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Patent code US9320741

Compile Data Set for Download or QSAR
Found 14 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/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM223491
PNG
(US9320741, JQ6)
Show SMILES Cc1nnc2[C@H](CC(=O)N\N=C\c3ncc[nH]3)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H21ClN8OS/c1-12-13(2)34-23-20(12)21(15-4-6-16(24)7-5-15)28-17(22-31-29-14(3)32(22)23)10-19(33)30-27-11-18-25-8-9-26-18/h4-9,11,17H,10H2,1-3H3,(H,25,26)(H,30,33)/b27-11+/t17-/m0/s1
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UniChem
US Patent
n/an/a 0.240n/an/an/an/an/an/a



DANA-FARBER CANCER INSTITUTE, INC.

US Patent


Assay Description
BRD4(2): Assays were performed as described previously with minor modifications from the manufacturer's protocol (PerkinElmer, USA). All reagents wer...


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


(Homo sapiens (Human))
BDBM223492
PNG
(US9320741, JQ8)
Show SMILES Cc1nnc2[C@H](CC(=O)NCCc3cnc[nH]3)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H24ClN7OS/c1-13-14(2)34-24-21(13)22(16-4-6-17(25)7-5-16)29-19(23-31-30-15(3)32(23)24)10-20(33)27-9-8-18-11-26-12-28-18/h4-7,11-12,19H,8-10H2,1-3H3,(H,26,28)(H,27,33)/t19-/m0/s1
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US Patent
n/an/a 0.427n/an/an/an/an/an/a



DANA-FARBER CANCER INSTITUTE, INC.

US Patent


Assay Description
BRD4(2): Assays were performed as described previously with minor modifications from the manufacturer's protocol (PerkinElmer, USA). All reagents wer...


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


(Homo sapiens (Human))
BDBM223493
PNG
(US9320741, JQ13)
Show SMILES CN1CCN(CCNC(=O)C[C@@H]2N=C(c3c(C)c(C)sc3-n3c(C)nnc23)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C26H32ClN7OS/c1-16-17(2)36-26-23(16)24(19-5-7-20(27)8-6-19)29-21(25-31-30-18(3)34(25)26)15-22(35)28-9-10-33-13-11-32(4)12-14-33/h5-8,21H,9-15H2,1-4H3,(H,28,35)/t21-/m0/s1
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n/an/a 0.584n/an/an/an/an/an/a



DANA-FARBER CANCER INSTITUTE, INC.

US Patent


Assay Description
BRD4(2): Assays were performed as described previously with minor modifications from the manufacturer's protocol (PerkinElmer, USA). All reagents wer...


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


(Homo sapiens (Human))
BDBM223492
PNG
(US9320741, JQ8)
Show SMILES Cc1nnc2[C@H](CC(=O)NCCc3cnc[nH]3)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H24ClN7OS/c1-13-14(2)34-24-21(13)22(16-4-6-17(25)7-5-16)29-19(23-31-30-15(3)32(23)24)10-20(33)27-9-8-18-11-26-12-28-18/h4-7,11-12,19H,8-10H2,1-3H3,(H,26,28)(H,27,33)/t19-/m0/s1
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n/an/a 2.19n/an/an/an/an/an/a



DANA-FARBER CANCER INSTITUTE, INC.

US Patent


Assay Description
BRD4(1): Assays were performed as described previously with minor modifications from the manufacturer's protocol (PerkinElmer, USA). All reagents wer...


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


(Homo sapiens (Human))
BDBM223493
PNG
(US9320741, JQ13)
Show SMILES CN1CCN(CCNC(=O)C[C@@H]2N=C(c3c(C)c(C)sc3-n3c(C)nnc23)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C26H32ClN7OS/c1-16-17(2)36-26-23(16)24(19-5-7-20(27)8-6-19)29-21(25-31-30-18(3)34(25)26)15-22(35)28-9-10-33-13-11-32(4)12-14-33/h5-8,21H,9-15H2,1-4H3,(H,28,35)/t21-/m0/s1
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n/an/a 2.49n/an/an/an/an/an/a



DANA-FARBER CANCER INSTITUTE, INC.

US Patent


Assay Description
BRD4(1): Assays were performed as described previously with minor modifications from the manufacturer's protocol (PerkinElmer, USA). All reagents wer...


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


(Homo sapiens (Human))
BDBM223491
PNG
(US9320741, JQ6)
Show SMILES Cc1nnc2[C@H](CC(=O)N\N=C\c3ncc[nH]3)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H21ClN8OS/c1-12-13(2)34-23-20(12)21(15-4-6-16(24)7-5-15)28-17(22-31-29-14(3)32(22)23)10-19(33)30-27-11-18-25-8-9-26-18/h4-9,11,17H,10H2,1-3H3,(H,25,26)(H,30,33)/b27-11+/t17-/m0/s1
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n/an/a 3.48n/an/an/an/an/an/a



DANA-FARBER CANCER INSTITUTE, INC.

US Patent


Assay Description
BRD4(1): Assays were performed as described previously with minor modifications from the manufacturer's protocol (PerkinElmer, USA). All reagents wer...


