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Compile Data Set for Download or QSAR

Found 28 hits with Last Name = 'landau' and Initial = 'sb'   
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 [349-460]


(Homo sapiens (Human))
BDBM223491
PNG
(US10407441, Compound JQ6 | US10925881, Name (S)-JQ...)
Show SMILES Cc1nnc2[C@H](CC(=O)N\N=C\c3ncc[nH]3)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |r,c:18|
PDB

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PC sid
UniChem
US Patent
n/an/a 0.240n/an/an/an/an/an/a



Tensha Therapeutics, Inc.

US Patent


Assay Description
The binding activity of lead compounds with the BRD4 site 2 was determined by Alpha-assay with a 12-point dose response curve


US Patent US10925881 (2021)


BindingDB Entry DOI: 10.7270/Q2JS9TJ1
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [349-460]


(Homo sapiens (Human))
BDBM223492
PNG
(US10407441, Compound JQ8 | US10925881, Name (S)-JQ...)
Show SMILES Cc1nnc2[C@H](CC(=O)NCCc3cnc[nH]3)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |r,c:18|
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US Patent
n/an/a 0.427n/an/an/an/an/an/a



Tensha Therapeutics, Inc.

US Patent


Assay Description
The binding activity of lead compounds with the BRD4 site 2 was determined by Alpha-assay with a 12-point dose response curve


US Patent US10925881 (2021)


BindingDB Entry DOI: 10.7270/Q2JS9TJ1
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [349-460]


(Homo sapiens (Human))
BDBM223493
PNG
(US10407441, Compound JQ13 | US10925881, Name (S)-J...)
Show SMILES CN1CCN(CCNC(=O)C[C@@H]2N=C(c3c(C)c(C)sc3-n3c(C)nnc23)c2ccc(Cl)cc2)CC1 |r,c:12|
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



Tensha Therapeutics, Inc.

US Patent


Assay Description
The binding activity of lead compounds with the BRD4 site 2 was determined by Alpha-assay with a 12-point dose response curve


US Patent US10925881 (2021)


BindingDB Entry DOI: 10.7270/Q2JS9TJ1
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-167]


(Homo sapiens (Human))
BDBM223492
PNG
(US10407441, Compound JQ8 | US10925881, Name (S)-JQ...)
Show SMILES Cc1nnc2[C@H](CC(=O)NCCc3cnc[nH]3)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |r,c:18|
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US Patent
n/an/a 2.19n/an/an/an/an/an/a



Tensha Therapeutics, Inc.

US Patent


Assay Description
The binding activity of lead compounds with the BRD4 site 1 was determined by Alpha-assay with a 12-point dose response curve


US Patent US10925881 (2021)


BindingDB Entry DOI: 10.7270/Q2JS9TJ1
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-167]


(Homo sapiens (Human))
BDBM223493
PNG
(US10407441, Compound JQ13 | US10925881, Name (S)-J...)
Show SMILES CN1CCN(CCNC(=O)C[C@@H]2N=C(c3c(C)c(C)sc3-n3c(C)nnc23)c2ccc(Cl)cc2)CC1 |r,c:12|
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



Tensha Therapeutics, Inc.

US Patent


Assay Description
The binding activity of lead compounds with the BRD4 site 1 was determined by Alpha-assay with a 12-point dose response curve


US Patent US10925881 (2021)


BindingDB Entry DOI: 10.7270/Q2JS9TJ1
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-167]


(Homo sapiens (Human))
BDBM223491
PNG
(US10407441, Compound JQ6 | US10925881, Name (S)-JQ...)
Show SMILES Cc1nnc2[C@H](CC(=O)N\N=C\c3ncc[nH]3)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |r,c:18|
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n/an/a 3.48n/an/an/an/an/an/a



Tensha Therapeutics, Inc.

US Patent


Assay Description
The binding activity of lead compounds with the BRD4 site 1 was determined by Alpha-assay with a 12-point dose response curve


US Patent US10925881 (2021)


BindingDB Entry DOI: 10.7270/Q2JS9TJ1
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [349-460]


(Homo sapiens (Human))
BDBM483491
PNG
(US10925881, Name (S)-JQ35)
Show SMILES CN1CCN(CCCNC(=O)C[C@@H]2N=C(c3c(C)c(C)sc3-n3c(C)nnc23)c2ccc(Cl)cc2)CC1 |r,c:13|
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)/t22-/m0/s1
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n/an/a 6.13n/an/an/an/an/an/a



Tensha Therapeutics, Inc.

US Patent


Assay Description
The binding activity of lead compounds with the BRD4 site 2 was determined by Alpha-assay with a 12-point dose response curve


US Patent US10925881 (2021)


BindingDB Entry DOI: 10.7270/Q2JS9TJ1
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [349-460]


(Homo sapiens (Human))
BDBM50365262
PNG
((+)-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
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n/an/a 14n/an/an/an/an/an/a



Tensha Therapeutics, Inc.

US Patent


Assay Description
The binding activity of lead compounds with the BRD4 site 2 was determined by Alpha-assay with a 12-point dose response curve


US Patent US10925881 (2021)


BindingDB Entry DOI: 10.7270/Q2JS9TJ1
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-167]


(Homo sapiens (Human))
BDBM50365262
PNG
((+)-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
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n/an/a 18n/an/an/an/an/an/a



Tensha Therapeutics, Inc.

US Patent


Assay Description
The binding activity of lead compounds with the BRD4 site 1 was determined by Alpha-assay with a 12-point dose response curve


US Patent US10925881 (2021)


BindingDB Entry DOI: 10.7270/Q2JS9TJ1
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-167]


(Homo sapiens (Human))
BDBM483491
PNG
(US10925881, Name (S)-JQ35)
Show SMILES CN1CCN(CCCNC(=O)C[C@@H]2N=C(c3c(C)c(C)sc3-n3c(C)nnc23)c2ccc(Cl)cc2)CC1 |r,c:13|
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)/t22-/m0/s1
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n/an/a 24.3n/an/an/an/an/an/a



Tensha Therapeutics, Inc.

US Patent


Assay Description
The binding activity of lead compounds with the BRD4 site 1 was determined by Alpha-assay with a 12-point dose response curve


US Patent US10925881 (2021)


BindingDB Entry DOI: 10.7270/Q2JS9TJ1
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [349-460]


(Homo sapiens (Human))
BDBM483490
PNG
(US10925881, Name (S)-JQ33)
Show SMILES Cc1sc-2c(c1C)C(=N[C@@H](CC(=O)NCCN1CCOCC1)c1nnc(C)n-21)c1ccc(Cl)cc1 |r,c:8|
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)/t20-/m0/s1
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n/an/a 29.5n/an/an/an/an/an/a



Tensha Therapeutics, Inc.

US Patent


Assay Description
The binding activity of lead compounds with the BRD4 site 2 was determined by Alpha-assay with a 12-point dose response curve


US Patent US10925881 (2021)


BindingDB Entry DOI: 10.7270/Q2JS9TJ1
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-167]


(Homo sapiens (Human))
BDBM483490
PNG
(US10925881, Name (S)-JQ33)
Show SMILES Cc1sc-2c(c1C)C(=N[C@@H](CC(=O)NCCN1CCOCC1)c1nnc(C)n-21)c1ccc(Cl)cc1 |r,c:8|
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)/t20-/m0/s1
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n/an/a 85n/an/an/an/an/an/a



Tensha Therapeutics, Inc.

US Patent


Assay Description
The binding activity of lead compounds with the BRD4 site 1 was determined by Alpha-assay with a 12-point dose response curve


US Patent US10925881 (2021)


BindingDB Entry DOI: 10.7270/Q2JS9TJ1
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-167]


(Homo sapiens (Human))
BDBM205429
PNG
( (R)-JQ1 (3) | US10407441, Compound (R)-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-/m1/s1
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n/an/a 8.35E+6n/an/an/an/an/an/a



Tensha Therapeutics, Inc.

US Patent


Assay Description
The binding activity of lead compounds with the BRD4 site 1 was determined by Alpha-assay with a 12-point dose response curve


US Patent US10925881 (2021)


BindingDB Entry DOI: 10.7270/Q2JS9TJ1
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [349-460]


(Homo sapiens (Human))
BDBM205429
PNG
( (R)-JQ1 (3) | US10407441, Compound (R)-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-/m1/s1
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n/an/a 5.21E+7n/an/an/an/an/an/a



Tensha Therapeutics, Inc.

