Found 6 hits for monomerid = 318614 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Bromodomain-containing protein 4 [49-170]
(Homo sapiens (Human)) | BDBM318614
(Methyl {(3R)-1-[(4S)-7-(3,5-dimethylisoxazol-4-yl)...)Show SMILES COC(=O)N[C@@H]1CCN(C1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23 |r,wU:5.4,wD:26.28,(6.88,3.1,;5.79,4.19,;4.3,3.79,;3.9,2.3,;3.21,4.88,;1.73,4.48,;.26,4.95,;-.64,3.71,;.26,2.46,;1.73,2.94,;-.51,1.13,;.26,-.21,;-.51,-1.54,;-.51,-3.08,;-1.84,-3.85,;-3.18,-3.08,;-4.51,-3.85,;-4.51,-5.39,;-3.18,-6.16,;-5.97,-5.87,;-6.88,-4.62,;-5.97,-3.37,;-6.74,-2.04,;-3.18,-1.54,;-4.51,-.77,;-4.51,.77,;-3.18,1.54,;-3.18,3.08,;-4.51,3.85,;-4.51,5.39,;-3.18,6.16,;-1.84,5.39,;-1.84,3.85,;-1.84,.77,;-1.84,-.77,)| Show InChI InChI=1S/C25H26N6O4/c1-14-21(15(2)35-29-14)17-7-8-19-22-23(17)34-13-20(18-6-4-5-10-26-18)31(22)24(28-19)30-11-9-16(12-30)27-25(32)33-3/h4-8,10,16,20H,9,11-13H2,1-3H3,(H,27,32)/t16-,20-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation; Incyte Holdings 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 US9624241 (2017)
BindingDB Entry DOI: 10.7270/Q2NZ89QB |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4 [342-460]
(Homo sapiens (Human)) | BDBM318614
(Methyl {(3R)-1-[(4S)-7-(3,5-dimethylisoxazol-4-yl)...)Show SMILES COC(=O)N[C@@H]1CCN(C1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23 |r,wU:5.4,wD:26.28,(6.88,3.1,;5.79,4.19,;4.3,3.79,;3.9,2.3,;3.21,4.88,;1.73,4.48,;.26,4.95,;-.64,3.71,;.26,2.46,;1.73,2.94,;-.51,1.13,;.26,-.21,;-.51,-1.54,;-.51,-3.08,;-1.84,-3.85,;-3.18,-3.08,;-4.51,-3.85,;-4.51,-5.39,;-3.18,-6.16,;-5.97,-5.87,;-6.88,-4.62,;-5.97,-3.37,;-6.74,-2.04,;-3.18,-1.54,;-4.51,-.77,;-4.51,.77,;-3.18,1.54,;-3.18,3.08,;-4.51,3.85,;-4.51,5.39,;-3.18,6.16,;-1.84,5.39,;-1.84,3.85,;-1.84,.77,;-1.84,-.77,)| Show InChI InChI=1S/C25H26N6O4/c1-14-21(15(2)35-29-14)17-7-8-19-22-23(17)34-13-20(18-6-4-5-10-26-18)31(22)24(28-19)30-11-9-16(12-30)27-25(32)33-3/h4-8,10,16,20H,9,11-13H2,1-3H3,(H,27,32)/t16-,20-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation; Incyte Holdings 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 US9624241 (2017)
BindingDB Entry DOI: 10.7270/Q2NZ89QB |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4 [353-454]
(Homo sapiens (Human)) | BDBM318614
(Methyl {(3R)-1-[(4S)-7-(3,5-dimethylisoxazol-4-yl)...)Show SMILES COC(=O)N[C@@H]1CCN(C1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23 |r,wU:5.4,wD:26.28,(6.88,3.1,;5.79,4.19,;4.3,3.79,;3.9,2.3,;3.21,4.88,;1.73,4.48,;.26,4.95,;-.64,3.71,;.26,2.46,;1.73,2.94,;-.51,1.13,;.26,-.21,;-.51,-1.54,;-.51,-3.08,;-1.84,-3.85,;-3.18,-3.08,;-4.51,-3.85,;-4.51,-5.39,;-3.18,-6.16,;-5.97,-5.87,;-6.88,-4.62,;-5.97,-3.37,;-6.74,-2.04,;-3.18,-1.54,;-4.51,-.77,;-4.51,.77,;-3.18,1.54,;-3.18,3.08,;-4.51,3.85,;-4.51,5.39,;-3.18,6.16,;-1.84,5.39,;-1.84,3.85,;-1.84,.77,;-1.84,-.77,)| Show InChI InChI=1S/C25H26N6O4/c1-14-21(15(2)35-29-14)17-7-8-19-22-23(17)34-13-20(18-6-4-5-10-26-18)31(22)24(28-19)30-11-9-16(12-30)27-25(32)33-3/h4-8,10,16,20H,9,11-13H2,1-3H3,(H,27,32)/t16-,20-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Table 12: BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 40 μL for BD1 and 60 μL for ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20R9T84 |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4 [342-460]
