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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Bromodomain-containing protein 9' and Ligand = 'BDBM321422'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Bromodomain-containing protein 9


(Homo sapiens (Human))
BDBM321422
PNG
(5-[6-[(E)-but-2-enyl]-2-methyl-7-oxo-1H-pyrrolo[2,...)
Show SMILES C\C=C\Cn1cc(-c2ccc(C(=O)N3CCOCC3)c(c2)C#N)c2cc(C)[nH]c2c1=O
Show InChI InChI=1S/C24H24N4O3/c1-3-4-7-28-15-21(20-12-16(2)26-22(20)24(28)30)17-5-6-19(18(13-17)14-25)23(29)27-8-10-31-11-9-27/h3-6,12-13,15,26H,7-11H2,1-2H3/b4-3+
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 8n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens (Human))
BDBM321422
PNG
(5-[6-[(E)-but-2-enyl]-2-methyl-7-oxo-1H-pyrrolo[2,...)
Show SMILES C\C=C\Cn1cc(-c2ccc(C(=O)N3CCOCC3)c(c2)C#N)c2cc(C)[nH]c2c1=O
Show InChI InChI=1S/C24H24N4O3/c1-3-4-7-28-15-21(20-12-16(2)26-22(20)24(28)30)17-5-6-19(18(13-17)14-25)23(29)27-8-10-31-11-9-27/h3-6,12-13,15,26H,7-11H2,1-2H3/b4-3+
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a 31n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair