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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Bromodomain-containing protein 2' and Ligand = 'BDBM50527821'   
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 2


(Homo sapiens (Human))
BDBM50527821
PNG
(CHEMBL4455209)
Show SMILES COc1cc(OC)c2c(c1)oc(cc2=O)-c1cc(C)c(OC[C@H](O)CN2CCCCC2)c(C)c1 |r|
Show InChI InChI=1S/C27H33NO6/c1-17-10-19(11-18(2)27(17)33-16-20(29)15-28-8-6-5-7-9-28)23-14-22(30)26-24(32-4)12-21(31-3)13-25(26)34-23/h10-14,20,29H,5-9,15-16H2,1-4H3/t20-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 845n/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Binding affinity to recombinant BRD2 BD2 (unknown origin) incubated for 1 hr by TR-FRET assay


J Med Chem 63: 5242-5256 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00035
BindingDB Entry DOI: 10.7270/Q2PK0KMS
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50527821
PNG
(CHEMBL4455209)
Show SMILES COc1cc(OC)c2c(c1)oc(cc2=O)-c1cc(C)c(OC[C@H](O)CN2CCCCC2)c(C)c1 |r|
Show InChI InChI=1S/C27H33NO6/c1-17-10-19(11-18(2)27(17)33-16-20(29)15-28-8-6-5-7-9-28)23-14-22(30)26-24(32-4)12-21(31-3)13-25(26)34-23/h10-14,20,29H,5-9,15-16H2,1-4H3/t20-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 791n/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Binding affinity to recombinant BRD2 BD1 (unknown origin) incubated for 1 hr by TR-FRET assay


J Med Chem 63: 5242-5256 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00035
BindingDB Entry DOI: 10.7270/Q2PK0KMS
More data for this
Ligand-Target Pair