BindingDB logo
myBDB logout

null

SMILES: CC(C)N(C)c1ncc(c2n([C@@H](C3CCOCC3)c3ccccc3)c3cc(cnc3c12)-c1c(C)nnn1C)S(C)(=O)=O

InChI Key: InChIKey=JPOHSHUCACMYNW-GDLZYMKVSA-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 1 hit for monomerid = 331282   
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 [1-477]/[333-460]/[44-168]/[44-460]


(Homo sapiens (Human))		BDBM331282
PNG
(10-Methanesulfonyl-N-methyl-5-[4-(2H3)methyl-1-met...)
Show SMILES CC(C)N(C)c1ncc(c2n([C@@H](C3CCOCC3)c3ccccc3)c3cc(cnc3c12)-c1c(C)nnn1C)S(C)(=O)=O |r|
Show InChI InChI=1S/C31H37N7O3S/c1-19(2)36(4)31-26-27-24(16-23(17-32-27)28-20(3)34-35-37(28)5)38(30(26)25(18-33-31)42(6,39)40)29(21-10-8-7-9-11-21)22-12-14-41-15-13-22/h7-11,16-19,22,29H,12-15H2,1-6H3/t29-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



Bristol-Myers Squibb Company

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 US9725449 (2017)


BindingDB Entry DOI: 10.7270/Q2P55QM6
More data for this
Ligand-Target Pair