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


(Homo sapiens (Human))
BDBM223495
PNG
(US9320741, JQ35)
Show SMILES CN1CCN(CCCNC(=O)CC2N=C(c3c(C)c(C)sc3-n3c(C)nnc23)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C27H34ClN7OS/c1-17-18(2)37-27-24(17)25(20-6-8-21(28)9-7-20)30-22(26-32-31-19(3)35(26)27)16-23(36)29-10-5-11-34-14-12-33(4)13-15-34/h6-9,22H,5,10-16H2,1-4H3,(H,29,36)
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n/an/a 6.13n/an/an/an/an/an/a



DANA-FARBER CANCER INSTITUTE, INC.

US Patent


Assay Description
BRD4(2): Assays were performed as described previously with minor modifications from the manufacturer's protocol (PerkinElmer, USA). All reagents wer...


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


(Homo sapiens (Human))
BDBM50365262
PNG
( (S)-JQ1 (1) | CHEMBL1957266 | JQ1 | US9320741, (S...)
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 14n/an/an/an/an/an/a



DANA-FARBER CANCER INSTITUTE, INC.

US Patent


Assay Description
BRD4(2): Assays were performed as described previously with minor modifications from the manufacturer's protocol (PerkinElmer, USA). All reagents wer...


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


(Homo sapiens (Human))
BDBM50365262
PNG
( (S)-JQ1 (1) | CHEMBL1957266 | JQ1 | US9320741, (S...)
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 18n/an/an/an/an/an/a



DANA-FARBER CANCER INSTITUTE, INC.

US Patent


Assay Description
BRD4(1): Assays were performed as described previously with minor modifications from the manufacturer's protocol (PerkinElmer, USA). All reagents wer...


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


(Homo sapiens (Human))
BDBM223495
PNG
(US9320741, JQ35)
Show SMILES CN1CCN(CCCNC(=O)CC2N=C(c3c(C)c(C)sc3-n3c(C)nnc23)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C27H34ClN7OS/c1-17-18(2)37-27-24(17)25(20-6-8-21(28)9-7-20)30-22(26-32-31-19(3)35(26)27)16-23(36)29-10-5-11-34-14-12-33(4)13-15-34/h6-9,22H,5,10-16H2,1-4H3,(H,29,36)
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n/an/a 24.3n/an/an/an/an/an/a



DANA-FARBER CANCER INSTITUTE, INC.

US Patent


Assay Description
BRD4(1): Assays were performed as described previously with minor modifications from the manufacturer's protocol (PerkinElmer, USA). All reagents wer...


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


(Homo sapiens (Human))
BDBM223494
PNG
(US9320741, JQ33)
Show SMILES Cc1sc-2c(c1C)C(=NC(CC(=O)NCCN1CCOCC1)c1nnc(C)n-21)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H29ClN6O2S/c1-15-16(2)35-25-22(15)23(18-4-6-19(26)7-5-18)28-20(24-30-29-17(3)32(24)25)14-21(33)27-8-9-31-10-12-34-13-11-31/h4-7,20H,8-14H2,1-3H3,(H,27,33)
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n/an/a 29.5n/an/an/an/an/an/a



DANA-FARBER CANCER INSTITUTE, INC.

US Patent


Assay Description
BRD4(2): Assays were performed as described previously with minor modifications from the manufacturer's protocol (PerkinElmer, USA). All reagents wer...


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


(Homo sapiens (Human))
BDBM223494
PNG
(US9320741, JQ33)
Show SMILES Cc1sc-2c(c1C)C(=NC(CC(=O)NCCN1CCOCC1)c1nnc(C)n-21)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H29ClN6O2S/c1-15-16(2)35-25-22(15)23(18-4-6-19(26)7-5-18)28-20(24-30-29-17(3)32(24)25)14-21(33)27-8-9-31-10-12-34-13-11-31/h4-7,20H,8-14H2,1-3H3,(H,27,33)
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n/an/a 85n/an/an/an/an/an/a



DANA-FARBER CANCER INSTITUTE, INC.

US Patent


Assay Description
BRD4(1): Assays were performed as described previously with minor modifications from the manufacturer's protocol (PerkinElmer, USA). All reagents wer...


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


(Homo sapiens (Human))
BDBM205429
PNG
( (R)-JQ1 (3) | US9320741, (R)-JQ1)
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-/m1/s1
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n/an/a 8.35E+6n/an/an/an/an/an/a



DANA-FARBER CANCER INSTITUTE, INC.

US Patent


Assay Description
BRD4(1): Assays were performed as described previously with minor modifications from the manufacturer's protocol (PerkinElmer, USA). All reagents wer...


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


(Homo sapiens (Human))
BDBM205429
PNG
( (R)-JQ1 (3) | US9320741, (R)-JQ1)
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-/m1/s1
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n/an/a 5.21E+7n/an/an/an/an/an/a



DANA-FARBER CANCER INSTITUTE, INC.

US Patent


Assay Description
BRD4(2): Assays were performed as described previously with minor modifications from the manufacturer's protocol (PerkinElmer, USA). All reagents wer...


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