(Homo sapiens (Human)) | BDBM318614
(Methyl {(3R)-1-[(4S)-7-(3,5-dimethylisoxazol-4-yl)...)Show SMILES COC(=O)N[C@@H]1CCN(C1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23 |r,wU:5.4,wD:26.28,(6.88,3.1,;5.79,4.19,;4.3,3.79,;3.9,2.3,;3.21,4.88,;1.73,4.48,;.26,4.95,;-.64,3.71,;.26,2.46,;1.73,2.94,;-.51,1.13,;.26,-.21,;-.51,-1.54,;-.51,-3.08,;-1.84,-3.85,;-3.18,-3.08,;-4.51,-3.85,;-4.51,-5.39,;-3.18,-6.16,;-5.97,-5.87,;-6.88,-4.62,;-5.97,-3.37,;-6.74,-2.04,;-3.18,-1.54,;-4.51,-.77,;-4.51,.77,;-3.18,1.54,;-3.18,3.08,;-4.51,3.85,;-4.51,5.39,;-3.18,6.16,;-1.84,5.39,;-1.84,3.85,;-1.84,.77,;-1.84,-.77,)| Show InChI InChI=1S/C25H26N6O4/c1-14-21(15(2)35-29-14)17-7-8-19-22-23(17)34-13-20(18-6-4-5-10-26-18)31(22)24(28-19)30-11-9-16(12-30)27-25(32)33-3/h4-8,10,16,20H,9,11-13H2,1-3H3,(H,27,32)/t16-,20-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Holdings Corporation; 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 40 μL for BD1 and 60 μL for BD2. Inhib... |
US Patent US10464947 (2019)
BindingDB Entry DOI: 10.7270/Q2TT4TB8 |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4 [58-164]
(Homo sapiens (Human)) | BDBM318614
(Methyl {(3R)-1-[(4S)-7-(3,5-dimethylisoxazol-4-yl)...)Show SMILES COC(=O)N[C@@H]1CCN(C1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23 |r,wU:5.4,wD:26.28,(6.88,3.1,;5.79,4.19,;4.3,3.79,;3.9,2.3,;3.21,4.88,;1.73,4.48,;.26,4.95,;-.64,3.71,;.26,2.46,;1.73,2.94,;-.51,1.13,;.26,-.21,;-.51,-1.54,;-.51,-3.08,;-1.84,-3.85,;-3.18,-3.08,;-4.51,-3.85,;-4.51,-5.39,;-3.18,-6.16,;-5.97,-5.87,;-6.88,-4.62,;-5.97,-3.37,;-6.74,-2.04,;-3.18,-1.54,;-4.51,-.77,;-4.51,.77,;-3.18,1.54,;-3.18,3.08,;-4.51,3.85,;-4.51,5.39,;-3.18,6.16,;-1.84,5.39,;-1.84,3.85,;-1.84,.77,;-1.84,-.77,)| Show InChI InChI=1S/C25H26N6O4/c1-14-21(15(2)35-29-14)17-7-8-19-22-23(17)34-13-20(18-6-4-5-10-26-18)31(22)24(28-19)30-11-9-16(12-30)27-25(32)33-3/h4-8,10,16,20H,9,11-13H2,1-3H3,(H,27,32)/t16-,20-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Table 11: 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 ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20R9T84 |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4 [42-168]
(Homo sapiens (Human)) | BDBM318614
(Methyl {(3R)-1-[(4S)-7-(3,5-dimethylisoxazol-4-yl)...)Show SMILES COC(=O)N[C@@H]1CCN(C1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23 |r,wU:5.4,wD:26.28,(6.88,3.1,;5.79,4.19,;4.3,3.79,;3.9,2.3,;3.21,4.88,;1.73,4.48,;.26,4.95,;-.64,3.71,;.26,2.46,;1.73,2.94,;-.51,1.13,;.26,-.21,;-.51,-1.54,;-.51,-3.08,;-1.84,-3.85,;-3.18,-3.08,;-4.51,-3.85,;-4.51,-5.39,;-3.18,-6.16,;-5.97,-5.87,;-6.88,-4.62,;-5.97,-3.37,;-6.74,-2.04,;-3.18,-1.54,;-4.51,-.77,;-4.51,.77,;-3.18,1.54,;-3.18,3.08,;-4.51,3.85,;-4.51,5.39,;-3.18,6.16,;-1.84,5.39,;-1.84,3.85,;-1.84,.77,;-1.84,-.77,)| Show InChI InChI=1S/C25H26N6O4/c1-14-21(15(2)35-29-14)17-7-8-19-22-23(17)34-13-20(18-6-4-5-10-26-18)31(22)24(28-19)30-11-9-16(12-30)27-25(32)33-3/h4-8,10,16,20H,9,11-13H2,1-3H3,(H,27,32)/t16-,20-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Holdings Corporation; 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 40 μL for BD1 and 60 μL for BD2. Inhib... |
US Patent US10464947 (2019)
BindingDB Entry DOI: 10.7270/Q2TT4TB8 |
More data for this Ligand-Target Pair | |