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SMILES: CC\C=C(/CC)c1cc(cc2nc([nH]c12)C1CC1)-c1c(C)noc1C

InChI Key: InChIKey=FIDCRXXEFWLWFD-VGOFMYFVSA-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 = 249279   
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 [75-147]


(Homo sapiens (Human))
BDBM249279
PNG
(US10017501, Compound 1020-28 | US9458145, 1020-28)
Show SMILES CC\C=C(/CC)c1cc(cc2nc([nH]c12)C1CC1)-c1c(C)noc1C
Show InChI InChI=1S/C21H25N3O/c1-5-7-14(6-2)17-10-16(19-12(3)24-25-13(19)4)11-18-20(17)23-21(22-18)15-8-9-15/h7,10-11,15H,5-6,8-9H2,1-4H3,(H,22,23)/b14-7+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 71.8n/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 [368-440]


(Homo sapiens (Human))
BDBM249279
PNG
(US10017501, Compound 1020-28 | US9458145, 1020-28)
Show SMILES CC\C=C(/CC)c1cc(cc2nc([nH]c12)C1CC1)-c1c(C)noc1C
Show InChI InChI=1S/C21H25N3O/c1-5-7-14(6-2)17-10-16(19-12(3)24-25-13(19)4)11-18-20(17)23-21(22-18)15-8-9-15/h7,10-11,15H,5-6,8-9H2,1-4H3,(H,22,23)/b14-7+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 65.5n/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 [368-440]


(Homo sapiens (Human))
BDBM249279
PNG
(US10017501, Compound 1020-28 | US9458145, 1020-28)
Show SMILES CC\C=C(/CC)c1cc(cc2nc([nH]c12)C1CC1)-c1c(C)noc1C
Show InChI InChI=1S/C21H25N3O/c1-5-7-14(6-2)17-10-16(19-12(3)24-25-13(19)4)11-18-20(17)23-21(22-18)15-8-9-15/h7,10-11,15H,5-6,8-9H2,1-4H3,(H,22,23)/b14-7+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 65.5n/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))
BDBM249279
PNG
(US10017501, Compound 1020-28 | US9458145, 1020-28)
Show SMILES CC\C=C(/CC)c1cc(cc2nc([nH]c12)C1CC1)-c1c(C)noc1C
Show InChI InChI=1S/C21H25N3O/c1-5-7-14(6-2)17-10-16(19-12(3)24-25-13(19)4)11-18-20(17)23-21(22-18)15-8-9-15/h7,10-11,15H,5-6,8-9H2,1-4H3,(H,22,23)/b14-7+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 71.8n/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))
BDBM249279
PNG
(US10017501, Compound 1020-28 | US9458145, 1020-28)
Show SMILES CC\C=C(/CC)c1cc(cc2nc([nH]c12)C1CC1)-c1c(C)noc1C
Show InChI InChI=1S/C21H25N3O/c1-5-7-14(6-2)17-10-16(19-12(3)24-25-13(19)4)11-18-20(17)23-21(22-18)15-8-9-15/h7,10-11,15H,5-6,8-9H2,1-4H3,(H,22,23)/b14-7+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 18.1n/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