US Patent


Assay Description
The binding activity of lead compounds with the BRD4 site 2 was determined by Alpha-assay with a 12-point dose response curve


US Patent US10925881 (2021)


BindingDB Entry DOI: 10.7270/Q2JS9TJ1
More data for this
Ligand-Target Pair
Isoform C of Bromodomain-containing protein 4 (Short)


(Homo sapiens (Human))
BDBM298351
PNG
(US10124009, Compound 7)
Show SMILES Cc1sc-2c(c1C)C(=N[C@@H](CC(=O)OC\C(Br)=C(/Br)CO)c1nnc(C)n-21)c1ccc(Cl)cc1 |r,c:8|
Show InChI InChI=1S/C23H21Br2ClN4O3S/c1-11-12(2)34-23-20(11)21(14-4-6-15(26)7-5-14)27-18(22-29-28-13(3)30(22)23)8-19(32)33-10-17(25)16(24)9-31/h4-7,18,31H,8-10H2,1-3H3/b17-16+/t18-/m0/s1
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n/an/an/a 2.10E+3n/an/an/an/an/a



Tensha Therapeutics, Inc.

US Patent




US Patent US10124009 (2018)


BindingDB Entry DOI: 10.7270/Q26975MC
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM298351
PNG
(US10124009, Compound 7)
Show SMILES Cc1sc-2c(c1C)C(=N[C@@H](CC(=O)OC\C(Br)=C(/Br)CO)c1nnc(C)n-21)c1ccc(Cl)cc1 |r,c:8|
Show InChI InChI=1S/C23H21Br2ClN4O3S/c1-11-12(2)34-23-20(11)21(14-4-6-15(26)7-5-14)27-18(22-29-28-13(3)30(22)23)8-19(32)33-10-17(25)16(24)9-31/h4-7,18,31H,8-10H2,1-3H3/b17-16+/t18-/m0/s1
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n/an/an/a 1.50E+3n/an/an/an/an/a



Tensha Therapeutics, Inc.

US Patent


Assay Description
A BROMOscan binding assay was utilized to test the in vitro binding activity of (S)-Compounds 1, 2, 3, 4, 5 and 7 to the first and second bromodomain...


US Patent US10124009 (2018)


BindingDB Entry DOI: 10.7270/Q26975MC
More data for this
Ligand-Target Pair
Isoform C of Bromodomain-containing protein 4 (Short)


(Homo sapiens (Human))
BDBM298350
PNG
(US10124009, Compound 5)
Show SMILES Cc1sc-2c(c1C)C(=N[C@@H](CC(=O)OCCCCCCO)c1nnc(C)n-21)c1ccc(Cl)cc1 |r,c:8|
Show InChI InChI=1S/C25H29ClN4O3S/c1-15-16(2)34-25-22(15)23(18-8-10-19(26)11-9-18)27-20(24-29-28-17(3)30(24)25)14-21(32)33-13-7-5-4-6-12-31/h8-11,20,31H,4-7,12-14H2,1-3H3/t20-/m0/s1
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n/an/an/a 400n/an/an/an/an/a



Tensha Therapeutics, Inc.

US Patent




US Patent US10124009 (2018)


BindingDB Entry DOI: 10.7270/Q26975MC
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM298350
PNG
(US10124009, Compound 5)
Show SMILES Cc1sc-2c(c1C)C(=N[C@@H](CC(=O)OCCCCCCO)c1nnc(C)n-21)c1ccc(Cl)cc1 |r,c:8|
Show InChI InChI=1S/C25H29ClN4O3S/c1-15-16(2)34-25-22(15)23(18-8-10-19(26)11-9-18)27-20(24-29-28-17(3)30(24)25)14-21(32)33-13-7-5-4-6-12-31/h8-11,20,31H,4-7,12-14H2,1-3H3/t20-/m0/s1
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n/an/an/a 430n/an/an/an/an/a



Tensha Therapeutics, Inc.

US Patent


Assay Description
A BROMOscan binding assay was utilized to test the in vitro binding activity of (S)-Compounds 1, 2, 3, 4, 5 and 7 to the first and second bromodomain...


US Patent US10124009 (2018)


BindingDB Entry DOI: 10.7270/Q26975MC
More data for this
Ligand-Target Pair
Isoform C of Bromodomain-containing protein 4 (Short)


(Homo sapiens (Human))
BDBM298349
PNG
(US10124009, Compound 4)
Show SMILES Cc1sc-2c(c1C)C(=N[C@@H](CC(=O)OCCCO)c1nnc(C)n-21)c1ccc(Cl)cc1 |r,c:8|
Show InChI InChI=1S/C22H23ClN4O3S/c1-12-13(2)31-22-19(12)20(15-5-7-16(23)8-6-15)24-17(11-18(29)30-10-4-9-28)21-26-25-14(3)27(21)22/h5-8,17,28H,4,9-11H2,1-3H3/t17-/m0/s1
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n/an/an/a 1.30E+3n/an/an/an/an/a



Tensha Therapeutics, Inc.

US Patent




US Patent US10124009 (2018)


BindingDB Entry DOI: 10.7270/Q26975MC
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM298349
PNG
(US10124009, Compound 4)
Show SMILES Cc1sc-2c(c1C)C(=N[C@@H](CC(=O)OCCCO)c1nnc(C)n-21)c1ccc(Cl)cc1 |r,c:8|
Show InChI InChI=1S/C22H23ClN4O3S/c1-12-13(2)31-22-19(12)20(15-5-7-16(23)8-6-15)24-17(11-18(29)30-10-4-9-28)21-26-25-14(3)27(21)22/h5-8,17,28H,4,9-11H2,1-3H3/t17-/m0/s1
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n/an/an/a 1.10E+3n/an/an/an/an/a



Tensha Therapeutics, Inc.

US Patent


Assay Description
A BROMOscan binding assay was utilized to test the in vitro binding activity of (S)-Compounds 1, 2, 3, 4, 5 and 7 to the first and second bromodomain...


US Patent US10124009 (2018)


BindingDB Entry DOI: 10.7270/Q26975MC
More data for this
Ligand-Target Pair
Isoform C of Bromodomain-containing protein 4 (Short)


(Homo sapiens (Human))
BDBM298348
PNG
(US10124009, Compound 3)
Show SMILES Cc1sc-2c(c1C)C(=N[C@@H](CC(=O)OCCO)c1nnc(C)n-21)c1ccc(Cl)cc1 |r,c:8|
Show InChI InChI=1S/C21H21ClN4O3S/c1-11-12(2)30-21-18(11)19(14-4-6-15(22)7-5-14)23-16(10-17(28)29-9-8-27)20-25-24-13(3)26(20)21/h4-7,16,27H,8-10H2,1-3H3/t16-/m0/s1
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US Patent
n/an/an/a 1.20E+3n/an/an/an/an/a



Tensha Therapeutics, Inc.

US Patent




US Patent US10124009 (2018)


BindingDB Entry DOI: 10.7270/Q26975MC
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM298348
PNG
(US10124009, Compound 3)
Show SMILES Cc1sc-2c(c1C)C(=N[C@@H](CC(=O)OCCO)c1nnc(C)n-21)c1ccc(Cl)cc1 |r,c:8|
Show InChI InChI=1S/C21H21ClN4O3S/c1-11-12(2)30-21-18(11)19(14-4-6-15(22)7-5-14)23-16(10-17(28)29-9-8-27)20-25-24-13(3)26(20)21/h4-7,16,27H,8-10H2,1-3H3/t16-/m0/s1
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n/an/an/a 1.10E+3n/an/an/an/an/a



Tensha Therapeutics, Inc.

US Patent


Assay Description
A BROMOscan binding assay was utilized to test the in vitro binding activity of (S)-Compounds 1, 2, 3, 4, 5 and 7 to the first and second bromodomain...


US Patent US10124009 (2018)


BindingDB Entry DOI: 10.7270/Q26975MC
More data for this
Ligand-Target Pair
Isoform C of Bromodomain-containing protein 4 (Short)


(Homo sapiens (Human))
BDBM298347
PNG
(US10124009, Compound 2)
Show SMILES CC(O)COC(=O)C[C@@H]1N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(Cl)cc1 |r,c:9|
Show InChI InChI=1S/C22H23ClN4O3S/c1-11(28)10-30-18(29)9-17-21-26-25-14(4)27(21)22-19(12(2)13(3)31-22)20(24-17)15-5-7-16(23)8-6-15/h5-8,11,17,28H,9-10H2,1-4H3/t11?,17-/m0/s1
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n/an/an/a 1.90E+3n/an/an/an/an/a



Tensha Therapeutics, Inc.

US Patent




US Patent US10124009 (2018)


BindingDB Entry DOI: 10.7270/Q26975MC
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM298347
PNG
(US10124009, Compound 2)
Show SMILES CC(O)COC(=O)C[C@@H]1N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(Cl)cc1 |r,c:9|
Show InChI InChI=1S/C22H23ClN4O3S/c1-11(28)10-30-18(29)9-17-21-26-25-14(4)27(21)22-19(12(2)13(3)31-22)20(24-17)15-5-7-16(23)8-6-15/h5-8,11,17,28H,9-10H2,1-4H3/t11?,17-/m0/s1
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n/an/an/a 1.90E+3n/an/an/an/an/a



Tensha Therapeutics, Inc.

US Patent


Assay Description
A BROMOscan binding assay was utilized to test the in vitro binding activity of (S)-Compounds 1, 2, 3, 4, 5 and 7 to the first and second bromodomain...


