-12,14-16H2,1-4H3 | PDB
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| PC cid
PC sid
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Abbott Laboratories
| Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib... |
J Med Chem 51: 1904-12 (2008)
BindingDB Entry DOI: 10.7270/Q2D50Q7W |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4 [342-460]
(Homo sapiens (Human)) | BDBM362661
(N-{1-[(4S)-7-(3,5-dimethylisoxazol-4-yl)- 4-pyridi...)Show SMILES CCCC(=O)N(C)C1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OCC(c4ccccn4)n1c23 |(-6.26,8.21,;-5.49,6.88,;-3.95,6.88,;-3.18,5.55,;-3.95,4.21,;-1.64,5.55,;-.87,6.88,;-.87,4.21,;-1.64,2.88,;-.87,1.54,;.67,1.54,;1.44,2.88,;.67,4.21,;1.44,.21,;2.98,.21,;3.55,-1.22,;4.88,-1.99,;4.88,-3.53,;3.55,-4.3,;3.55,-5.84,;2.3,-6.75,;.83,-6.27,;2.78,-8.21,;4.32,-8.21,;4.79,-6.75,;6.26,-6.27,;2.21,-3.53,;.88,-4.3,;-.46,-3.53,;-.46,-1.99,;-1.79,-1.22,;-3.12,-1.99,;-4.46,-1.22,;-4.46,.32,;-3.12,1.09,;-1.79,.32,;.88,-1.22,;2.21,-1.99,)| Show InChI InChI=1S/C29H34N6O3/c1-5-8-25(36)33(4)20-12-15-34(16-13-20)29-31-23-11-10-21(26-18(2)32-38-19(26)3)28-27(23)35(29)24(17-37-28)22-9-6-7-14-30-22/h6-7,9-11,14,20,24H,5,8,12-13,15-17H2,1-4H3 | PDB
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | <25 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
| Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib... |
J Med Chem 51: 1904-12 (2008)
BindingDB Entry DOI: 10.7270/Q2D50Q7W |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4 [342-460]
(Homo sapiens (Human)) | BDBM362662
(N-{1-[(4S)-7-(3,5-dimethylisoxazol-4-yl)- 4-pyridi...)Show SMILES CC(C)C(=O)N(C)C1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OCC(c4ccccn4)n1c23 |(-3.56,8.21,;-4.33,6.88,;-5.87,6.88,;-3.56,5.55,;-4.33,4.21,;-2.02,5.55,;-1.25,6.88,;-1.25,4.21,;-2.02,2.88,;-1.25,1.54,;.29,1.54,;1.06,2.88,;.29,4.21,;1.06,.21,;2.6,.21,;3.16,-1.22,;4.49,-1.99,;4.49,-3.53,;3.16,-4.3,;3.16,-5.84,;1.91,-6.75,;.45,-6.27,;2.39,-8.21,;3.93,-8.21,;4.41,-6.75,;5.87,-6.27,;1.83,-3.53,;.49,-4.3,;-.84,-3.53,;-.84,-1.99,;-2.17,-1.22,;-3.51,-1.99,;-4.84,-1.22,;-4.84,.32,;-3.51,1.09,;-2.17,.32,;.49,-1.22,;1.83,-1.99,)| Show InChI InChI=1S/C29H34N6O3/c1-17(2)28(36)33(5)20-11-14-34(15-12-20)29-31-23-10-9-21(25-18(3)32-38-19(25)4)27-26(23)35(29)24(16-37-27)22-8-6-7-13-30-22/h6-10,13,17,20,24H,11-12,14-16H2,1-5H3 | PDB
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
| US Patent
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Abbott Laboratories
| Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib... |
J Med Chem 51: 1904-12 (2008)
BindingDB Entry DOI: 10.7270/Q2D50Q7W |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4 [342-460]
(Homo sapiens (Human)) | BDBM362663
(N-{1-[(4S)-7-(3,5-dimethylisoxazol-4-yl)- 4-pyridi...)Show SMILES CN(C1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OCC(c4ccccn4)n1c23)C(=O)C(C)(C)C |(-1.25,6.88,;-2.02,5.55,;-1.25,4.21,;-2.02,2.88,;-1.25,1.54,;.29,1.54,;1.06,2.88,;.29,4.21,;1.06,.21,;2.6,.21,;3.16,-1.22,;4.49,-1.99,;4.49,-3.53,;3.16,-4.3,;3.16,-5.84,;1.91,-6.75,;.45,-6.27,;2.39,-8.21,;3.93,-8.21,;4.41,-6.75,;5.87,-6.27,;1.83,-3.53,;.49,-4.3,;-.84,-3.53,;-.84,-1.99,;-2.17,-1.22,;-3.51,-1.99,;-4.84,-1.22,;-4.84,.32,;-3.51,1.09,;-2.17,.32,;.49,-1.22,;1.83,-1.99,;-3.56,5.55,;-4.33,4.21,;-4.33,6.88,;-5.1,8.21,;-3.56,8.21,;-5.87,6.88,)| Show InChI InChI=1S/C30H36N6O3/c1-18-25(19(2)39-33-18)21-10-11-23-26-27(21)38-17-24(22-9-7-8-14-31-22)36(26)29(32-23)35-15-12-20(13-16-35)34(6)28(37)30(3,4)5/h7-11,14,20,24H,12-13,15-17H2,1-6H3 | PDB
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | <25 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
| Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib... |
J Med Chem 51: 1904-12 (2008)
BindingDB Entry DOI: 10.7270/Q2D50Q7W |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4 [342-460]
(Homo sapiens (Human)) | BDBM362664
(N-{1-[(4S)-7-(3,5-dimethylisoxazol-4-yl)- 4-pyridi...)Show SMILES CN(C1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OCC(c4ccccn4)n1c23)C(=O)C1CC1 |(-1.35,6.78,;-2.12,5.44,;-1.35,4.11,;-2.12,2.78,;-1.35,1.44,;.19,1.44,;.96,2.78,;.19,4.11,;.96,.11,;2.5,.11,;3.06,-1.33,;4.39,-2.1,;4.39,-3.64,;3.06,-4.41,;3.06,-5.95,;1.81,-6.85,;.35,-6.38,;2.29,-8.32,;3.83,-8.32,;4.3,-6.85,;5.77,-6.38,;1.72,-3.64,;.39,-4.41,;-.94,-3.64,;-.94,-2.1,;-2.28,-1.33,;-3.61,-2.1,;-4.94,-1.33,;-4.94,.21,;-3.61,.98,;-2.28,.21,;.39,-1.33,;1.72,-2.1,;-3.66,5.44,;-4.43,4.11,;-4.43,6.78,;-5.77,7.55,;-4.43,8.32,)| Show InChI InChI=1S/C29H32N6O3/c1-17-25(18(2)38-32-17)21-9-10-23-26-27(21)37-16-24(22-6-4-5-13-30-22)35(26)29(31-23)34-14-11-20(12-15-34)33(3)28(36)19-7-8-19/h4-6,9-10,13,19-20,24H,7-8,11-12,14-16H2,1-3H3 | PDB
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| PC cid
PC sid
UniChem
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| n/a | n/a | <25 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
| Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib... |
J Med Chem 51: 1904-12 (2008)
BindingDB Entry DOI: 10.7270/Q2D50Q7W |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4 [342-460]
(Homo sapiens (Human)) | BDBM362665
