BindingDB logo
myBDB logout

BDBM320327 4-[3-(Dimethyl-1H-1,2,3-triazol-5-yl)-5-[(S)-oxan-4-yl(phenyl)methyl]-5H-pyrido[3,2-b]-indol-7-yl]-1λ6-thiomorpholine-1,1-dione::BDBM320328::US10174024, Example 44

SMILES: Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(ccc21)N1CCS(=O)(=O)CC1

InChI Key: InChIKey=OCFMGXWVDNADHM-WJOKGBTCSA-N

Data: 2 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 2 hits for monomerid = 320327   
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))
BDBM320327
PNG
(4-[3-(Dimethyl-1H-1,2,3-triazol-5-yl)-5-[(S)-oxan-...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(ccc21)N1CCS(=O)(=O)CC1 |r|
Show InChI InChI=1S/C31H34N6O3S/c1-21-30(35(2)34-33-21)24-18-28-29(32-20-24)26-9-8-25(36-12-16-41(38,39)17-13-36)19-27(26)37(28)31(22-6-4-3-5-7-22)23-10-14-40-15-11-23/h3-9,18-20,23,31H,10-17H2,1-2H3/t31-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<5n/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 US10174024 (2019)


BindingDB Entry DOI: 10.7270/Q2319XZ1
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM320327
PNG
(4-[3-(Dimethyl-1H-1,2,3-triazol-5-yl)-5-[(S)-oxan-...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(ccc21)N1CCS(=O)(=O)CC1 |r|
Show InChI InChI=1S/C31H34N6O3S/c1-21-30(35(2)34-33-21)24-18-28-29(32-20-24)26-9-8-25(36-12-16-41(38,39)17-13-36)19-27(26)37(28)31(22-6-4-3-5-7-22)23-10-14-40-15-11-23/h3-9,18-20,23,31H,10-17H2,1-2H3/t31-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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 US10174024 (2019)


BindingDB Entry DOI: 10.7270/Q2319XZ1
More data for this
Ligand-Target Pair