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BDBM249284 US10017501, Compound 1020-72::US9458145, 1020-72

SMILES: Cc1n[nH]c(C)c1-c1cc(cc2nc(C3CC3)n(C)c12)-c1c(C)noc1C

InChI Key: InChIKey=QNBJGCLVDFUBMZ-UHFFFAOYSA-N

Data: 5 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 249284   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Bromodomain-containing protein 4 Bromo 1 domain(BRD4 BD1)


(Homo sapiens (Human))
BDBM249284
PNG
(US10017501, Compound 1020-72 | US9458145, 1020-72)
Show SMILES Cc1n[nH]c(C)c1-c1cc(cc2nc(C3CC3)n(C)c12)-c1c(C)noc1C |(4.36,.59,;3.59,-.75,;4.5,-1.99,;3.59,-3.24,;2.13,-2.76,;.79,-3.53,;2.13,-1.22,;.79,-.45,;.79,1.09,;-.54,1.86,;-1.87,1.09,;-1.87,-.45,;-3.02,-1.48,;-2.39,-2.89,;-3.16,-4.23,;-4.5,-5,;-3.16,-5.77,;-.86,-2.73,;.23,-3.82,;-.54,-1.22,;-.54,3.4,;-1.79,4.3,;-3.12,3.53,;-1.31,5.77,;.23,5.77,;.71,4.3,;2.04,3.53,)|
Show InChI InChI=1S/C21H23N5O/c1-10-18(11(2)24-23-10)16-8-15(19-12(3)25-27-13(19)4)9-17-20(16)26(5)21(22-17)14-6-7-14/h8-9,14H,6-7H2,1-5H3,(H,23,24)
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 101n/an/an/an/a7.525



Gilead Sciences, Inc.

US Patent


Assay Description
Binding of the two tandem bromodomains, BRD4-1 and BRD4-2, to an acetylated histone H4 peptide was measured using a homogeneous time resolved fluores...


US Patent US9458145 (2016)


BindingDB Entry DOI: 10.7270/Q26Q1W53
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 Bromo 2 domain(BRD4 BD2)


(Homo sapiens (Human))
BDBM249284
PNG
(US10017501, Compound 1020-72 | US9458145, 1020-72)
Show SMILES Cc1n[nH]c(C)c1-c1cc(cc2nc(C3CC3)n(C)c12)-c1c(C)noc1C |(4.36,.59,;3.59,-.75,;4.5,-1.99,;3.59,-3.24,;2.13,-2.76,;.79,-3.53,;2.13,-1.22,;.79,-.45,;.79,1.09,;-.54,1.86,;-1.87,1.09,;-1.87,-.45,;-3.02,-1.48,;-2.39,-2.89,;-3.16,-4.23,;-4.5,-5,;-3.16,-5.77,;-.86,-2.73,;.23,-3.82,;-.54,-1.22,;-.54,3.4,;-1.79,4.3,;-3.12,3.53,;-1.31,5.77,;.23,5.77,;.71,4.3,;2.04,3.53,)|
Show InChI InChI=1S/C21H23N5O/c1-10-18(11(2)24-23-10)16-8-15(19-12(3)25-27-13(19)4)9-17-20(16)26(5)21(22-17)14-6-7-14/h8-9,14H,6-7H2,1-5H3,(H,23,24)
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 69.1n/an/an/an/a7.525



Gilead Sciences, Inc.

US Patent


Assay Description
Binding of the two tandem bromodomains, BRD4-1 and BRD4-2, to an acetylated histone H4 peptide was measured using a homogeneous time resolved fluores...


US Patent US9458145 (2016)


BindingDB Entry DOI: 10.7270/Q26Q1W53
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 Bromo 2 domain(BRD4 BD2)