(N-{1-[(4S)-7-(3,5-dimethylisoxazol-4-yl)- 4-pyridi...)Show SMILES CN(C1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OCC(c4ccccn4)n1c23)C(=O)C1CCC1 |(-1.28,6.6,;-2.05,5.27,;-1.28,3.94,;-2.05,2.6,;-1.28,1.27,;.26,1.27,;1.03,2.6,;.26,3.94,;1.03,-.07,;2.57,-.07,;3.13,-1.5,;4.47,-2.27,;4.47,-3.81,;3.13,-4.58,;3.13,-6.12,;1.89,-7.02,;.42,-6.55,;2.36,-8.49,;3.9,-8.49,;4.38,-7.02,;5.84,-6.55,;1.8,-3.81,;.47,-4.58,;-.87,-3.81,;-.87,-2.27,;-2.2,-1.5,;-3.53,-2.27,;-4.87,-1.5,;-4.87,.04,;-3.53,.81,;-2.2,.04,;.47,-1.5,;1.8,-2.27,;-3.59,5.27,;-4.36,3.94,;-4.36,6.6,;-5.84,7,;-5.45,8.49,;-3.96,8.09,)| Show InChI InChI=1S/C30H34N6O3/c1-18-26(19(2)39-33-18)22-10-11-24-27-28(22)38-17-25(23-9-4-5-14-31-23)36(27)30(32-24)35-15-12-21(13-16-35)34(3)29(37)20-7-6-8-20/h4-5,9-11,14,20-21,25H,6-8,12-13,15-17H2,1-3H3 | PDB
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| PC cid
PC sid
UniChem
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Abbott Laboratories
| Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib... |
J Med Chem 51: 1904-12 (2008)
BindingDB Entry DOI: 10.7270/Q2D50Q7W |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4 [342-460]
(Homo sapiens (Human)) | BDBM362666
(N-{1-[(4S)-7-(3,5-dimethylisoxazol-4-yl)- 4-pyridi...)Show SMILES CN(C)C(=O)N(C)C1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OCC(c4ccccn4)n1c23 |(-3.56,8.21,;-4.33,6.88,;-5.87,6.88,;-3.56,5.55,;-4.33,4.21,;-2.02,5.55,;-1.25,6.88,;-1.25,4.21,;-2.02,2.88,;-1.25,1.54,;.29,1.54,;1.06,2.88,;.29,4.21,;1.06,.21,;2.6,.21,;3.16,-1.22,;4.49,-1.99,;4.49,-3.53,;3.16,-4.3,;3.16,-5.84,;1.91,-6.75,;.45,-6.27,;2.39,-8.21,;3.93,-8.21,;4.41,-6.75,;5.87,-6.27,;1.83,-3.53,;.49,-4.3,;-.84,-3.53,;-.84,-1.99,;-2.17,-1.22,;-3.51,-1.99,;-4.84,-1.22,;-4.84,.32,;-3.51,1.09,;-2.17,.32,;.49,-1.22,;1.83,-1.99,)| Show InChI InChI=1S/C28H33N7O3/c1-17-24(18(2)38-31-17)20-9-10-22-25-26(20)37-16-23(21-8-6-7-13-29-21)35(25)27(30-22)34-14-11-19(12-15-34)33(5)28(36)32(3)4/h6-10,13,19,23H,11-12,14-16H2,1-5H3 | PDB
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| PC cid
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Abbott Laboratories
| Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib... |
J Med Chem 51: 1904-12 (2008)
BindingDB Entry DOI: 10.7270/Q2D50Q7W |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4 [342-460]
(Homo sapiens (Human)) | BDBM362667
(N-{1-[(4S)-7-(3,5-dimethylisoxazol-4-yl)- 4-pyridi...)Show SMILES CN(C1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OCC(c4ccccn4)n1c23)S(C)(=O)=O |(-1.64,7.44,;-2.41,6.11,;-1.64,4.78,;-2.41,3.44,;-1.64,2.11,;-.1,2.11,;.67,3.44,;-.1,4.78,;.67,.77,;2.21,.77,;2.78,-.66,;4.11,-1.43,;4.11,-2.97,;2.78,-3.74,;2.78,-5.28,;1.53,-6.18,;.06,-5.71,;2.01,-7.65,;3.55,-7.65,;4.02,-6.18,;5.49,-5.71,;1.44,-2.97,;.11,-3.74,;-1.23,-2.97,;-1.23,-1.43,;-2.56,-.66,;-3.89,-1.43,;-5.23,-.66,;-5.23,.88,;-3.89,1.65,;-2.56,.88,;.11,-.66,;1.44,-1.43,;-3.95,6.11,;-5.49,6.11,;-3.95,7.65,;-3.95,4.57,)| Show InChI InChI=1S/C26H30N6O4S/c1-16-23(17(2)36-29-16)19-8-9-21-24-25(19)35-15-22(20-7-5-6-12-27-20)32(24)26(28-21)31-13-10-18(11-14-31)30(3)37(4,33)34/h5-9,12,18,22H,10-11,13-15H2,1-4H3 | PDB
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| PC cid
PC sid
UniChem
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Abbott Laboratories
| Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib... |
J Med Chem 51: 1904-12 (2008)
BindingDB Entry DOI: 10.7270/Q2D50Q7W |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4 [342-460]
(Homo sapiens (Human)) | BDBM362668
(N-{1-[(4S)-7-(3,5-dimethylisoxazol-4-yl)- 4-pyridi...)Show SMILES CCS(=O)(=O)N(C)C1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OCC(c4ccccn4)n1c23 |(-5.87,7.44,;-5.1,6.11,;-3.56,6.11,;-3.56,7.65,;-3.56,4.57,;-2.02,6.11,;-1.25,7.44,;-1.25,4.78,;-2.02,3.44,;-1.25,2.11,;.29,2.11,;1.06,3.44,;.29,4.78,;1.06,.77,;2.6,.77,;3.16,-.66,;4.49,-1.43,;4.49,-2.97,;3.16,-3.74,;3.16,-5.28,;1.91,-6.18,;.45,-5.71,;2.39,-7.65,;3.93,-7.65,;4.41,-6.18,;5.87,-5.71,;1.83,-2.97,;.49,-3.74,;-.84,-2.97,;-.84,-1.43,;-2.17,-.66,;-3.51,-1.43,;-4.84,-.66,;-4.84,.88,;-3.51,1.65,;-2.17,.88,;.49,-.66,;1.83,-1.43,)| Show InChI InChI=1S/C27H32N6O4S/c1-5-38(34,35)31(4)19-11-14-32(15-12-19)27-29-22-10-9-20(24-17(2)30-37-18(24)3)26-25(22)33(27)23(16-36-26)21-8-6-7-13-28-21/h6-10,13,19,23H,5,11-12,14-16H2,1-4H3 | PDB
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Abbott Laboratories
| Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib... |
J Med Chem 51: 1904-12 (2008)
BindingDB Entry DOI: 10.7270/Q2D50Q7W |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4 [342-460]
(Homo sapiens (Human)) | BDBM362669
(N-{1-[(4S)-7-(3,5-dimethylisoxazol-4-yl)- 4-pyridi...)Show SMILES CN(C1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OCC(c4ccccn4)n1c23)S(=O)(=O)C1CC1 |(-.97,7.44,;-1.74,6.11,;-.97,4.78,;-1.74,3.44,;-.97,2.11,;.57,2.11,;1.34,3.44,;.57,4.78,;1.34,.77,;2.88,.77,;3.44,-.66,;4.78,-1.43,;4.78,-2.97,;3.44,-3.74,;3.44,-5.28,;2.2,-6.18,;.73,-5.71,;2.67,-7.65,;4.21,-7.65,;4.69,-6.18,;6.15,-5.71,;2.11,-2.97,;.77,-3.74,;-.56,-2.97,;-.56,-1.43,;-1.89,-.66,;-3.23,-1.43,;-4.56,-.66,;-4.56,.88,;-3.23,1.65,;-1.89,.88,;.77,-.66,;2.11,-1.43,;-3.28,6.11,;-3.28,7.65,;-3.28,4.57,;-4.82,6.11,;-6.15,5.34,;-6.15,6.88,)| Show InChI InChI=1S/C28H32N6O4S/c1-17-25(18(2)38-31-17)21-9-10-23-26-27(21)37-16-24(22-6-4-5-13-29-22)34(26)28(30-23)33-14-11-19(12-15-33)32(3)39(35,36)20-7-8-20/h4-6,9-10,13,19-20,24H,7-8,11-12,14-16H2,1-3H3 | PDB
