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BDBM237514 US9393232, 2.13a::US9393232, 2.13b

SMILES: C[C@@H](O)CNC1(C(=O)Nc2ccc(cc12)-c1c(C)noc1C)c1ccccc1

InChI Key: InChIKey=PPMWZCIDGVNNEH-BXWDTWGJSA-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 = 237514   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Bromodomain-containing protein 4 (BRD4 (aa 1-477)


(Homo sapiens (Human))
BDBM237514
PNG
(US9393232, 2.13a | US9393232, 2.13b)
Show SMILES C[C@@H](O)CNC1(C(=O)Nc2ccc(cc12)-c1c(C)noc1C)c1ccccc1
Show InChI InChI=1S/C22H23N3O3/c1-13(26)12-23-22(17-7-5-4-6-8-17)18-11-16(9-10-19(18)24-21(22)27)20-14(2)25-28-15(20)3/h4-11,13,23,26H,12H2,1-3H3,(H,24,27)/t13-,22?/m1/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 81n/an/an/an/a7.5n/a



BeiGene, Ltd

US Patent


Assay Description
The assay was carried out in binding mixtures of the bromodomain protein, 0-10 μM compounds and tetra-acetylated histone peptide (SGRGAC.KGGAC.K...


US Patent US9393232 (2016)


BindingDB Entry DOI: 10.7270/Q25T3JDK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4 (aa 1-477)


(Homo sapiens (Human))
BDBM237514
PNG
(US9393232, 2.13a | US9393232, 2.13b)
Show SMILES C[C@@H](O)CNC1(C(=O)Nc2ccc(cc12)-c1c(C)noc1C)c1ccccc1
Show InChI InChI=1S/C22H23N3O3/c1-13(26)12-23-22(17-7-5-4-6-8-17)18-11-16(9-10-19(18)24-21(22)27)20-14(2)25-28-15(20)3/h4-11,13,23,26H,12H2,1-3H3,(H,24,27)/t13-,22?/m1/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 710n/an/an/an/a7.5n/a



BeiGene, Ltd

US Patent


Assay Description
The assay was carried out in binding mixtures of the bromodomain protein, 0-10 μM compounds and tetra-acetylated histone peptide (SGRGAC.KGGAC.K...


US Patent US9393232 (2016)


BindingDB Entry DOI: 10.7270/Q25T3JDK
More data for this
Ligand-Target Pair