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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 = 'BDBM156384'   
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))
BDBM156384
PNG
(US9018381, 7 | US9248140, 7)
Show SMILES O[C@H](C1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(CCOP(O)(O)=O)CCOP(O)(O)=O)CSc2ccccc2)c(c1)S(=O)(=O)C(F)(F)F)c1ccccc1-c1ccc(Cl)cc1
Show InChI InChI=1S/C46H52ClF3N4O14P2S3/c47-35-14-10-32(11-15-35)40-8-4-5-9-41(40)44(55)33-20-24-54(25-21-33)37-16-12-34(13-17-37)45(56)52-73(65,66)39-18-19-42(43(30-39)72(63,64)46(48,49)50)51-36(31-71-38-6-2-1-3-7-38)22-23-53(26-28-67-69(57,58)59)27-29-68-70(60,61)62/h1-19,30,33,36,44,51,55H,20-29,31H2,(H,52,56)(H2,57,58,59)(H2,60,61,62)/t36-,44-/m1/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2n/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))
BDBM156384
PNG
(US9018381, 7 | US9248140, 7)
Show SMILES O[C@H](C1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(CCOP(O)(O)=O)CCOP(O)(O)=O)CSc2ccccc2)c(c1)S(=O)(=O)C(F)(F)F)c1ccccc1-c1ccc(Cl)cc1
Show InChI InChI=1S/C46H52ClF3N4O14P2S3/c47-35-14-10-32(11-15-35)40-8-4-5-9-41(40)44(55)33-20-24-54(25-21-33)37-16-12-34(13-17-37)45(56)52-73(65,66)39-18-19-42(43(30-39)72(63,64)46(48,49)50)51-36(31-71-38-6-2-1-3-7-38)22-23-53(26-28-67-69(57,58)59)27-29-68-70(60,61)62/h1-19,30,33,36,44,51,55H,20-29,31H2,(H,52,56)(H2,57,58,59)(H2,60,61,62)/t36-,44-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2n/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