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Abbott Laboratories
| Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib... |
J Med Chem 51: 1904-12 (2008)
BindingDB Entry DOI: 10.7270/Q2D50Q7W |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4 [342-460]
(Homo sapiens (Human)) | BDBM362670
((4S)-2-(4-butyrylpiperazin-1-yl)-7-(3,5- dimethyli...)Show SMILES CCCC(=O)N1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23 |wD:27.29,(-5.87,7.55,;-4.33,7.55,;-3.56,6.21,;-2.02,6.21,;-1.25,7.55,;-1.25,4.88,;-2.02,3.55,;-1.25,2.21,;.29,2.21,;1.06,3.55,;.29,4.88,;1.06,.88,;2.6,.88,;3.16,-.56,;4.5,-1.33,;4.5,-2.87,;3.16,-3.64,;3.16,-5.18,;1.92,-6.08,;.45,-5.61,;2.39,-7.55,;3.93,-7.55,;4.41,-6.08,;5.87,-5.61,;1.83,-2.87,;.5,-3.64,;-.84,-2.87,;-.84,-1.33,;-2.17,-.56,;-3.51,-1.33,;-4.84,-.56,;-4.84,.98,;-3.51,1.75,;-2.17,.98,;.5,-.56,;1.83,-1.33,)| Show InChI InChI=1S/C27H30N6O3/c1-4-7-23(34)31-12-14-32(15-13-31)27-29-21-10-9-19(24-17(2)30-36-18(24)3)26-25(21)33(27)22(16-35-26)20-8-5-6-11-28-20/h5-6,8-11,22H,4,7,12-16H2,1-3H3/t22-/m1/s1 | PDB
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Abbott Laboratories
| Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib... |
J Med Chem 51: 1904-12 (2008)
BindingDB Entry DOI: 10.7270/Q2D50Q7W |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4 [342-460]
(Homo sapiens (Human)) | BDBM362671
((4S)-7-(3,5-dimethylisoxazol-4-yl)-2-[4- (2,2-dime...)Show SMILES Cc1noc(C)c1-c1ccc2nc(N3CCN(CC3)C(=O)C(C)(C)C)n3[C@H](COc1c23)c1ccccn1 |wD:26.35,(.07,-5.61,;1.53,-6.08,;2.01,-7.55,;3.55,-7.55,;4.02,-6.08,;5.49,-5.61,;2.78,-5.18,;2.78,-3.64,;4.11,-2.87,;4.11,-1.33,;2.78,-.56,;2.21,.88,;.67,.88,;-.1,2.21,;-1.64,2.21,;-2.41,3.55,;-1.64,4.88,;-.1,4.88,;.67,3.55,;-2.41,6.21,;-1.64,7.55,;-3.95,6.21,;-4.72,4.88,;-5.49,6.21,;-4.72,7.55,;.11,-.56,;-1.22,-1.33,;-1.22,-2.87,;.11,-3.64,;1.44,-2.87,;1.44,-1.33,;-2.56,-.56,;-3.89,-1.33,;-5.22,-.56,;-5.22,.98,;-3.89,1.75,;-2.56,.98,)| Show InChI InChI=1S/C28H32N6O3/c1-17-23(18(2)37-31-17)19-9-10-21-24-25(19)36-16-22(20-8-6-7-11-29-20)34(24)27(30-21)33-14-12-32(13-15-33)26(35)28(3,4)5/h6-11,22H,12-16H2,1-5H3/t22-/m1/s1 | PDB
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| PC cid
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Abbott Laboratories
| Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib... |
J Med Chem 51: 1904-12 (2008)
BindingDB Entry DOI: 10.7270/Q2D50Q7W |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4 [342-460]
(Homo sapiens (Human)) | BDBM362672
((4S)-2-[4-(cyclopropylcarbonyl)piperazin- 1-yl]-7-...)Show SMILES Cc1noc(C)c1-c1ccc2nc(N3CCN(CC3)C(=O)C3CC3)n3[C@H](COc1c23)c1ccccn1 |wD:25.35,(-.04,-5.61,;1.43,-6.08,;1.9,-7.55,;3.44,-7.55,;3.92,-6.08,;5.39,-5.61,;2.67,-5.18,;2.67,-3.64,;4.01,-2.87,;4.01,-1.33,;2.67,-.56,;2.11,.88,;.57,.88,;-.2,2.21,;-1.74,2.21,;-2.51,3.55,;-1.74,4.88,;-.2,4.88,;.57,3.55,;-2.51,6.21,;-1.74,7.55,;-4.05,6.21,;-5.39,5.44,;-5.39,6.98,;.01,-.56,;-1.33,-1.33,;-1.33,-2.87,;.01,-3.64,;1.34,-2.87,;1.34,-1.33,;-2.66,-.56,;-3.99,-1.33,;-5.33,-.56,;-5.33,.98,;-3.99,1.75,;-2.66,.98,)| Show InChI InChI=1S/C27H28N6O3/c1-16-23(17(2)36-30-16)19-8-9-21-24-25(19)35-15-22(20-5-3-4-10-28-20)33(24)27(29-21)32-13-11-31(12-14-32)26(34)18-6-7-18/h3-5,8-10,18,22H,6-7,11-15H2,1-2H3/t22-/m1/s1 | PDB
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Abbott Laboratories
| Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib... |
J Med Chem 51: 1904-12 (2008)
BindingDB Entry DOI: 10.7270/Q2D50Q7W |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4 [342-460]
(Homo sapiens (Human)) | BDBM362673
((4S)-2-[4-(cyclobutylcarbonyl)piperazin-1- yl]-7-(...)Show SMILES Cc1noc(C)c1-c1ccc2nc(N3CCN(CC3)C(=O)C3CCC3)n3[C@H](COc1c23)c1ccccn1 |wD:26.36,(.39,-5.61,;1.85,-6.08,;2.33,-7.55,;3.87,-7.55,;4.34,-6.08,;5.81,-5.61,;3.1,-5.18,;3.1,-3.64,;4.43,-2.87,;4.43,-1.33,;3.1,-.56,;2.53,.88,;.99,.88,;.22,2.21,;-1.32,2.21,;-2.09,3.55,;-1.32,4.88,;.22,4.88,;.99,3.55,;-2.09,6.21,;-1.32,7.55,;-3.63,6.21,;-4.72,5.12,;-5.81,6.21,;-4.72,7.3,;.43,-.56,;-.9,-1.33,;-.9,-2.87,;.43,-3.64,;1.76,-2.87,;1.76,-1.33,;-2.24,-.56,;-3.57,-1.33,;-4.91,-.56,;-4.91,.98,;-3.57,1.75,;-2.24,.98,)| Show InChI InChI=1S/C28H30N6O3/c1-17-24(18(2)37-31-17)20-9-10-22-25-26(20)36-16-23(21-8-3-4-11-29-21)34(25)28(30-22)33-14-12-32(13-15-33)27(35)19-6-5-7-19/h3-4,8-11,19,23H,5-7,12-16H2,1-2H3/t23-/m1/s1 | PDB
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| PC cid
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Abbott Laboratories
| Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib... |
J Med Chem 51: 1904-12 (2008)
BindingDB Entry DOI: 10.7270/Q2D50Q7W |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4 [342-460]
(Homo sapiens (Human)) | BDBM362674
