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Patent code US9493483

Compile Data Set for Download or QSAR
Found 6 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 Bromo Domain 1


(Homo sapiens (Human))
BDBM254914
PNG
(US9493483, 402)
Show SMILES CN(C)C(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(ccc2-c2c(C)noc12)-c1cnn(C)c1
Show InChI InChI=1S/C26H24ClN5O2/c1-15-24-20-10-7-17(18-13-28-32(4)14-18)11-21(20)25(16-5-8-19(27)9-6-16)29-22(26(24)34-30-15)12-23(33)31(2)3/h5-11,13-14,22H,12H2,1-4H3/t22-/m0/s1
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 13n/an/an/an/an/an/a



Constellation Pharmaceuticals, Inc.

US Patent


Assay Description
His/Flag epitope tagged BRD4 BD142-168 was cloned, expressed and purified to homogeneity. BRD4 binding and inhibition was assessed by monitoring the ...


Citation and Details
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 Bromo Domain 1


(Homo sapiens (Human))
BDBM50158612
PNG
(CHEMBL3787075 | US9493483, 401)
Show SMILES Cc1noc2[C@H](CC(N)=O)N=C(c3ccc(Cl)cc3)c3cc(ccc3-c12)-c1cnn(C)c1
Show InChI InChI=1S/C24H20ClN5O2/c1-13-22-18-8-5-15(16-11-27-30(2)12-16)9-19(18)23(14-3-6-17(25)7-4-14)28-20(10-21(26)31)24(22)32-29-13/h3-9,11-12,20H,10H2,1-2H3,(H2,26,31)/t20-/m0/s1
PDB

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PC sid
UniChem

Similars

US Patent
n/an/a 14n/an/an/an/an/an/a



Constellation Pharmaceuticals, Inc.

US Patent


Assay Description
His/Flag epitope tagged BRD4 BD142-168 was cloned, expressed and purified to homogeneity. BRD4 binding and inhibition was assessed by monitoring the ...


Citation and Details
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 Bromo Domain 1


(Homo sapiens (Human))
BDBM50158612
PNG
(CHEMBL3787075 | US9493483, 401)
Show SMILES Cc1noc2[C@H](CC(N)=O)N=C(c3ccc(Cl)cc3)c3cc(ccc3-c12)-c1cnn(C)c1
Show InChI InChI=1S/C24H20ClN5O2/c1-13-22-18-8-5-15(16-11-27-30(2)12-16)9-19(18)23(14-3-6-17(25)7-4-14)28-20(10-21(26)31)24(22)32-29-13/h3-9,11-12,20H,10H2,1-2H3,(H2,26,31)/t20-/m0/s1
PDB

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 18n/an/an/an/an/an/a



Constellation Pharmaceuticals, Inc.

US Patent


Assay Description
His/Flag epitope tagged BRD4 BD142-168 was cloned, expressed and purified to homogeneity. BRD4 binding and inhibition was assessed by monitoring the ...


Citation and Details
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 Bromo Domain 1


(Homo sapiens (Human))
BDBM254915
PNG
(US9493483, 403)
Show SMILES Cc1noc2[C@H](CC(N)=O)N=C(c3ccc(Cl)cc3)c3cc(ccc3-c12)-c1ccc(C)nc1
Show InChI InChI=1S/C26H21ClN4O2/c1-14-3-4-18(13-29-14)17-7-10-20-21(11-17)25(16-5-8-19(27)9-6-16)30-22(12-23(28)32)26-24(20)15(2)31-33-26/h3-11,13,22H,12H2,1-2H3,(H2,28,32)/t22-/m0/s1
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 28n/an/an/an/an/an/a



Constellation Pharmaceuticals, Inc.

US Patent


Assay Description
His/Flag epitope tagged BRD4 BD142-168 was cloned, expressed and purified to homogeneity. BRD4 binding and inhibition was assessed by monitoring the ...


Citation and Details
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 Bromo Domain 1


(Homo sapiens (Human))
BDBM254917
PNG
(US9493483, 405)
Show SMILES Cc1noc2[C@H](CC(O)=O)N=C(c3ccc(Cl)cc3)c3cc(ccc3-c12)-c1cnn(C)c1
Show InChI InChI=1S/C24H19ClN4O3/c1-13-22-18-8-5-15(16-11-26-29(2)12-16)9-19(18)23(14-3-6-17(25)7-4-14)27-20(10-21(30)31)24(22)32-28-13/h3-9,11-12,20H,10H2,1-2H3,(H,30,31)/t20-/m0/s1
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 175n/an/an/an/an/an/a



Constellation Pharmaceuticals, Inc.

US Patent


Assay Description
His/Flag epitope tagged BRD4 BD142-168 was cloned, expressed and purified to homogeneity. BRD4 binding and inhibition was assessed by monitoring the ...


Citation and Details
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 Bromo Domain 1


(Homo sapiens (Human))
BDBM254916
PNG
(US9493483, 404)
Show SMILES Cc1noc(n1)-c1ccc2-c3c(C)noc3[C@H](CC(N)=O)N=C(c3ccc(Cl)cc3)c2c1
Show InChI InChI=1S/C23H18ClN5O3/c1-11-20-16-8-5-14(23-26-12(2)29-32-23)9-17(16)21(13-3-6-15(24)7-4-13)27-18(10-19(25)30)22(20)31-28-11/h3-9,18H,10H2,1-2H3,(H2,25,30)/t18-/m0/s1
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 270n/an/an/an/an/an/a



Constellation Pharmaceuticals, Inc.

US Patent


Assay Description
His/Flag epitope tagged BRD4 BD142-168 was cloned, expressed and purified to homogeneity. BRD4 binding and inhibition was assessed by monitoring the ...


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