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SMILES: Cc1noc(C)c1-c1cc(-c2c(C)ccnc2C)c2[nH]c(nc2c1)C1CC1

InChI Key: InChIKey=PMNSTIGCGOIMNI-UHFFFAOYSA-N

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 = 249283   
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 [368-440]


(Homo sapiens (Human))
BDBM249283
PNG
(US10017501, Compound 1020-57 | US9458145, 1020-57)
Show SMILES Cc1noc(C)c1-c1cc(-c2c(C)ccnc2C)c2[nH]c(nc2c1)C1CC1 |(1.89,3.53,;.56,4.3,;.08,5.77,;-1.46,5.77,;-1.94,4.3,;-3.27,3.53,;-.69,3.4,;-.69,1.86,;.64,1.09,;.64,-.45,;1.98,-1.22,;1.98,-2.76,;.64,-3.53,;3.31,-3.53,;4.65,-2.76,;4.65,-1.22,;3.31,-.45,;3.31,1.09,;-.69,-1.22,;-1.01,-2.73,;-2.54,-2.89,;-3.17,-1.48,;-2.02,-.45,;-2.02,1.09,;-3.31,-4.23,;-4.65,-5,;-3.31,-5.77,)|
Show InChI InChI=1S/C22H22N4O/c1-11-7-8-23-12(2)19(11)17-9-16(20-13(3)26-27-14(20)4)10-18-21(17)25-22(24-18)15-5-6-15/h7-10,15H,5-6H2,1-4H3,(H,24,25)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 54.4n/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 [75-147]


(Homo sapiens (Human))
BDBM249283
PNG
(US10017501, Compound 1020-57 | US9458145, 1020-57)
Show SMILES Cc1noc(C)c1-c1cc(-c2c(C)ccnc2C)c2[nH]c(nc2c1)C1CC1 |(1.89,3.53,;.56,4.3,;.08,5.77,;-1.46,5.77,;-1.94,4.3,;-3.27,3.53,;-.69,3.4,;-.69,1.86,;.64,1.09,;.64,-.45,;1.98,-1.22,;1.98,-2.76,;.64,-3.53,;3.31,-3.53,;4.65,-2.76,;4.65,-1.22,;3.31,-.45,;3.31,1.09,;-.69,-1.22,;-1.01,-2.73,;-2.54,-2.89,;-3.17,-1.48,;-2.02,-.45,;-2.02,1.09,;-3.31,-4.23,;-4.65,-5,;-3.31,-5.77,)|
Show InChI InChI=1S/C22H22N4O/c1-11-7-8-23-12(2)19(11)17-9-16(20-13(3)26-27-14(20)4)10-18-21(17)25-22(24-18)15-5-6-15/h7-10,15H,5-6H2,1-4H3,(H,24,25)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 22.6n/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
Bromodomain-containing protein 4 [368-440]


(Homo sapiens (Human))
BDBM249283
PNG
(US10017501, Compound 1020-57 | US9458145, 1020-57)
Show SMILES Cc1noc(C)c1-c1cc(-c2c(C)ccnc2C)c2[nH]c(nc2c1)C1CC1 |(1.89,3.53,;.56,4.3,;.08,5.77,;-1.46,5.77,;-1.94,4.3,;-3.27,3.53,;-.69,3.4,;-.69,1.86,;.64,1.09,;.64,-.45,;1.98,-1.22,;1.98,-2.76,;.64,-3.53,;3.31,-3.53,;4.65,-2.76,;4.65,-1.22,;3.31,-.45,;3.31,1.09,;-.69,-1.22,;-1.01,-2.73,;-2.54,-2.89,;-3.17,-1.48,;-2.02,-.45,;-2.02,1.09,;-3.31,-4.23,;-4.65,-5,;-3.31,-5.77,)|
Show InChI InChI=1S/C22H22N4O/c1-11-7-8-23-12(2)19(11)17-9-16(20-13(3)26-27-14(20)4)10-18-21(17)25-22(24-18)15-5-6-15/h7-10,15H,5-6H2,1-4H3,(H,24,25)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 54.4n/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 [75-147]


(Homo sapiens (Human))
BDBM249283
PNG
(US10017501, Compound 1020-57 | US9458145, 1020-57)
Show SMILES Cc1noc(C)c1-c1cc(-c2c(C)ccnc2C)c2[nH]c(nc2c1)C1CC1 |(1.89,3.53,;.56,4.3,;.08,5.77,;-1.46,5.77,;-1.94,4.3,;-3.27,3.53,;-.69,3.4,;-.69,1.86,;.64,1.09,;.64,-.45,;1.98,-1.22,;1.98,-2.76,;.64,-3.53,;3.31,-3.53,;4.65,-2.76,;4.65,-1.22,;3.31,-.45,;3.31,1.09,;-.69,-1.22,;-1.01,-2.73,;-2.54,-2.89,;-3.17,-1.48,;-2.02,-.45,;-2.02,1.09,;-3.31,-4.23,;-4.65,-5,;-3.31,-5.77,)|
Show InChI InChI=1S/C22H22N4O/c1-11-7-8-23-12(2)19(11)17-9-16(20-13(3)26-27-14(20)4)10-18-21(17)25-22(24-18)15-5-6-15/h7-10,15H,5-6H2,1-4H3,(H,24,25)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 109n/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 [75-147]


(Homo sapiens (Human))
BDBM249283
PNG
(US10017501, Compound 1020-57 | US9458145, 1020-57)
Show SMILES Cc1noc(C)c1-c1cc(-c2c(C)ccnc2C)c2[nH]c(nc2c1)C1CC1 |(1.89,3.53,;.56,4.3,;.08,5.77,;-1.46,5.77,;-1.94,4.3,;-3.27,3.53,;-.69,3.4,;-.69,1.86,;.64,1.09,;.64,-.45,;1.98,-1.22,;1.98,-2.76,;.64,-3.53,;3.31,-3.53,;4.65,-2.76,;4.65,-1.22,;3.31,-.45,;3.31,1.09,;-.69,-1.22,;-1.01,-2.73,;-2.54,-2.89,;-3.17,-1.48,;-2.02,-.45,;-2.02,1.09,;-3.31,-4.23,;-4.65,-5,;-3.31,-5.77,)|
Show InChI InChI=1S/C22H22N4O/c1-11-7-8-23-12(2)19(11)17-9-16(20-13(3)26-27-14(20)4)10-18-21(17)25-22(24-18)15-5-6-15/h7-10,15H,5-6H2,1-4H3,(H,24,25)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 109n/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