((4S)-7-(3,5-dimethylisoxazol-4-yl)-2-[4- (methoxya...)Show SMILES COCC(=O)N1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23 |wD:27.29,(-5.87,7.55,;-4.33,7.55,;-3.56,6.21,;-2.02,6.21,;-1.25,7.55,;-1.25,4.88,;-2.02,3.55,;-1.25,2.21,;.29,2.21,;1.06,3.55,;.29,4.88,;1.06,.88,;2.6,.88,;3.16,-.56,;4.5,-1.33,;4.5,-2.87,;3.16,-3.64,;3.16,-5.18,;1.92,-6.08,;.45,-5.61,;2.39,-7.55,;3.93,-7.55,;4.41,-6.08,;5.87,-5.61,;1.83,-2.87,;.5,-3.64,;-.84,-2.87,;-.84,-1.33,;-2.17,-.56,;-3.51,-1.33,;-4.84,-.56,;-4.84,.98,;-3.51,1.75,;-2.17,.98,;.5,-.56,;1.83,-1.33,)| Show InChI InChI=1S/C26H28N6O4/c1-16-23(17(2)36-29-16)18-7-8-20-24-25(18)35-14-21(19-6-4-5-9-27-19)32(24)26(28-20)31-12-10-30(11-13-31)22(33)15-34-3/h4-9,21H,10-15H2,1-3H3/t21-/m1/s1 | PDB
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| PC cid
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Abbott Laboratories
| Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib... |
J Med Chem 51: 1904-12 (2008)
BindingDB Entry DOI: 10.7270/Q2D50Q7W |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4 [342-460]
(Homo sapiens (Human)) | BDBM362659
(N-{1-[(4S)-7-(3,5-dimethylisoxazol-4-yl)- 4-pyridi...)Show SMILES CCS(=O)(=O)NC1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OCC(c4ccccn4)n1c23 |(-5.87,7.44,;-5.1,6.11,;-3.56,6.11,;-3.56,7.65,;-3.56,4.57,;-2.02,6.11,;-1.25,4.78,;-2.02,3.44,;-1.25,2.11,;.29,2.11,;1.06,3.44,;.29,4.78,;1.06,.77,;2.6,.77,;3.16,-.66,;4.49,-1.43,;4.49,-2.97,;3.16,-3.74,;3.16,-5.28,;1.91,-6.18,;.45,-5.71,;2.39,-7.65,;3.93,-7.65,;4.41,-6.18,;5.87,-5.71,;1.83,-2.97,;.49,-3.74,;-.84,-2.97,;-.84,-1.43,;-2.17,-.66,;-3.51,-1.43,;-4.84,-.66,;-4.84,.88,;-3.51,1.65,;-2.17,.88,;.49,-.66,;1.83,-1.43,)| Show InChI InChI=1S/C26H30N6O4S/c1-4-37(33,34)30-18-10-13-31(14-11-18)26-28-21-9-8-19(23-16(2)29-36-17(23)3)25-24(21)32(26)22(15-35-25)20-7-5-6-12-27-20/h5-9,12,18,22,30H,4,10-11,13-15H2,1-3H3 | PDB
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Incyte Corporation
US Patent
| Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib... |
US Patent US9834565 (2017)
BindingDB Entry DOI: 10.7270/Q29P33XS |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4 [342-460]
(Homo sapiens (Human)) | BDBM362660
(N-{1-[(4S)-7-(3,5-dimethylisoxazol-4-yl)- 4-pyridi...)Show SMILES CCC(=O)N(C)C1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OCC(c4ccccn4)n1c23 |(-5.87,7.55,;-4.33,7.55,;-3.56,6.21,;-4.33,4.88,;-2.02,6.21,;-1.25,7.55,;-1.25,4.88,;-2.02,3.55,;-1.25,2.21,;.29,2.21,;1.06,3.55,;.29,4.88,;1.06,.88,;2.6,.88,;3.16,-.56,;4.49,-1.33,;4.49,-2.87,;3.16,-3.64,;3.16,-5.18,;1.91,-6.08,;.45,-5.61,;2.39,-7.55,;3.93,-7.55,;4.41,-6.08,;5.87,-5.61,;1.83,-2.87,;.49,-3.64,;-.84,-2.87,;-.84,-1.33,;-2.17,-.56,;-3.51,-1.33,;-4.84,-.56,;-4.84,.98,;-3.51,1.75,;-2.17,.98,;.49,-.56,;1.83,-1.33,)| Show InChI InChI=1S/C28H32N6O3/c1-5-24(35)32(4)19-11-14-33(15-12-19)28-30-22-10-9-20(25-17(2)31-37-18(25)3)27-26(22)34(28)23(16-36-27)21-8-6-7-13-29-21/h6-10,13,19,23H,5,11-12,14-16H2,1-4H3 | PDB
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Incyte Corporation
US Patent
| Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib... |
US Patent US9834565 (2017)
BindingDB Entry DOI: 10.7270/Q29P33XS |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4 [342-460]
(Homo sapiens (Human)) | BDBM362661
(N-{1-[(4S)-7-(3,5-dimethylisoxazol-4-yl)- 4-pyridi...)Show SMILES CCCC(=O)N(C)C1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OCC(c4ccccn4)n1c23 |(-6.26,8.21,;-5.49,6.88,;-3.95,6.88,;-3.18,5.55,;-3.95,4.21,;-1.64,5.55,;-.87,6.88,;-.87,4.21,;-1.64,2.88,;-.87,1.54,;.67,1.54,;1.44,2.88,;.67,4.21,;1.44,.21,;2.98,.21,;3.55,-1.22,;4.88,-1.99,;4.88,-3.53,;3.55,-4.3,;3.55,-5.84,;2.3,-6.75,;.83,-6.27,;2.78,-8.21,;4.32,-8.21,;4.79,-6.75,;6.26,-6.27,;2.21,-3.53,;.88,-4.3,;-.46,-3.53,;-.46,-1.99,;-1.79,-1.22,;-3.12,-1.99,;-4.46,-1.22,;-4.46,.32,;-3.12,1.09,;-1.79,.32,;.88,-1.22,;2.21,-1.99,)| Show InChI InChI=1S/C29H34N6O3/c1-5-8-25(36)33(4)20-12-15-34(16-13-20)29-31-23-11-10-21(26-18(2)32-38-19(26)3)28-27(23)35(29)24(17-37-28)22-9-6-7-14-30-22/h6-7,9-11,14,20,24H,5,8,12-13,15-17H2,1-4H3 | PDB
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| PC cid
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UniChem
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Incyte Corporation
US Patent
| Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib... |
US Patent US9834565 (2017)
BindingDB Entry DOI: 10.7270/Q29P33XS |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4 [342-460]
(Homo sapiens (Human)) | BDBM362662
(N-{1-[(4S)-7-(3,5-dimethylisoxazol-4-yl)- 4-pyridi...)Show SMILES CC(C)C(=O)N(C)C1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OCC(c4ccccn4)n1c23 |(-3.56,8.21,;-4.33,6.88,;-5.87,6.88,;-3.56,5.55,;-4.33,4.21,;-2.02,5.55,;-1.25,6.88,;-1.25,4.21,;-2.02,2.88,;-1.25,1.54,;.29,1.54,;1.06,2.88,;.29,4.21,;1.06,.21,;2.6,.21,;3.16,-1.22,;4.49,-1.99,;4.49,-3.53,;3.16,-4.3,;3.16,-5.84,;1.91,-6.75,;.45,-6.27,;2.39,-8.21,;3.93,-8.21,;4.41,-6.75,;5.87,-6.27,;1.83,-3.53,;.49,-4.3,;-.84,-3.53,;-.84,-1.99,;-2.17,-1.22,;-3.51,-1.99,;-4.84,-1.22,;-4.84,.32,;-3.51,1.09,;-2.17,.32,;.49,-1.22,;1.83,-1.99,)| Show InChI InChI=1S/C29H34N6O3/c1-17(2)28(36)33(5)20-11-14-34(15-12-20)29-31-23-10-9-21(25-18(3)32-38-19(25)4)27-26(23)35(29)24(16-37-27)22-8-6-7-13-30-22/h6-10,13,17,20,24H,11-12,14-16H2,1-5H3 | PDB
