BindingDB logo
myBDB logout

BDBM243262 US10053454, Example 6::US10196387, Example 6

SMILES: Cc1noc(C)c1-c1cc(C(N)=O)c2n(c3cc(ccc3c2c1)C(=O)N1CCC(CC1)C#N)S(C)(=O)=O

InChI Key: InChIKey=QHYFZUHCURODEP-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 243262   
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


(Homo sapiens (Human))
BDBM243262
PNG
(US10053454, Example 6 | US10196387, Example 6)
Show SMILES Cc1noc(C)c1-c1cc(C(N)=O)c2n(c3cc(ccc3c2c1)C(=O)N1CCC(CC1)C#N)S(C)(=O)=O
Show InChI InChI=1S/C26H25N5O5S/c1-14-23(15(2)36-29-14)18-10-20-19-5-4-17(26(33)30-8-6-16(13-27)7-9-30)12-22(19)31(37(3,34)35)24(20)21(11-18)25(28)32/h4-5,10-12,16H,6-9H2,1-3H3,(H2,28,32)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a<50n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US10053454 (2018)


Article DOI: 10.1021/jm0303406
BindingDB Entry DOI: 10.7270/Q2C24ZFN
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243262
PNG
(US10053454, Example 6 | US10196387, Example 6)
Show SMILES Cc1noc(C)c1-c1cc(C(N)=O)c2n(c3cc(ccc3c2c1)C(=O)N1CCC(CC1)C#N)S(C)(=O)=O
Show InChI InChI=1S/C26H25N5O5S/c1-14-23(15(2)36-29-14)18-10-20-19-5-4-17(26(33)30-8-6-16(13-27)7-9-30)12-22(19)31(37(3,34)35)24(20)21(11-18)25(28)32/h4-5,10-12,16H,6-9H2,1-3H3,(H2,28,32)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a<50n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US10196387 (2019)


Article DOI: 10.1021/jm0497949
BindingDB Entry DOI: 10.7270/Q26112DD
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243262
PNG
(US10053454, Example 6 | US10196387, Example 6)
Show SMILES Cc1noc(C)c1-c1cc(C(N)=O)c2n(c3cc(ccc3c2c1)C(=O)N1CCC(CC1)C#N)S(C)(=O)=O
Show InChI InChI=1S/C26H25N5O5S/c1-14-23(15(2)36-29-14)18-10-20-19-5-4-17(26(33)30-8-6-16(13-27)7-9-30)12-22(19)31(37(3,34)35)24(20)21(11-18)25(28)32/h4-5,10-12,16H,6-9H2,1-3H3,(H2,28,32)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a<50n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US10196387 (2019)


Article DOI: 10.1021/jm060777o
BindingDB Entry DOI: 10.7270/Q29S1T30
More data for this
Ligand-Target Pair