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BDBM298347 US10124009, Compound 2

SMILES: CC(O)COC(=O)C[C@@H]1N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(Cl)cc1

InChI Key: InChIKey=HYZSGNVUPIWIJF-KLLZUTDZSA-N

Data: 2 Kd

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 = 298347   
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 Isoform C


(Homo sapiens (Human))
BDBM298347
PNG
(US10124009, Compound 2)
Show SMILES CC(O)COC(=O)C[C@@H]1N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(Cl)cc1 |r,c:9|
Show InChI InChI=1S/C22H23ClN4O3S/c1-11(28)10-30-18(29)9-17-21-26-25-14(4)27(21)22-19(12(2)13(3)31-22)20(24-17)15-5-7-16(23)8-6-15/h5-8,11,17,28H,9-10H2,1-4H3/t11?,17-/m0/s1
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/a 1.90E+3n/an/an/an/an/a



Tensha Therapeutics, Inc.

US Patent




US Patent US10124009 (2018)


BindingDB Entry DOI: 10.7270/Q26975MC
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM298347
PNG
(US10124009, Compound 2)
Show SMILES CC(O)COC(=O)C[C@@H]1N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(Cl)cc1 |r,c:9|
Show InChI InChI=1S/C22H23ClN4O3S/c1-11(28)10-30-18(29)9-17-21-26-25-14(4)27(21)22-19(12(2)13(3)31-22)20(24-17)15-5-7-16(23)8-6-15/h5-8,11,17,28H,9-10H2,1-4H3/t11?,17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/a 1.90E+3n/an/an/an/an/a



Tensha Therapeutics, Inc.

US Patent


Assay Description
A BROMOscan binding assay was utilized to test the in vitro binding activity of (S)-Compounds 1, 2, 3, 4, 5 and 7 to the first and second bromodomain...


US Patent US10124009 (2018)


BindingDB Entry DOI: 10.7270/Q26975MC
More data for this
Ligand-Target Pair