UniProtKB/SwissProt
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Incyte Corporation
US Patent
| Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib... |
US Patent US9834565 (2017)
BindingDB Entry DOI: 10.7270/Q29P33XS |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4 [342-460]
(Homo sapiens (Human)) | BDBM362663
(N-{1-[(4S)-7-(3,5-dimethylisoxazol-4-yl)- 4-pyridi...)Show SMILES CN(C1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OCC(c4ccccn4)n1c23)C(=O)C(C)(C)C |(-1.25,6.88,;-2.02,5.55,;-1.25,4.21,;-2.02,2.88,;-1.25,1.54,;.29,1.54,;1.06,2.88,;.29,4.21,;1.06,.21,;2.6,.21,;3.16,-1.22,;4.49,-1.99,;4.49,-3.53,;3.16,-4.3,;3.16,-5.84,;1.91,-6.75,;.45,-6.27,;2.39,-8.21,;3.93,-8.21,;4.41,-6.75,;5.87,-6.27,;1.83,-3.53,;.49,-4.3,;-.84,-3.53,;-.84,-1.99,;-2.17,-1.22,;-3.51,-1.99,;-4.84,-1.22,;-4.84,.32,;-3.51,1.09,;-2.17,.32,;.49,-1.22,;1.83,-1.99,;-3.56,5.55,;-4.33,4.21,;-4.33,6.88,;-5.1,8.21,;-3.56,8.21,;-5.87,6.88,)| Show InChI InChI=1S/C30H36N6O3/c1-18-25(19(2)39-33-18)21-10-11-23-26-27(21)38-17-24(22-9-7-8-14-31-22)36(26)29(32-23)35-15-12-20(13-16-35)34(6)28(37)30(3,4)5/h7-11,14,20,24H,12-13,15-17H2,1-6H3 | PDB
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Incyte Corporation
US Patent
| Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib... |
US Patent US9834565 (2017)
BindingDB Entry DOI: 10.7270/Q29P33XS |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4 [342-460]
(Homo sapiens (Human)) | BDBM362664
(N-{1-[(4S)-7-(3,5-dimethylisoxazol-4-yl)- 4-pyridi...)Show SMILES CN(C1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OCC(c4ccccn4)n1c23)C(=O)C1CC1 |(-1.35,6.78,;-2.12,5.44,;-1.35,4.11,;-2.12,2.78,;-1.35,1.44,;.19,1.44,;.96,2.78,;.19,4.11,;.96,.11,;2.5,.11,;3.06,-1.33,;4.39,-2.1,;4.39,-3.64,;3.06,-4.41,;3.06,-5.95,;1.81,-6.85,;.35,-6.38,;2.29,-8.32,;3.83,-8.32,;4.3,-6.85,;5.77,-6.38,;1.72,-3.64,;.39,-4.41,;-.94,-3.64,;-.94,-2.1,;-2.28,-1.33,;-3.61,-2.1,;-4.94,-1.33,;-4.94,.21,;-3.61,.98,;-2.28,.21,;.39,-1.33,;1.72,-2.1,;-3.66,5.44,;-4.43,4.11,;-4.43,6.78,;-5.77,7.55,;-4.43,8.32,)| Show InChI InChI=1S/C29H32N6O3/c1-17-25(18(2)38-32-17)21-9-10-23-26-27(21)37-16-24(22-6-4-5-13-30-22)35(26)29(31-23)34-14-11-20(12-15-34)33(3)28(36)19-7-8-19/h4-6,9-10,13,19-20,24H,7-8,11-12,14-16H2,1-3H3 | PDB
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Incyte Corporation
US Patent
| Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib... |
US Patent US9834565 (2017)
BindingDB Entry DOI: 10.7270/Q29P33XS |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4 [342-460]
(Homo sapiens (Human)) | BDBM362665
(N-{1-[(4S)-7-(3,5-dimethylisoxazol-4-yl)- 4-pyridi...)Show SMILES CN(C1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OCC(c4ccccn4)n1c23)C(=O)C1CCC1 |(-1.28,6.6,;-2.05,5.27,;-1.28,3.94,;-2.05,2.6,;-1.28,1.27,;.26,1.27,;1.03,2.6,;.26,3.94,;1.03,-.07,;2.57,-.07,;3.13,-1.5,;4.47,-2.27,;4.47,-3.81,;3.13,-4.58,;3.13,-6.12,;1.89,-7.02,;.42,-6.55,;2.36,-8.49,;3.9,-8.49,;4.38,-7.02,;5.84,-6.55,;1.8,-3.81,;.47,-4.58,;-.87,-3.81,;-.87,-2.27,;-2.2,-1.5,;-3.53,-2.27,;-4.87,-1.5,;-4.87,.04,;-3.53,.81,;-2.2,.04,;.47,-1.5,;1.8,-2.27,;-3.59,5.27,;-4.36,3.94,;-4.36,6.6,;-5.84,7,;-5.45,8.49,;-3.96,8.09,)| Show InChI InChI=1S/C30H34N6O3/c1-18-26(19(2)39-33-18)22-10-11-24-27-28(22)38-17-25(23-9-4-5-14-31-23)36(27)30(32-24)35-15-12-21(13-16-35)34(3)29(37)20-7-6-8-20/h4-5,9-11,14,20-21,25H,6-8,12-13,15-17H2,1-3H3 | PDB
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Incyte Corporation
US Patent
| Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib... |
US Patent US9834565 (2017)
BindingDB Entry DOI: 10.7270/Q29P33XS |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4 [342-460]
(Homo sapiens (Human)) | BDBM362666
(N-{1-[(4S)-7-(3,5-dimethylisoxazol-4-yl)- 4-pyridi...)Show SMILES CN(C)C(=O)N(C)C1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OCC(c4ccccn4)n1c23 |(-3.56,8.21,;-4.33,6.88,;-5.87,6.88,;-3.56,5.55,;-4.33,4.21,;-2.02,5.55,;-1.25,6.88,;-1.25,4.21,;-2.02,2.88,;-1.25,1.54,;.29,1.54,;1.06,2.88,;.29,4.21,;1.06,.21,;2.6,.21,;3.16,-1.22,;4.49,-1.99,;4.49,-3.53,;3.16,-4.3,;3.16,-5.84,;1.91,-6.75,;.45,-6.27,;2.39,-8.21,;3.93,-8.21,;4.41,-6.75,;5.87,-6.27,;1.83,-3.53,;.49,-4.3,;-.84,-3.53,;-.84,-1.99,;-2.17,-1.22,;-3.51,-1.99,;-4.84,-1.22,;-4.84,.32,;-3.51,1.09,;-2.17,.32,;.49,-1.22,;1.83,-1.99,)| Show InChI InChI=1S/C28H33N7O3/c1-17-24(18(2)38-31-17)20-9-10-22-25-26(20)37-16-23(21-8-6-7-13-29-21)35(25)27(30-22)34-14-11-19(12-15-34)33(5)28(36)32(3)4/h6-10,13,19,23H,11-12,14-16H2,1-5H3 | PDB
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Incyte Corporation
US Patent
| Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib... |
US Patent US9834565 (2017)
BindingDB Entry DOI: 10.7270/Q29P33XS |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4 [342-460]
(Homo sapiens (Human)) | BDBM362667
