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Patent code US9695179

Compile Data Set for Download or QSAR
Found 17 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
BRD4-BD1-BD2


(Homo sapiens (Human))
BDBM107635
PNG
(US9695179, 1)
Show SMILES Clc1ccc2[nH]c(=O)c(C(=O)\C=C\c3ccccc3)c(-c3ccccc3)c2c1
Show InChI InChI=1S/C24H16ClNO2/c25-18-12-13-20-19(15-18)22(17-9-5-2-6-10-17)23(24(28)26-20)21(27)14-11-16-7-3-1-4-8-16/h1-15H,(H,26,28)/b14-11+
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.43E+3n/an/an/an/an/an/a



ConverGene LLC

US Patent


Assay Description
The interactions between test compounds and BRD4 protein containing both bromodomain 1 and bromodomain 2 were measured with human BRD4 protein with N...


Citation and Details
More data for this
Ligand-Target Pair
BRD4-BD1-BD2


(Homo sapiens (Human))
BDBM111137
PNG
(US9695179, 132)
Show SMILES Cc1ccc(cc1)-c1nnc(Sc2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)n1N
Show InChI InChI=1S/C24H18ClN5OS/c1-14-7-9-16(10-8-14)22-28-29-24(30(22)26)32-21-20(15-5-3-2-4-6-15)18-13-17(25)11-12-19(18)27-23(21)31/h2-13H,26H2,1H3,(H,27,31)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.70E+3n/an/an/an/an/an/a



ConverGene LLC

US Patent


Assay Description
The interactions between test compounds and BRD4 protein containing both bromodomain 1 and bromodomain 2 were measured with human BRD4 protein with N...


Citation and Details
More data for this
Ligand-Target Pair
BRD4-BD1-BD2


(Homo sapiens (Human))
BDBM111102
PNG
(US9695179, 97)
Show SMILES Clc1ccc2[nH]c(=O)c(Sc3nnc(-c4cccs4)n3CC=C)c(-c3ccccc3)c2c1
Show InChI InChI=1S/C24H17ClN4OS2/c1-2-12-29-22(19-9-6-13-31-19)27-28-24(29)32-21-20(15-7-4-3-5-8-15)17-14-16(25)10-11-18(17)26-23(21)30/h2-11,13-14H,1,12H2,(H,26,30)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5.80E+3n/an/an/an/an/an/a



ConverGene LLC

US Patent


Assay Description
The interactions between test compounds and BRD4 protein containing both bromodomain 1 and bromodomain 2 were measured with human BRD4 protein with N...


Citation and Details
More data for this
Ligand-Target Pair
BRD4-BD1-BD2


(Homo sapiens (Human))
BDBM111103
PNG
(US9695179, 98)
Show SMILES COc1ccc(cc1)-c1cc(=O)[nH]c(Sc2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)n1
Show InChI InChI=1S/C26H18ClN3O3S/c1-33-18-10-7-15(8-11-18)21-14-22(31)30-26(29-21)34-24-23(16-5-3-2-4-6-16)19-13-17(27)9-12-20(19)28-25(24)32/h2-14H,1H3,(H,28,32)(H,29,30,31)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 6.70E+3n/an/an/an/an/an/a



ConverGene LLC

US Patent


Assay Description
The interactions between test compounds and BRD4 protein containing both bromodomain 1 and bromodomain 2 were measured with human BRD4 protein with N...


Citation and Details
More data for this
Ligand-Target Pair
BRD4-BD1-BD2


(Homo sapiens (Human))
BDBM111126
PNG
(US9695179, 121)
Show SMILES Clc1ccc2[nH]c(=O)c(SC(=S)N3CCOCC3)c(-c3ccccc3)c2c1
Show InChI InChI=1S/C20H17ClN2O2S2/c21-14-6-7-16-15(12-14)17(13-4-2-1-3-5-13)18(19(24)22-16)27-20(26)23-8-10-25-11-9-23/h1-7,12H,8-11H2,(H,22,24)
PDB

UniProtKB/SwissProt
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GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 7.30E+3n/an/an/an/an/an/a



ConverGene LLC

US Patent


Assay Description
The interactions between test compounds and BRD4 protein containing both bromodomain 1 and bromodomain 2 were measured with human BRD4 protein with N...


Citation and Details
More data for this
Ligand-Target Pair
BRD4-BD1-BD2


(Homo sapiens (Human))
BDBM111094
PNG
(US9695179, 90)
Show SMILES Cc1noc(C)c1-c1ccc2[nH]c(=O)c(C(=O)\C=C\c3ccccc3)c(-c3cccnc3)c2c1
Show InChI InChI=1S/C28H21N3O3/c1-17-25(18(2)34-31-17)20-11-12-23-22(15-20)26(21-9-6-14-29-16-21)27(28(33)30-23)24(32)13-10-19-7-4-3-5-8-19/h3-16H,1-2H3,(H,30,33)/b13-10+
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.12E+4n/an/an/an/an/an/a



ConverGene LLC

US Patent


Assay Description
The interactions between test compounds and BRD4 protein containing both bromodomain 1 and bromodomain 2 were measured with human BRD4 protein with N...


