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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 = 'BDBM321412'   
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))
BDBM321412
PNG
(6-[(E)-but-2-enyl]-4-[3-chloro-4-(morpholine-4-car...)
Show SMILES C\C=C\Cn1cc(-c2ccc(C(=O)N3CCOCC3)c(Cl)c2)c2cc(C)[nH]c2c1=O
Show InChI InChI=1S/C23H24ClN3O3/c1-3-4-7-27-14-19(18-12-15(2)25-21(18)23(27)29)16-5-6-17(20(24)13-16)22(28)26-8-10-30-11-9-26/h3-6,12-14,25H,7-11H2,1-2H3/b4-3+
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 7n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM321412
PNG
(6-[(E)-but-2-enyl]-4-[3-chloro-4-(morpholine-4-car...)
Show SMILES C\C=C\Cn1cc(-c2ccc(C(=O)N3CCOCC3)c(Cl)c2)c2cc(C)[nH]c2c1=O
Show InChI InChI=1S/C23H24ClN3O3/c1-3-4-7-27-14-19(18-12-15(2)25-21(18)23(27)29)16-5-6-17(20(24)13-16)22(28)26-8-10-30-11-9-26/h3-6,12-14,25H,7-11H2,1-2H3/b4-3+
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a 79n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair