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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Baculoviral IAP repeat-containing protein 2/Estrogen receptor' and Ligand = 'BDBM50238742'   
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
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM50238742
PNG
(CHEMBL4062045)
Show SMILES NCCCNC(=O)\C=C\c1ccc(cc1)C(=C1C2CC3CC(C2)CC1C3)c1ccc(O)cc1 |TLB:15:16:18:22.20.21,THB:20:19:16:22.21.23,20:21:18.19.25:16,23:21:18:25.24.16,23:24:18:22.20.21,(26.16,-25.06,;27.49,-25.83,;28.82,-25.07,;30.15,-25.84,;31.49,-25.08,;32.82,-25.85,;32.82,-27.39,;34.16,-25.09,;35.5,-25.86,;36.83,-25.09,;36.83,-23.54,;38.16,-22.77,;39.5,-23.54,;39.5,-25.09,;38.16,-25.86,;40.83,-22.76,;42.16,-23.53,;42.17,-25.02,;40.98,-26.29,;42.47,-25.87,;43.88,-26.43,;44.89,-25.16,;43.49,-25.5,;44.91,-23.63,;43.5,-23.06,;42.46,-24.28,;40.82,-21.22,;42.16,-20.46,;42.15,-18.92,;40.81,-18.15,;40.81,-16.61,;39.48,-18.93,;39.49,-20.47,)|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.370n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL




J Med Chem 60: 6321-6336 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00585
BindingDB Entry DOI: 10.7270/Q2RB76V7
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM50238742
PNG
(CHEMBL4062045)
Show SMILES NCCCNC(=O)\C=C\c1ccc(cc1)C(=C1C2CC3CC(C2)CC1C3)c1ccc(O)cc1 |TLB:15:16:18:22.20.21,THB:20:19:16:22.21.23,20:21:18.19.25:16,23:21:18:25.24.16,23:24:18:22.20.21,(26.16,-25.06,;27.49,-25.83,;28.82,-25.07,;30.15,-25.84,;31.49,-25.08,;32.82,-25.85,;32.82,-27.39,;34.16,-25.09,;35.5,-25.86,;36.83,-25.09,;36.83,-23.54,;38.16,-22.77,;39.5,-23.54,;39.5,-25.09,;38.16,-25.86,;40.83,-22.76,;42.16,-23.53,;42.17,-25.02,;40.98,-26.29,;42.47,-25.87,;43.88,-26.43,;44.89,-25.16,;43.49,-25.5,;44.91,-23.63,;43.5,-23.06,;42.46,-24.28,;40.82,-21.22,;42.16,-20.46,;42.15,-18.92,;40.81,-18.15,;40.81,-16.61,;39.48,-18.93,;39.49,-20.47,)|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 12n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL




J Med Chem 60: 6321-6336 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00585
BindingDB Entry DOI: 10.7270/Q2RB76V7
More data for this
Ligand-Target Pair