Citation and Details
More data for this
Ligand-Target Pair
BRD4-BD1-BD2


(Homo sapiens (Human))
BDBM111133
PNG
(US9695179, 128)
Show SMILES CNC(=S)N1N=C(CC1c1ccccc1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O
Show InChI InChI=1S/C26H21ClN4OS/c1-28-26(33)31-22(16-8-4-2-5-9-16)15-21(30-31)24-23(17-10-6-3-7-11-17)19-14-18(27)12-13-20(19)29-25(24)32/h2-14,22H,15H2,1H3,(H,28,33)(H,29,32)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.63E+4n/an/an/an/an/an/a



ConverGene LLC

US Patent


Assay Description
The interactions between test compounds and BRD4 protein containing both bromodomain 1 and bromodomain 2 were measured with human BRD4 protein with N...


Citation and Details
More data for this
Ligand-Target Pair
BRD4-BD1-BD2


(Homo sapiens (Human))
BDBM111129
PNG
(US9695179, 124)
Show SMILES Clc1ccc2c(-c3ccccc3)c(Sc3nc4ccccc4s3)c(=O)[nH]c2c1
Show InChI InChI=1S/C22H13ClN2OS2/c23-14-10-11-15-17(12-14)24-21(26)20(19(15)13-6-2-1-3-7-13)28-22-25-16-8-4-5-9-18(16)27-22/h1-12H,(H,24,26)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.73E+4n/an/an/an/an/an/a



ConverGene LLC

US Patent


Assay Description
The interactions between test compounds and BRD4 protein containing both bromodomain 1 and bromodomain 2 were measured with human BRD4 protein with N...


Citation and Details
More data for this
Ligand-Target Pair
BRD4-BD1-BD2


(Homo sapiens (Human))
BDBM111131
PNG
(US9695179, 126)
Show SMILES CSc1nsc(Sc2c(-c3ccccc3)c3ccc(Cl)cc3[nH]c2=O)n1
Show InChI InChI=1S/C18H12ClN3OS3/c1-24-17-21-18(26-22-17)25-15-14(10-5-3-2-4-6-10)12-8-7-11(19)9-13(12)20-16(15)23/h2-9H,1H3,(H,20,23)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.36E+4n/an/an/an/an/an/a



ConverGene LLC

US Patent


Assay Description
The interactions between test compounds and BRD4 protein containing both bromodomain 1 and bromodomain 2 were measured with human BRD4 protein with N...


Citation and Details
More data for this
Ligand-Target Pair
BRD4-BD1-BD2


(Homo sapiens (Human))
BDBM89915
PNG
((6-chloranyl-2-oxidanylidene-4-phenyl-1H-quinolin-...)
Show SMILES CCN(CC)C(=S)Sc1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O
Show InChI InChI=1S/C20H19ClN2OS2/c1-3-23(4-2)20(25)26-18-17(13-8-6-5-7-9-13)15-12-14(21)10-11-16(15)22-19(18)24/h5-12H,3-4H2,1-2H3,(H,22,24)
PDB

UniProtKB/SwissProt
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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.68E+4n/an/an/an/an/an/a



ConverGene LLC

US Patent


Assay Description
The interactions between test compounds and BRD4 protein containing both bromodomain 1 and bromodomain 2 were measured with human BRD4 protein with N...


Citation and Details
More data for this
Ligand-Target Pair
BRD4-BD1-BD2


(Homo sapiens (Human))
BDBM111090
PNG
(US9695179, 87)
Show SMILES COc1ccc(Cn2c3ccc(Cl)cc3c(OS(=O)(=O)c3ccc4ccccc4c3)c(-c3coc(C)n3)c2=O)cc1
Show InChI InChI=1S/C31H23ClN2O6S/c1-19-33-27(18-39-19)29-30(40-41(36,37)25-13-9-21-5-3-4-6-22(21)15-25)26-16-23(32)10-14-28(26)34(31(29)35)17-20-7-11-24(38-2)12-8-20/h3-16,18H,17H2,1-2H3
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.39E+5n/an/an/an/an/an/a



ConverGene LLC

US Patent


Assay Description
The interactions between test compounds and BRD4 protein containing both bromodomain 1 and bromodomain 2 were measured with human BRD4 protein with N...


Citation and Details
More data for this
Ligand-Target Pair
BRD4-BD1-BD2


(Homo sapiens (Human))
BDBM111087
PNG
(US9695179, 84)
Show SMILES COc1ccc(Cn2c3ccc(Cl)cc3c(OS(=O)(=O)c3ccccc3)c(-c3coc(C)n3)c2=O)cc1
Show InChI InChI=1S/C27H21ClN2O6S/c1-17-29-23(16-35-17)25-26(36-37(32,33)21-6-4-3-5-7-21)22-14-19(28)10-13-24(22)30(27(25)31)15-18-8-11-20(34-2)12-9-18/h3-14,16H,15H2,1-2H3
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.72E+5n/an/an/an/an/an/a



ConverGene LLC

US Patent


Assay Description
The interactions between test compounds and BRD4 protein containing both bromodomain 1 and bromodomain 2 were measured with human BRD4 protein with N...


