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BDBM320318 2-{5-[(3-Fluoropyridin-2-yl)(oxan-4-yl)methyl]-6-methanesulfonyl-3-[4-(2H3)methyl-1-methyl-1H-1,2,3-triazol-5-yl]-5H-pyrido[3,2-b]indol-9-yl}-1λ6,2-thiazolidine-1,1-dione::US10174024, Example 35::US10174024, Example 36

SMILES: Cc1[nH]nn(C)c1-c1cnc2c(c1)n(C(C1CCOCC1)c1ncccc1F)c1c(ccc(N3CCCS3(=O)=O)c21)S(C)(=O)=O

InChI Key: InChIKey=RTZAWQZDUBTVBH-UHFFFAOYSA-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 = 320318   
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))
BDBM320318
PNG
(2-{5-[(3-Fluoropyridin-2-yl)(oxan-4-yl)methyl]-6-m...)
Show SMILES Cc1[nH]nn(C)c1-c1cnc2c(c1)n(C(C1CCOCC1)c1ncccc1F)c1c(ccc(N3CCCS3(=O)=O)c21)S(C)(=O)=O
Show InChI InChI=1S/C30H32FN7O5S2/c1-18-28(36(2)35-34-18)20-16-23-27(33-17-20)25-22(37-12-5-15-45(37,41)42)7-8-24(44(3,39)40)30(25)38(23)29(19-9-13-43-14-10-19)26-21(31)6-4-11-32-26/h4,6-8,11,16-17,19,29H,5,9-10,12-15H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1.50E+3n/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))
BDBM320318
PNG
(2-{5-[(3-Fluoropyridin-2-yl)(oxan-4-yl)methyl]-6-m...)
Show SMILES Cc1[nH]nn(C)c1-c1cnc2c(c1)n(C(C1CCOCC1)c1ncccc1F)c1c(ccc(N3CCCS3(=O)=O)c21)S(C)(=O)=O
Show InChI InChI=1S/C30H32FN7O5S2/c1-18-28(36(2)35-34-18)20-16-23-27(33-17-20)25-22(37-12-5-15-45(37,41)42)7-8-24(44(3,39)40)30(25)38(23)29(19-9-13-43-14-10-19)26-21(31)6-4-11-32-26/h4,6-8,11,16-17,19,29H,5,9-10,12-15H2,1-3H3
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