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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Apoptosis regulator Bcl-2' and Ligand = 'BDBM156386'   
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
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM156386
PNG
(US9018381, 9 | US9248140, 9)
Show SMILES CN(CCOP(O)(O)=O)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)[C@@H](O)c1ccccc1-c1ccc(Cl)cc1
Show InChI InChI=1S/C45H49ClF3N4O10PS3/c1-52(27-28-63-64(56,57)58)24-23-35(30-65-37-7-3-2-4-8-37)50-41-20-19-38(29-42(41)66(59,60)45(47,48)49)67(61,62)51-44(55)33-13-17-36(18-14-33)53-25-21-32(22-26-53)43(54)40-10-6-5-9-39(40)31-11-15-34(46)16-12-31/h2-20,29,32,35,43,50,54H,21-28,30H2,1H3,(H,51,55)(H2,56,57,58)/t35-,43-/m1/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.900n/an/an/an/a7.5n/a



AstraZeneca AB

US Patent


Assay Description
Bcl-xL and Bcl-2 FP binding affinity of compound(s) of Formulae (I), (I-a), (I-b), (I-c), (I-d) and/or (I-c) may be determined using a variety of kno...


US Patent US9248140 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K34
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM156386
PNG
(US9018381, 9 | US9248140, 9)
Show SMILES CN(CCOP(O)(O)=O)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)[C@@H](O)c1ccccc1-c1ccc(Cl)cc1
Show InChI InChI=1S/C45H49ClF3N4O10PS3/c1-52(27-28-63-64(56,57)58)24-23-35(30-65-37-7-3-2-4-8-37)50-41-20-19-38(29-42(41)66(59,60)45(47,48)49)67(61,62)51-44(55)33-13-17-36(18-14-33)53-25-21-32(22-26-53)43(54)40-10-6-5-9-39(40)31-11-15-34(46)16-12-31/h2-20,29,32,35,43,50,54H,21-28,30H2,1H3,(H,51,55)(H2,56,57,58)/t35-,43-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.900n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
Bcl-xL and Bcl-2 FP binding affinity of compound(s) of Formulae (I), (I-a), (I-b), (I-c), (I-d) and/or (I-e) may be determined using a variety of kno...


US Patent US9018381 (2015)


BindingDB Entry DOI: 10.7270/Q2BC3X8D
More data for this
Ligand-Target Pair