(N-{1-[(4S)-7-(3,5-dimethylisoxazol-4-yl)- 4-pyridi...)Show SMILES CN(C1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OCC(c4ccccn4)n1c23)S(C)(=O)=O |(-1.64,7.44,;-2.41,6.11,;-1.64,4.78,;-2.41,3.44,;-1.64,2.11,;-.1,2.11,;.67,3.44,;-.1,4.78,;.67,.77,;2.21,.77,;2.78,-.66,;4.11,-1.43,;4.11,-2.97,;2.78,-3.74,;2.78,-5.28,;1.53,-6.18,;.06,-5.71,;2.01,-7.65,;3.55,-7.65,;4.02,-6.18,;5.49,-5.71,;1.44,-2.97,;.11,-3.74,;-1.23,-2.97,;-1.23,-1.43,;-2.56,-.66,;-3.89,-1.43,;-5.23,-.66,;-5.23,.88,;-3.89,1.65,;-2.56,.88,;.11,-.66,;1.44,-1.43,;-3.95,6.11,;-5.49,6.11,;-3.95,7.65,;-3.95,4.57,)| Show InChI InChI=1S/C26H30N6O4S/c1-16-23(17(2)36-29-16)19-8-9-21-24-25(19)35-15-22(20-7-5-6-12-27-20)32(24)26(28-21)31-13-10-18(11-14-31)30(3)37(4,33)34/h5-9,12,18,22H,10-11,13-15H2,1-4H3 | PDB
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| PC cid
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Incyte Corporation
US Patent
| Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib... |
US Patent US9834565 (2017)
BindingDB Entry DOI: 10.7270/Q29P33XS |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4 [342-460]
(Homo sapiens (Human)) | BDBM362668
(N-{1-[(4S)-7-(3,5-dimethylisoxazol-4-yl)- 4-pyridi...)Show SMILES CCS(=O)(=O)N(C)C1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OCC(c4ccccn4)n1c23 |(-5.87,7.44,;-5.1,6.11,;-3.56,6.11,;-3.56,7.65,;-3.56,4.57,;-2.02,6.11,;-1.25,7.44,;-1.25,4.78,;-2.02,3.44,;-1.25,2.11,;.29,2.11,;1.06,3.44,;.29,4.78,;1.06,.77,;2.6,.77,;3.16,-.66,;4.49,-1.43,;4.49,-2.97,;3.16,-3.74,;3.16,-5.28,;1.91,-6.18,;.45,-5.71,;2.39,-7.65,;3.93,-7.65,;4.41,-6.18,;5.87,-5.71,;1.83,-2.97,;.49,-3.74,;-.84,-2.97,;-.84,-1.43,;-2.17,-.66,;-3.51,-1.43,;-4.84,-.66,;-4.84,.88,;-3.51,1.65,;-2.17,.88,;.49,-.66,;1.83,-1.43,)| Show InChI InChI=1S/C27H32N6O4S/c1-5-38(34,35)31(4)19-11-14-32(15-12-19)27-29-22-10-9-20(24-17(2)30-37-18(24)3)26-25(22)33(27)23(16-36-26)21-8-6-7-13-28-21/h6-10,13,19,23H,5,11-12,14-16H2,1-4H3 | PDB
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| PC cid
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Incyte Corporation
US Patent
| Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib... |
US Patent US9834565 (2017)
BindingDB Entry DOI: 10.7270/Q29P33XS |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4 [342-460]
(Homo sapiens (Human)) | BDBM362669
(N-{1-[(4S)-7-(3,5-dimethylisoxazol-4-yl)- 4-pyridi...)Show SMILES CN(C1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OCC(c4ccccn4)n1c23)S(=O)(=O)C1CC1 |(-.97,7.44,;-1.74,6.11,;-.97,4.78,;-1.74,3.44,;-.97,2.11,;.57,2.11,;1.34,3.44,;.57,4.78,;1.34,.77,;2.88,.77,;3.44,-.66,;4.78,-1.43,;4.78,-2.97,;3.44,-3.74,;3.44,-5.28,;2.2,-6.18,;.73,-5.71,;2.67,-7.65,;4.21,-7.65,;4.69,-6.18,;6.15,-5.71,;2.11,-2.97,;.77,-3.74,;-.56,-2.97,;-.56,-1.43,;-1.89,-.66,;-3.23,-1.43,;-4.56,-.66,;-4.56,.88,;-3.23,1.65,;-1.89,.88,;.77,-.66,;2.11,-1.43,;-3.28,6.11,;-3.28,7.65,;-3.28,4.57,;-4.82,6.11,;-6.15,5.34,;-6.15,6.88,)| Show InChI InChI=1S/C28H32N6O4S/c1-17-25(18(2)38-31-17)21-9-10-23-26-27(21)37-16-24(22-6-4-5-13-29-22)34(26)28(30-23)33-14-11-19(12-15-33)32(3)39(35,36)20-7-8-20/h4-6,9-10,13,19-20,24H,7-8,11-12,14-16H2,1-3H3 | PDB
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Incyte Corporation
US Patent
| Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib... |
US Patent US9834565 (2017)
BindingDB Entry DOI: 10.7270/Q29P33XS |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4 [342-460]
(Homo sapiens (Human)) | BDBM362670
((4S)-2-(4-butyrylpiperazin-1-yl)-7-(3,5- dimethyli...)Show SMILES CCCC(=O)N1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23 |wD:27.29,(-5.87,7.55,;-4.33,7.55,;-3.56,6.21,;-2.02,6.21,;-1.25,7.55,;-1.25,4.88,;-2.02,3.55,;-1.25,2.21,;.29,2.21,;1.06,3.55,;.29,4.88,;1.06,.88,;2.6,.88,;3.16,-.56,;4.5,-1.33,;4.5,-2.87,;3.16,-3.64,;3.16,-5.18,;1.92,-6.08,;.45,-5.61,;2.39,-7.55,;3.93,-7.55,;4.41,-6.08,;5.87,-5.61,;1.83,-2.87,;.5,-3.64,;-.84,-2.87,;-.84,-1.33,;-2.17,-.56,;-3.51,-1.33,;-4.84,-.56,;-4.84,.98,;-3.51,1.75,;-2.17,.98,;.5,-.56,;1.83,-1.33,)| Show InChI InChI=1S/C27H30N6O3/c1-4-7-23(34)31-12-14-32(15-13-31)27-29-21-10-9-19(24-17(2)30-36-18(24)3)26-25(21)33(27)22(16-35-26)20-8-5-6-11-28-20/h5-6,8-11,22H,4,7,12-16H2,1-3H3/t22-/m1/s1 | PDB
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Incyte Corporation
US Patent
| Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib... |
US Patent US9834565 (2017)
BindingDB Entry DOI: 10.7270/Q29P33XS |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4 [342-460]
(Homo sapiens (Human)) | BDBM362671
((4S)-7-(3,5-dimethylisoxazol-4-yl)-2-[4- (2,2-dime...)Show SMILES Cc1noc(C)c1-c1ccc2nc(N3CCN(CC3)C(=O)C(C)(C)C)n3[C@H](COc1c23)c1ccccn1 |wD:26.35,(.07,-5.61,;1.53,-6.08,;2.01,-7.55,;3.55,-7.55,;4.02,-6.08,;5.49,-5.61,;2.78,-5.18,;2.78,-3.64,;4.11,-2.87,;4.11,-1.33,;2.78,-.56,;2.21,.88,;.67,.88,;-.1,2.21,;-1.64,2.21,;-2.41,3.55,;-1.64,4.88,;-.1,4.88,;.67,3.55,;-2.41,6.21,;-1.64,7.55,;-3.95,6.21,;-4.72,4.88,;-5.49,6.21,;-4.72,7.55,;.11,-.56,;-1.22,-1.33,;-1.22,-2.87,;.11,-3.64,;1.44,-2.87,;1.44,-1.33,;-2.56,-.56,;-3.89,-1.33,;-5.22,-.56,;-5.22,.98,;-3.89,1.75,;-2.56,.98,)| Show InChI InChI=1S/C28H32N6O3/c1-17-23(18(2)37-31-17)19-9-10-21-24-25(19)36-16-22(20-8-6-7-11-29-20)34(24)27(30-21)33-14-12-32(13-15-33)26(35)28(3,4)5/h6-11,22H,12-16H2,1-5H3/t22-/m1/s1 | PDB
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Incyte Corporation
US Patent
| Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib... |