Citation and Details
More data for this
Ligand-Target Pair
BRD4-BD1-BD2


(Homo sapiens (Human))
BDBM111086
PNG
(US9695179, 83)
Show SMILES COc1ccc(Cn2c3ccc(Cl)cc3c(OS(=O)(=O)c3ccc(C)cc3)c(-c3coc(C)n3)c2=O)cc1
Show InChI InChI=1S/C28H23ClN2O6S/c1-17-4-11-22(12-5-17)38(33,34)37-27-23-14-20(29)8-13-25(23)31(15-19-6-9-21(35-3)10-7-19)28(32)26(27)24-16-36-18(2)30-24/h4-14,16H,15H2,1-3H3
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4.42E+5n/an/an/an/an/an/a



ConverGene LLC

US Patent


Assay Description
The interactions between test compounds and BRD4 protein containing both bromodomain 1 and bromodomain 2 were measured with human BRD4 protein with N...


Citation and Details
More data for this
Ligand-Target Pair
BRD4-BD1-BD2


(Homo sapiens (Human))
BDBM111093
PNG
(US9695179, 89)
Show SMILES COc1ccc(Cn2c3ccc(Cl)cc3c(OS(=O)(=O)c3ccc(cc3)-c3ccccc3)c(-c3coc(C)n3)c2=O)cc1
Show InChI InChI=1S/C33H25ClN2O6S/c1-21-35-29(20-41-21)31-32(42-43(38,39)27-15-10-24(11-16-27)23-6-4-3-5-7-23)28-18-25(34)12-17-30(28)36(33(31)37)19-22-8-13-26(40-2)14-9-22/h3-18,20H,19H2,1-2H3
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5.86E+5n/an/an/an/an/an/a



ConverGene LLC

US Patent


Assay Description
The interactions between test compounds and BRD4 protein containing both bromodomain 1 and bromodomain 2 were measured with human BRD4 protein with N...


Citation and Details
More data for this
Ligand-Target Pair
BRD4-BD1-BD2


(Homo sapiens (Human))
BDBM111089
PNG
(US9695179, 86)
Show SMILES COc1ccc(Cn2c3ccc(Cl)cc3c(OS(=O)(=O)c3ccc(Cl)cc3)c(-c3coc(C)n3)c2=O)cc1
Show InChI InChI=1S/C27H20Cl2N2O6S/c1-16-30-23(15-36-16)25-26(37-38(33,34)21-10-5-18(28)6-11-21)22-13-19(29)7-12-24(22)31(27(25)32)14-17-3-8-20(35-2)9-4-17/h3-13,15H,14H2,1-2H3
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 6.70E+5n/an/an/an/an/an/a



ConverGene LLC

US Patent


Assay Description
The interactions between test compounds and BRD4 protein containing both bromodomain 1 and bromodomain 2 were measured with human BRD4 protein with N...


Citation and Details
More data for this
Ligand-Target Pair
BRD4-BD1-BD2


(Homo sapiens (Human))
BDBM111092
PNG
(US9695179, 88)
Show SMILES COc1ccc(Cn2c3ccc(Cl)cc3c(OS(=O)(=O)c3cccc4cccnc34)c(-c3coc(C)n3)c2=O)cc1
Show InChI InChI=1S/C30H22ClN3O6S/c1-18-33-24(17-39-18)27-29(40-41(36,37)26-7-3-5-20-6-4-14-32-28(20)26)23-15-21(31)10-13-25(23)34(30(27)35)16-19-8-11-22(38-2)12-9-19/h3-15,17H,16H2,1-2H3
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 8.64E+5n/an/an/an/an/an/a



ConverGene LLC

US Patent


Assay Description
The interactions between test compounds and BRD4 protein containing both bromodomain 1 and bromodomain 2 were measured with human BRD4 protein with N...


Citation and Details
More data for this
Ligand-Target Pair
BRD4-BD1-BD2


(Homo sapiens (Human))
BDBM111088
PNG
(US9695179, 85)
Show SMILES COc1ccc(Cn2c3ccc(Cl)cc3c(OS(=O)(=O)c3ccc(F)cc3)c(-c3coc(C)n3)c2=O)cc1
Show InChI InChI=1S/C27H20ClFN2O6S/c1-16-30-23(15-36-16)25-26(37-38(33,34)21-10-6-19(29)7-11-21)22-13-18(28)5-12-24(22)31(27(25)32)14-17-3-8-20(35-2)9-4-17/h3-13,15H,14H2,1-2H3
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 8.76E+5n/an/an/an/an/an/a



ConverGene LLC

US Patent


Assay Description
The interactions between test compounds and BRD4 protein containing both bromodomain 1 and bromodomain 2 were measured with human BRD4 protein with N...


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