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Patent code US10881668

Compile Data Set for Download or QSAR
Found 12 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM474460
PNG
(US10881668, Compound 504)
Show SMILES Cc1sc-2c(c1C)C(=N[C@H](CC(=O)NCC(F)F)c1nnc(C)n-21)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H20ClF2N5OS/c1-10-11(2)31-21-18(10)19(13-4-6-14(22)7-5-13)26-15(8-17(30)25-9-16(23)24)20-28-27-12(3)29(20)21/h4-7,15-16H,8-9H2,1-3H3,(H,25,30)/t15-/m1/s1
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n/an/a 27n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
ssays were performed as described previously with minor modifications from the manufacturer's protocol (PerkinElmer, USA). All reagents were dilu...


US Patent US10881668 (2021)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM474458
PNG
(US10881668, Compound 502)
Show SMILES C[C@@H](O)CNC(=O)C[C@H]1N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H24ClN5O2S/c1-11(29)10-24-18(30)9-17-21-27-26-14(4)28(21)22-19(12(2)13(3)31-22)20(25-17)15-5-7-16(23)8-6-15/h5-8,11,17,29H,9-10H2,1-4H3,(H,24,30)/t11-,17-/m1/s1
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n/an/a 28n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
ssays were performed as described previously with minor modifications from the manufacturer's protocol (PerkinElmer, USA). All reagents were dilu...


US Patent US10881668 (2021)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM474461
PNG
(US10881668, Compound 505)
Show SMILES Cc1sc-2c(c1C)C(=N[C@H](CC(=O)NCCC(F)F)c1nnc(C)n-21)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H22ClF2N5OS/c1-11-12(2)32-22-19(11)20(14-4-6-15(23)7-5-14)27-16(21-29-28-13(3)30(21)22)10-18(31)26-9-8-17(24)25/h4-7,16-17H,8-10H2,1-3H3,(H,26,31)/t16-/m1/s1
PDB

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n/an/a 29n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
ssays were performed as described previously with minor modifications from the manufacturer's protocol (PerkinElmer, USA). All reagents were dilu...


US Patent US10881668 (2021)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50365262
PNG
( (S)-JQ1 (1) | CHEMBL1957266 | JQ1 | US10124009, C...)
Show SMILES Cc1nnc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1
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
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n/an/a 29n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
ssays were performed as described previously with minor modifications from the manufacturer's protocol (PerkinElmer, USA). All reagents were dilu...


US Patent US10881668 (2021)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM474457
PNG
(US10881668, Compound 501)
Show SMILES C[C@H](O)CNC(=O)C[C@H]1N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H24ClN5O2S/c1-11(29)10-24-18(30)9-17-21-27-26-14(4)28(21)22-19(12(2)13(3)31-22)20(25-17)15-5-7-16(23)8-6-15/h5-8,11,17,29H,9-10H2,1-4H3,(H,24,30)/t11-,17+/m0/s1
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n/an/a 36n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
ssays were performed as described previously with minor modifications from the manufacturer's protocol (PerkinElmer, USA). All reagents were dilu...


US Patent US10881668 (2021)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM474459
PNG
(US10881668, Compound 503)
Show SMILES Cc1nnc2[C@@H](CC(=O)NCC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H28ClN5OS/c1-13-14(2)32-23-20(13)21(16-7-9-17(25)10-8-16)27-18(22-29-28-15(3)30(22)23)11-19(31)26-12-24(4,5)6/h7-10,18H,11-12H2,1-6H3,(H,26,31)/t18-/m1/s1
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n/an/a 44n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
ssays were performed as described previously with minor modifications from the manufacturer's protocol (PerkinElmer, USA). All reagents were dilu...


US Patent US10881668 (2021)

More data for this
Ligand-Target Pair
Bromodomain and extra-terminal motif (BET)


(Homo sapiens (Human))
BDBM474458
PNG
(US10881668, Compound 502)
Show SMILES C[C@@H](O)CNC(=O)C[C@H]1N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H24ClN5O2S/c1-11(29)10-24-18(30)9-17-21-27-26-14(4)28(21)22-19(12(2)13(3)31-22)20(25-17)15-5-7-16(23)8-6-15/h5-8,11,17,29H,9-10H2,1-4H3,(H,24,30)/t11-,17-/m1/s1
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n/an/a 61n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
ssays were performed as described previously with minor modifications from the manufacturer's protocol (PerkinElmer, USA). All reagents were dilu...


