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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 = 'BDBM50238719'   
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))
BDBM50238719
PNG
(CHEMBL4073395)
Show SMILES NCCNC(=O)\C=C\c1ccc(cc1)C(=C1C2CC3CC(C2)CC1C3)c1ccc(O)cc1 |TLB:14:15:17:21.19.20,THB:19:18:15:21.20.22,19:20:17.18.24:15,22:20:17:24.23.15,22:23:17:21.19.20,(28.05,-10.91,;29.38,-10.14,;30.71,-10.92,;32.05,-10.15,;33.38,-10.93,;33.38,-12.47,;34.72,-10.16,;36.06,-10.93,;37.39,-10.16,;37.39,-8.62,;38.72,-7.85,;40.06,-8.61,;40.06,-10.16,;38.72,-10.93,;41.39,-7.84,;42.72,-8.6,;42.73,-10.09,;41.54,-11.36,;43.03,-10.95,;44.44,-11.51,;45.45,-10.23,;44.05,-10.58,;45.47,-8.7,;44.06,-8.13,;43.02,-9.36,;41.38,-6.3,;42.72,-5.53,;42.71,-3.99,;41.37,-3.22,;41.37,-1.68,;40.04,-4.01,;40.05,-5.54,)|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.570n/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))
BDBM50238719
PNG
(CHEMBL4073395)
Show SMILES NCCNC(=O)\C=C\c1ccc(cc1)C(=C1C2CC3CC(C2)CC1C3)c1ccc(O)cc1 |TLB:14:15:17:21.19.20,THB:19:18:15:21.20.22,19:20:17.18.24:15,22:20:17:24.23.15,22:23:17:21.19.20,(28.05,-10.91,;29.38,-10.14,;30.71,-10.92,;32.05,-10.15,;33.38,-10.93,;33.38,-12.47,;34.72,-10.16,;36.06,-10.93,;37.39,-10.16,;37.39,-8.62,;38.72,-7.85,;40.06,-8.61,;40.06,-10.16,;38.72,-10.93,;41.39,-7.84,;42.72,-8.6,;42.73,-10.09,;41.54,-11.36,;43.03,-10.95,;44.44,-11.51,;45.45,-10.23,;44.05,-10.58,;45.47,-8.7,;44.06,-8.13,;43.02,-9.36,;41.38,-6.3,;42.72,-5.53,;42.71,-3.99,;41.37,-3.22,;41.37,-1.68,;40.04,-4.01,;40.05,-5.54,)|
PDB

UniProtKB/SwissProt

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