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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 = 'BDBM50238727'   
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))
BDBM50238727
PNG
(CHEMBL4065838)
Show SMILES OCCN(CCO)C(=O)\C=C\c1ccc(cc1)C(=C1C2CC3CC(C2)CC1C3)c1ccc(O)cc1 |TLB:17:18:20:24.22.23,THB:22:21:18:24.23.25,22:23:20.21.27:18,25:23:20:27.26.18,25:26:20:24.22.23,(4,-23.69,;5.34,-22.92,;6.67,-23.7,;8,-22.93,;8.01,-21.39,;6.68,-20.62,;6.68,-19.08,;9.33,-23.71,;9.33,-25.25,;10.67,-22.94,;12.01,-23.71,;13.34,-22.94,;13.34,-21.4,;14.67,-20.63,;16.01,-21.39,;16.01,-22.94,;14.68,-23.71,;17.34,-20.61,;18.68,-21.38,;18.68,-22.87,;17.49,-24.14,;18.98,-23.73,;20.39,-24.29,;21.4,-23.01,;20,-23.35,;21.42,-21.48,;20.01,-20.91,;18.98,-22.14,;17.33,-19.07,;18.67,-18.31,;18.66,-16.77,;17.32,-16,;17.32,-14.46,;15.99,-16.79,;16,-18.32,)|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.130n/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))
BDBM50238727
PNG
(CHEMBL4065838)
Show SMILES OCCN(CCO)C(=O)\C=C\c1ccc(cc1)C(=C1C2CC3CC(C2)CC1C3)c1ccc(O)cc1 |TLB:17:18:20:24.22.23,THB:22:21:18:24.23.25,22:23:20.21.27:18,25:23:20:27.26.18,25:26:20:24.22.23,(4,-23.69,;5.34,-22.92,;6.67,-23.7,;8,-22.93,;8.01,-21.39,;6.68,-20.62,;6.68,-19.08,;9.33,-23.71,;9.33,-25.25,;10.67,-22.94,;12.01,-23.71,;13.34,-22.94,;13.34,-21.4,;14.67,-20.63,;16.01,-21.39,;16.01,-22.94,;14.68,-23.71,;17.34,-20.61,;18.68,-21.38,;18.68,-22.87,;17.49,-24.14,;18.98,-23.73,;20.39,-24.29,;21.4,-23.01,;20,-23.35,;21.42,-21.48,;20.01,-20.91,;18.98,-22.14,;17.33,-19.07,;18.67,-18.31,;18.66,-16.77,;17.32,-16,;17.32,-14.46,;15.99,-16.79,;16,-18.32,)|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.10n/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