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BDBM298346 US10124009, Compound 1

SMILES: Cc1sc-2c(c1C)C(=N[C@@H](CC(=O)OC1CCC(O)CC1)c1nnc(C)n-21)c1ccc(Cl)cc1

InChI Key:

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 = 298346   
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))
BDBM298346
PNG
(US10124009, Compound 1)
Show SMILES Cc1sc-2c(c1C)C(=N[C@@H](CC(=O)OC1CCC(O)CC1)c1nnc(C)n-21)c1ccc(Cl)cc1 |r,wD:9.10,c:8,(-6.28,-3.66,;-5.38,-2.42,;-5.85,-.95,;-4.61,-.05,;-3.36,-.95,;-3.84,-2.42,;-2.93,-3.66,;-1.88,-.54,;-1.27,.87,;-2,2.23,;-1.23,3.56,;.31,3.56,;1.08,4.9,;1.08,2.23,;2.62,2.23,;3.39,.9,;4.93,.9,;5.7,2.23,;7.24,2.23,;4.93,3.56,;3.39,3.56,;-3.52,2.51,;-4.16,3.9,;-5.69,3.72,;-5.99,2.21,;-7.39,1.56,;-4.64,1.46,;-.79,-1.63,;-1.18,-3.12,;-.1,-4.21,;1.39,-3.81,;2.48,-4.9,;1.79,-2.32,;.7,-1.23,)|
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/a 1.50E+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))
BDBM298346
PNG
(US10124009, Compound 1)
Show SMILES Cc1sc-2c(c1C)C(=N[C@@H](CC(=O)OC1CCC(O)CC1)c1nnc(C)n-21)c1ccc(Cl)cc1 |r,wD:9.10,c:8,(-6.28,-3.66,;-5.38,-2.42,;-5.85,-.95,;-4.61,-.05,;-3.36,-.95,;-3.84,-2.42,;-2.93,-3.66,;-1.88,-.54,;-1.27,.87,;-2,2.23,;-1.23,3.56,;.31,3.56,;1.08,4.9,;1.08,2.23,;2.62,2.23,;3.39,.9,;4.93,.9,;5.7,2.23,;7.24,2.23,;4.93,3.56,;3.39,3.56,;-3.52,2.51,;-4.16,3.9,;-5.69,3.72,;-5.99,2.21,;-7.39,1.56,;-4.64,1.46,;-.79,-1.63,;-1.18,-3.12,;-.1,-4.21,;1.39,-3.81,;2.48,-4.9,;1.79,-2.32,;.7,-1.23,)|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/a 1.30E+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