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BDBM298348 US10124009, Compound 3

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

InChI Key: InChIKey=IQOKMHVPLVGCTG-INIZCTEOSA-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 = 298348   
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))
BDBM298348
PNG
(US10124009, Compound 3)
Show SMILES Cc1sc-2c(c1C)C(=N[C@@H](CC(=O)OCCO)c1nnc(C)n-21)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H21ClN4O3S/c1-11-12(2)30-21-18(11)19(14-4-6-15(22)7-5-14)23-16(10-17(28)29-9-8-27)20-25-24-13(3)26(20)21/h4-7,16,27H,8-10H2,1-3H3/t16-/m0/s1
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/a 1.20E+3n/an/an/an/an/a



Tensha Therapeutics, Inc.

US Patent




US Patent US10124009 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM298348
PNG
(US10124009, Compound 3)
Show SMILES Cc1sc-2c(c1C)C(=N[C@@H](CC(=O)OCCO)c1nnc(C)n-21)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H21ClN4O3S/c1-11-12(2)30-21-18(11)19(14-4-6-15(22)7-5-14)23-16(10-17(28)29-9-8-27)20-25-24-13(3)26(20)21/h4-7,16,27H,8-10H2,1-3H3/t16-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/a 1.10E+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)

More data for this
Ligand-Target Pair