US Patent US10881668 (2021)

More data for this
Ligand-Target Pair
Bromodomain and extra-terminal motif (BET)


(Homo sapiens (Human))
BDBM474460
PNG
(US10881668, Compound 504)
Show SMILES Cc1sc-2c(c1C)C(=N[C@H](CC(=O)NCC(F)F)c1nnc(C)n-21)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H20ClF2N5OS/c1-10-11(2)31-21-18(10)19(13-4-6-14(22)7-5-13)26-15(8-17(30)25-9-16(23)24)20-28-27-12(3)29(20)21/h4-7,15-16H,8-9H2,1-3H3,(H,25,30)/t15-/m1/s1
PDB
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n/an/a 69n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
ssays were performed as described previously with minor modifications from the manufacturer's protocol (PerkinElmer, USA). All reagents were dilu...


US Patent US10881668 (2021)

More data for this
Ligand-Target Pair
Bromodomain and extra-terminal motif (BET)


(Homo sapiens (Human))
BDBM474461
PNG
(US10881668, Compound 505)
Show SMILES Cc1sc-2c(c1C)C(=N[C@H](CC(=O)NCCC(F)F)c1nnc(C)n-21)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H22ClF2N5OS/c1-11-12(2)32-22-19(11)20(14-4-6-15(23)7-5-14)27-16(21-29-28-13(3)30(21)22)10-18(31)26-9-8-17(24)25/h4-7,16-17H,8-10H2,1-3H3,(H,26,31)/t16-/m1/s1
PDB
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n/an/a 75n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
ssays were performed as described previously with minor modifications from the manufacturer's protocol (PerkinElmer, USA). All reagents were dilu...


US Patent US10881668 (2021)

More data for this
Ligand-Target Pair
Bromodomain and extra-terminal motif (BET)


(Homo sapiens (Human))
BDBM50365262
PNG
( (S)-JQ1 (1) | CHEMBL1957266 | JQ1 | US10124009, C...)
Show SMILES Cc1nnc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1
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
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n/an/a 77n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
ssays were performed as described previously with minor modifications from the manufacturer's protocol (PerkinElmer, USA). All reagents were dilu...


US Patent US10881668 (2021)

More data for this
Ligand-Target Pair
Bromodomain and extra-terminal motif (BET)


(Homo sapiens (Human))
BDBM474457
PNG
(US10881668, Compound 501)
Show SMILES C[C@H](O)CNC(=O)C[C@H]1N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H24ClN5O2S/c1-11(29)10-24-18(30)9-17-21-27-26-14(4)28(21)22-19(12(2)13(3)31-22)20(25-17)15-5-7-16(23)8-6-15/h5-8,11,17,29H,9-10H2,1-4H3,(H,24,30)/t11-,17+/m0/s1
PDB
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n/an/a 82n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
ssays were performed as described previously with minor modifications from the manufacturer's protocol (PerkinElmer, USA). All reagents were dilu...


US Patent US10881668 (2021)

More data for this
Ligand-Target Pair
Bromodomain and extra-terminal motif (BET)


(Homo sapiens (Human))
BDBM474459
PNG
(US10881668, Compound 503)
Show SMILES Cc1nnc2[C@@H](CC(=O)NCC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H28ClN5OS/c1-13-14(2)32-23-20(13)21(16-7-9-17(25)10-8-16)27-18(22-29-28-15(3)30(22)23)11-19(31)26-12-24(4,5)6/h7-10,18H,11-12H2,1-6H3,(H,26,31)/t18-/m1/s1
PDB
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n/an/a 89n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
ssays were performed as described previously with minor modifications from the manufacturer's protocol (PerkinElmer, USA). All reagents were dilu...


US Patent US10881668 (2021)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%