US Patent US9834565 (2017)
BindingDB Entry DOI: 10.7270/Q29P33XS |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4 [342-460]
(Homo sapiens (Human)) | BDBM362672
((4S)-2-[4-(cyclopropylcarbonyl)piperazin- 1-yl]-7-...)Show SMILES Cc1noc(C)c1-c1ccc2nc(N3CCN(CC3)C(=O)C3CC3)n3[C@H](COc1c23)c1ccccn1 |wD:25.35,(-.04,-5.61,;1.43,-6.08,;1.9,-7.55,;3.44,-7.55,;3.92,-6.08,;5.39,-5.61,;2.67,-5.18,;2.67,-3.64,;4.01,-2.87,;4.01,-1.33,;2.67,-.56,;2.11,.88,;.57,.88,;-.2,2.21,;-1.74,2.21,;-2.51,3.55,;-1.74,4.88,;-.2,4.88,;.57,3.55,;-2.51,6.21,;-1.74,7.55,;-4.05,6.21,;-5.39,5.44,;-5.39,6.98,;.01,-.56,;-1.33,-1.33,;-1.33,-2.87,;.01,-3.64,;1.34,-2.87,;1.34,-1.33,;-2.66,-.56,;-3.99,-1.33,;-5.33,-.56,;-5.33,.98,;-3.99,1.75,;-2.66,.98,)| Show InChI InChI=1S/C27H28N6O3/c1-16-23(17(2)36-30-16)19-8-9-21-24-25(19)35-15-22(20-5-3-4-10-28-20)33(24)27(29-21)32-13-11-31(12-14-32)26(34)18-6-7-18/h3-5,8-10,18,22H,6-7,11-15H2,1-2H3/t22-/m1/s1 | PDB
UniProtKB/SwissProt
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Incyte Corporation
US Patent
| Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib... |
US Patent US9834565 (2017)
BindingDB Entry DOI: 10.7270/Q29P33XS |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4 [342-460]
(Homo sapiens (Human)) | BDBM362673
((4S)-2-[4-(cyclobutylcarbonyl)piperazin-1- yl]-7-(...)Show SMILES Cc1noc(C)c1-c1ccc2nc(N3CCN(CC3)C(=O)C3CCC3)n3[C@H](COc1c23)c1ccccn1 |wD:26.36,(.39,-5.61,;1.85,-6.08,;2.33,-7.55,;3.87,-7.55,;4.34,-6.08,;5.81,-5.61,;3.1,-5.18,;3.1,-3.64,;4.43,-2.87,;4.43,-1.33,;3.1,-.56,;2.53,.88,;.99,.88,;.22,2.21,;-1.32,2.21,;-2.09,3.55,;-1.32,4.88,;.22,4.88,;.99,3.55,;-2.09,6.21,;-1.32,7.55,;-3.63,6.21,;-4.72,5.12,;-5.81,6.21,;-4.72,7.3,;.43,-.56,;-.9,-1.33,;-.9,-2.87,;.43,-3.64,;1.76,-2.87,;1.76,-1.33,;-2.24,-.56,;-3.57,-1.33,;-4.91,-.56,;-4.91,.98,;-3.57,1.75,;-2.24,.98,)| Show InChI InChI=1S/C28H30N6O3/c1-17-24(18(2)37-31-17)20-9-10-22-25-26(20)36-16-23(21-8-3-4-11-29-21)34(25)28(30-22)33-14-12-32(13-15-33)27(35)19-6-5-7-19/h3-4,8-11,19,23H,5-7,12-16H2,1-2H3/t23-/m1/s1 | PDB
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Incyte Corporation
US Patent
| Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib... |
US Patent US9834565 (2017)
BindingDB Entry DOI: 10.7270/Q29P33XS |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4 [342-460]
(Homo sapiens (Human)) | BDBM362674
((4S)-7-(3,5-dimethylisoxazol-4-yl)-2-[4- (methoxya...)Show SMILES COCC(=O)N1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23 |wD:27.29,(-5.87,7.55,;-4.33,7.55,;-3.56,6.21,;-2.02,6.21,;-1.25,7.55,;-1.25,4.88,;-2.02,3.55,;-1.25,2.21,;.29,2.21,;1.06,3.55,;.29,4.88,;1.06,.88,;2.6,.88,;3.16,-.56,;4.5,-1.33,;4.5,-2.87,;3.16,-3.64,;3.16,-5.18,;1.92,-6.08,;.45,-5.61,;2.39,-7.55,;3.93,-7.55,;4.41,-6.08,;5.87,-5.61,;1.83,-2.87,;.5,-3.64,;-.84,-2.87,;-.84,-1.33,;-2.17,-.56,;-3.51,-1.33,;-4.84,-.56,;-4.84,.98,;-3.51,1.75,;-2.17,.98,;.5,-.56,;1.83,-1.33,)| Show InChI InChI=1S/C26H28N6O4/c1-16-23(17(2)36-29-16)18-7-8-20-24-25(18)35-14-21(19-6-4-5-9-27-19)32(24)26(28-20)31-12-10-30(11-13-31)22(33)15-34-3/h4-9,21H,10-15H2,1-3H3/t21-/m1/s1 | PDB
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PC sid
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Incyte Corporation
US Patent
| Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib... |
US Patent US9834565 (2017)
BindingDB Entry DOI: 10.7270/Q29P33XS |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4 [342-460]
(Homo sapiens (Human)) | BDBM362428
((4S)-7-(3,5-Dimethylisoxazol-4-yl)-2-(4-isobutyryl...)Show SMILES CC(C)C(=O)N1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23 |r,wD:27.29,(6.14,4.2,;5.37,5.53,;6.14,6.86,;3.83,5.53,;3.06,6.86,;3.06,4.2,;3.83,2.86,;3.06,1.53,;1.52,1.53,;.75,2.86,;1.52,4.2,;.75,.19,;1.38,-1.21,;.23,-2.24,;.23,-3.78,;-1.1,-4.55,;-2.44,-3.78,;-3.77,-4.55,;-3.77,-6.09,;-2.44,-6.86,;-5.23,-6.57,;-6.14,-5.32,;-5.23,-4.08,;-6,-2.74,;-2.44,-2.24,;-3.77,-1.47,;-3.77,.07,;-2.44,.84,;-2.44,2.38,;-3.77,3.15,;-3.77,4.69,;-2.44,5.46,;-1.1,4.69,;-1.1,3.15,;-1.1,.07,;-1.1,-1.47,)| Show InChI InChI=1S/C27H30N6O3/c1-16(2)26(34)31-11-13-32(14-12-31)27-29-21-9-8-19(23-17(3)30-36-18(23)4)25-24(21)33(27)22(15-35-25)20-7-5-6-10-28-20/h5-10,16,22H,11-15H2,1-4H3/t22-/m1/s1 | PDB
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| PC cid
PC sid
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| n/a | n/a | <25 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
US Patent
| Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib... |
US Patent US9834565 (2017)
BindingDB Entry DOI: 10.7270/Q29P33XS |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4 [342-460]
(Homo sapiens (Human)) | BDBM362504
((4S)-2-[(2R,6S)-4-Acetyl-2,6-dimethylpiperazin-1-y...)Show SMILES C[C@H]1CN(C[C@@H](C)N1c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23)C(C)=O |r,wU:1.0,5.5,wD:24.26,(.73,1.56,;2.21,1.16,;3.3,2.25,;4.79,1.85,;5.19,.36,;4.1,-.73,;4.5,-2.22,;2.61,-.33,;1.52,-1.42,;1.12,-2.91,;-.41,-2.99,;-1.38,-4.18,;-2.9,-3.94,;-3.46,-2.51,;-5,-2.51,;-5.9,-3.75,;-5.13,-5.09,;-7.37,-3.28,;-7.37,-1.74,;-5.9,-1.26,;-5.13,.07,;-2.49,-1.31,;-3.04,.13,;-2.07,1.33,;-.55,1.08,;.22,2.42,;1.76,2.42,;2.53,3.75,;1.76,5.09,;.22,5.09,;-.55,3.75,;.23,-.58,;-.97,-1.55,;5.88,2.94,;5.48,4.42,;7.37,2.54,)| Show InChI InChI=1S/C27H30N6O3/c1-15-12-31(19(5)34)13-16(2)32(15)27-29-22-10-9-20(24-17(3)30-36-18(24)4)26-25(22)33(27)23(14-35-26)21-8-6-7-11-28-21/h6-11,15-16,23H,12-14H2,1-5H3/t15-,16+,23-/m1/s1 | PDB