(Homo sapiens (Human))
BDBM249284
PNG
(US10017501, Compound 1020-72 | US9458145, 1020-72)
Show SMILES Cc1n[nH]c(C)c1-c1cc(cc2nc(C3CC3)n(C)c12)-c1c(C)noc1C |(4.36,.59,;3.59,-.75,;4.5,-1.99,;3.59,-3.24,;2.13,-2.76,;.79,-3.53,;2.13,-1.22,;.79,-.45,;.79,1.09,;-.54,1.86,;-1.87,1.09,;-1.87,-.45,;-3.02,-1.48,;-2.39,-2.89,;-3.16,-4.23,;-4.5,-5,;-3.16,-5.77,;-.86,-2.73,;.23,-3.82,;-.54,-1.22,;-.54,3.4,;-1.79,4.3,;-3.12,3.53,;-1.31,5.77,;.23,5.77,;.71,4.3,;2.04,3.53,)|
Show InChI InChI=1S/C21H23N5O/c1-10-18(11(2)24-23-10)16-8-15(19-12(3)25-27-13(19)4)9-17-20(16)26(5)21(22-17)14-6-7-14/h8-9,14H,6-7H2,1-5H3,(H,23,24)
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 69.1n/an/an/an/an/an/a



Gilead Sciences Inc

US Patent


Assay Description
Binding of the two tandem bromodomains, BRD4-1 and BRD4-2, to an acetylated histone H4 peptide was measured using a homogeneous time resolved fluores...


US Patent US10017501 (2018)


BindingDB Entry DOI: 10.7270/Q2CV4M3Z
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 Bromo 1 domain(BRD4 BD1)


(Homo sapiens (Human))
BDBM249284
PNG
(US10017501, Compound 1020-72 | US9458145, 1020-72)
Show SMILES Cc1n[nH]c(C)c1-c1cc(cc2nc(C3CC3)n(C)c12)-c1c(C)noc1C |(4.36,.59,;3.59,-.75,;4.5,-1.99,;3.59,-3.24,;2.13,-2.76,;.79,-3.53,;2.13,-1.22,;.79,-.45,;.79,1.09,;-.54,1.86,;-1.87,1.09,;-1.87,-.45,;-3.02,-1.48,;-2.39,-2.89,;-3.16,-4.23,;-4.5,-5,;-3.16,-5.77,;-.86,-2.73,;.23,-3.82,;-.54,-1.22,;-.54,3.4,;-1.79,4.3,;-3.12,3.53,;-1.31,5.77,;.23,5.77,;.71,4.3,;2.04,3.53,)|
Show InChI InChI=1S/C21H23N5O/c1-10-18(11(2)24-23-10)16-8-15(19-12(3)25-27-13(19)4)9-17-20(16)26(5)21(22-17)14-6-7-14/h8-9,14H,6-7H2,1-5H3,(H,23,24)
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 101n/an/an/an/an/an/a



Gilead Sciences Inc

US Patent


Assay Description
Binding of the two tandem bromodomains, BRD4-1 and BRD4-2, to an acetylated histone H4 peptide was measured using a homogeneous time resolved fluores...


US Patent US10017501 (2018)


BindingDB Entry DOI: 10.7270/Q2CV4M3Z
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 Bromo 1 domain(BRD4 BD1)


(Homo sapiens (Human))
BDBM249284
PNG
(US10017501, Compound 1020-72 | US9458145, 1020-72)
Show SMILES Cc1n[nH]c(C)c1-c1cc(cc2nc(C3CC3)n(C)c12)-c1c(C)noc1C |(4.36,.59,;3.59,-.75,;4.5,-1.99,;3.59,-3.24,;2.13,-2.76,;.79,-3.53,;2.13,-1.22,;.79,-.45,;.79,1.09,;-.54,1.86,;-1.87,1.09,;-1.87,-.45,;-3.02,-1.48,;-2.39,-2.89,;-3.16,-4.23,;-4.5,-5,;-3.16,-5.77,;-.86,-2.73,;.23,-3.82,;-.54,-1.22,;-.54,3.4,;-1.79,4.3,;-3.12,3.53,;-1.31,5.77,;.23,5.77,;.71,4.3,;2.04,3.53,)|
Show InChI InChI=1S/C21H23N5O/c1-10-18(11(2)24-23-10)16-8-15(19-12(3)25-27-13(19)4)9-17-20(16)26(5)21(22-17)14-6-7-14/h8-9,14H,6-7H2,1-5H3,(H,23,24)
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 12.3n/an/an/an/a7.525



Gilead Sciences, Inc.

US Patent


Assay Description
Binding of the bromodomain BRD4-I to an acetylated histone H4 peptide was measured using a bead-based Amplified Luminescent Proximity Homogeneous Ass...


US Patent US9458145 (2016)


BindingDB Entry DOI: 10.7270/Q26Q1W53
More data for this
Ligand-Target Pair