US Patent US10124009 (2018)


BindingDB Entry DOI: 10.7270/Q26975MC
More data for this
Ligand-Target Pair
Isoform C of Bromodomain-containing protein 4 (Short)


(Homo sapiens (Human))
BDBM298346
PNG
(US10124009, Compound 1)
Show SMILES Cc1sc-2c(c1C)C(=N[C@@H](CC(=O)OC1CCC(O)CC1)c1nnc(C)n-21)c1ccc(Cl)cc1 |r,wD:9.10,c:8,(-6.28,-3.66,;-5.38,-2.42,;-5.85,-.95,;-4.61,-.05,;-3.36,-.95,;-3.84,-2.42,;-2.93,-3.66,;-1.88,-.54,;-1.27,.87,;-2,2.23,;-1.23,3.56,;.31,3.56,;1.08,4.9,;1.08,2.23,;2.62,2.23,;3.39,.9,;4.93,.9,;5.7,2.23,;7.24,2.23,;4.93,3.56,;3.39,3.56,;-3.52,2.51,;-4.16,3.9,;-5.69,3.72,;-5.99,2.21,;-7.39,1.56,;-4.64,1.46,;-.79,-1.63,;-1.18,-3.12,;-.1,-4.21,;1.39,-3.81,;2.48,-4.9,;1.79,-2.32,;.7,-1.23,)|
Show InChI InChI=1S/C25H27ClN4O3S/c1-13-14(2)34-25-22(13)23(16-4-6-17(26)7-5-16)27-20(24-29-28-15(3)30(24)25)12-21(32)33-19-10-8-18(31)9-11-19/h4-7,18-20,31H,8-12H2,1-3H3/t18?,19?,20-/m0/s1
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Tensha Therapeutics, Inc.

US Patent




US Patent US10124009 (2018)


BindingDB Entry DOI: 10.7270/Q26975MC
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM298346
PNG
(US10124009, Compound 1)
Show SMILES Cc1sc-2c(c1C)C(=N[C@@H](CC(=O)OC1CCC(O)CC1)c1nnc(C)n-21)c1ccc(Cl)cc1 |r,wD:9.10,c:8,(-6.28,-3.66,;-5.38,-2.42,;-5.85,-.95,;-4.61,-.05,;-3.36,-.95,;-3.84,-2.42,;-2.93,-3.66,;-1.88,-.54,;-1.27,.87,;-2,2.23,;-1.23,3.56,;.31,3.56,;1.08,4.9,;1.08,2.23,;2.62,2.23,;3.39,.9,;4.93,.9,;5.7,2.23,;7.24,2.23,;4.93,3.56,;3.39,3.56,;-3.52,2.51,;-4.16,3.9,;-5.69,3.72,;-5.99,2.21,;-7.39,1.56,;-4.64,1.46,;-.79,-1.63,;-1.18,-3.12,;-.1,-4.21,;1.39,-3.81,;2.48,-4.9,;1.79,-2.32,;.7,-1.23,)|
Show InChI InChI=1S/C25H27ClN4O3S/c1-13-14(2)34-25-22(13)23(16-4-6-17(26)7-5-16)27-20(24-29-28-15(3)30(24)25)12-21(32)33-19-10-8-18(31)9-11-19/h4-7,18-20,31H,8-12H2,1-3H3/t18?,19?,20-/m0/s1
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Tensha Therapeutics, Inc.

US Patent


Assay Description
A BROMOscan binding assay was utilized to test the in vitro binding activity of (S)-Compounds 1, 2, 3, 4, 5 and 7 to the first and second bromodomain...


US Patent US10124009 (2018)


BindingDB Entry DOI: 10.7270/Q26975MC
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50365262
PNG
((+)-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
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n/an/an/a 3.60E+3n/an/an/an/an/a



Tensha Therapeutics, Inc.

US Patent


Assay Description
A BROMOscan binding assay was utilized to test the in vitro binding activity of (S)-Compounds 1, 2, 3, 4, 5 and 7 to the first and second bromodomain...


US Patent US10124009 (2018)


BindingDB Entry DOI: 10.7270/Q26975MC
More data for this
Ligand-Target Pair
Isoform C of Bromodomain-containing protein 4 (Short)


(Homo sapiens (Human))
BDBM50365262
PNG
((+)-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
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n/an/an/a 3.80E+3n/an/an/an/an/a



Tensha Therapeutics, Inc.

US Patent




US Patent US10124009 (2018)


BindingDB Entry DOI: 10.7270/Q26975MC
More data for this
Ligand-Target Pair