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Incyte Corporation
US Patent
| Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib... |
US Patent US9834565 (2017)
BindingDB Entry DOI: 10.7270/Q29P33XS |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4 [342-460]
(Homo sapiens (Human)) | BDBM362565
((4S)-2-[(2S)-4-acetyl-2-methylpiperazin-1- yl]-7-(...)Show SMILES C[C@H]1CN(CCN1c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23)C(C)=O |wD:23.25,1.0,(2.08,3.55,;.54,3.55,;-.23,4.88,;-1.77,4.88,;-2.54,3.55,;-1.77,2.21,;-.23,2.21,;.54,.88,;2.08,.88,;2.65,-.56,;3.98,-1.33,;3.98,-2.87,;2.65,-3.64,;2.65,-5.18,;1.4,-6.08,;-.06,-5.61,;1.88,-7.55,;3.42,-7.55,;3.89,-6.08,;5.36,-5.61,;1.31,-2.87,;-.02,-3.64,;-1.36,-2.87,;-1.36,-1.33,;-2.69,-.56,;-4.02,-1.33,;-5.36,-.56,;-5.36,.98,;-4.02,1.75,;-2.69,.98,;-.02,-.56,;1.31,-1.33,;-2.54,6.21,;-4.08,6.21,;-1.77,7.55,)| Show InChI InChI=1S/C26H28N6O3/c1-15-13-30(18(4)33)11-12-31(15)26-28-21-9-8-19(23-16(2)29-35-17(23)3)25-24(21)32(26)22(14-34-25)20-7-5-6-10-27-20/h5-10,15,22H,11-14H2,1-4H3/t15-,22+/m0/s1 | PDB
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| PC cid
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Incyte Corporation
US Patent
| Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib... |
US Patent US9834565 (2017)
BindingDB Entry DOI: 10.7270/Q29P33XS |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4 [342-460]
(Homo sapiens (Human)) | BDBM362642
((4S)-2-(5-acetyl-2,5- diazabicyclo[2.2.1]hept-2-yl...)Show SMILES CC(=O)N1CC2CC1CN2c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23 |wD:26.29,(-4.08,6.21,;-2.54,6.21,;-1.77,7.55,;-1.77,4.88,;-.23,4.88,;.54,3.55,;-1,4.17,;-2.54,3.55,;-1.77,2.21,;-.23,2.21,;.54,.88,;2.08,.88,;2.65,-.56,;3.98,-1.33,;3.98,-2.87,;2.65,-3.64,;2.65,-5.18,;1.4,-6.08,;-.06,-5.61,;1.88,-7.55,;3.42,-7.55,;3.89,-6.08,;5.36,-5.61,;1.31,-2.87,;-.02,-3.64,;-1.36,-2.87,;-1.36,-1.33,;-2.69,-.56,;-4.02,-1.33,;-5.36,-.56,;-5.36,.98,;-4.02,1.75,;-2.69,.98,;-.02,-.56,;1.31,-1.33,)| Show InChI InChI=1S/C26H26N6O3/c1-14-23(15(2)35-29-14)19-7-8-21-24-25(19)34-13-22(20-6-4-5-9-27-20)32(24)26(28-21)31-12-17-10-18(31)11-30(17)16(3)33/h4-9,17-18,22H,10-13H2,1-3H3/t17?,18?,22-/m1/s1 | PDB
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Incyte Corporation
US Patent
| Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib... |
US Patent US9834565 (2017)
BindingDB Entry DOI: 10.7270/Q29P33XS |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4 [342-460]
(Homo sapiens (Human)) | BDBM362650
(N-{1-[(4S)-7-(3,5-dimethylisoxazol-4-yl)- 4-pyridi...)Show SMILES CC(=O)NC1(C)CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OCC(c4ccccn4)n1c23 |(-4.85,7.55,;-4.08,6.21,;-4.85,4.88,;-2.54,6.21,;-1.77,4.88,;-3.31,4.88,;-2.54,3.55,;-1.77,2.21,;-.23,2.21,;.54,3.55,;-.23,4.88,;.54,.88,;2.08,.88,;2.65,-.56,;3.98,-1.33,;3.98,-2.87,;2.65,-3.64,;2.65,-5.18,;1.4,-6.08,;-.06,-5.61,;1.88,-7.55,;3.42,-7.55,;3.89,-6.08,;5.36,-5.61,;1.31,-2.87,;-.02,-3.64,;-1.36,-2.87,;-1.36,-1.33,;-2.69,-.56,;-4.02,-1.33,;-5.36,-.56,;-5.36,.98,;-4.02,1.75,;-2.69,.98,;-.02,-.56,;1.31,-1.33,)| Show InChI InChI=1S/C27H30N6O3/c1-16-23(17(2)36-31-16)19-8-9-21-24-25(19)35-15-22(20-7-5-6-12-28-20)33(24)26(29-21)32-13-10-27(4,11-14-32)30-18(3)34/h5-9,12,22H,10-11,13-15H2,1-4H3,(H,30,34) | PDB
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| PC cid
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UniChem
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| n/a | n/a | <25 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
US Patent
| Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib... |
US Patent US9834565 (2017)
BindingDB Entry DOI: 10.7270/Q29P33XS |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4 [342-460]
(Homo sapiens (Human)) | BDBM362651
(N-{1-[(4S)-7-(3,5-dimethylisoxazol-4-yl)- 4-pyridi...)Show SMILES CN(C1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OCC(c4ccccn4)n1c23)C(C)=O |(-1.77,7.55,;-2.54,6.21,;-1.77,4.88,;-2.54,3.55,;-1.77,2.21,;-.23,2.21,;.54,3.55,;-.23,4.88,;.54,.88,;2.08,.88,;2.65,-.56,;3.98,-1.33,;3.98,-2.87,;2.65,-3.64,;2.65,-5.18,;1.4,-6.08,;-.06,-5.61,;1.88,-7.55,;3.42,-7.55,;3.89,-6.08,;5.36,-5.61,;1.31,-2.87,;-.02,-3.64,;-1.36,-2.87,;-1.36,-1.33,;-2.69,-.56,;-4.02,-1.33,;-5.36,-.56,;-5.36,.98,;-4.02,1.75,;-2.69,.98,;-.02,-.56,;1.31,-1.33,;-4.08,6.21,;-4.85,7.55,;-4.85,4.88,)| Show InChI InChI=1S/C27H30N6O3/c1-16-24(17(2)36-30-16)20-8-9-22-25-26(20)35-15-23(21-7-5-6-12-28-21)33(25)27(29-22)32-13-10-19(11-14-32)31(4)18(3)34/h5-9,12,19,23H,10-11,13-15H2,1-4H3 | PDB
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Incyte Corporation
US Patent
| Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib... |
US Patent US9834565 (2017)
BindingDB Entry DOI: 10.7270/Q29P33XS |
More data for this
Ligand-Target Pair | |
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