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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 = 'BDBM179583'   
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))
BDBM179583
PNG
(US9126980, 28)
Show SMILES CCCCN(CCCC)C(=O)c1cc(C)n(n1)-c1ccc(NS(=O)c2ccccc2C(=O)OC)cc1C(=O)N1Cc2ccccc2C[C@H]1CO |r|
Show InChI InChI=1S/C38H45N5O6S/c1-5-7-19-41(20-8-6-2)37(46)33-21-26(3)43(39-33)34-18-17-29(40-50(48)35-16-12-11-15-31(35)38(47)49-4)23-32(34)36(45)42-24-28-14-10-9-13-27(28)22-30(42)25-44/h9-18,21,23,30,40,44H,5-8,19-20,22,24-25H2,1-4H3/t30-,50?/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 311n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Methods for Determining IC50s.The present method includes utility of a Surface plasmon resonance (SPR)- based biosensor (Biacore GE Healthcare, Uppsa...


US Patent US9126980 (2015)


BindingDB Entry DOI: 10.7270/Q2S18184
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM179583
PNG
(US9126980, 28)
Show SMILES CCCCN(CCCC)C(=O)c1cc(C)n(n1)-c1ccc(NS(=O)c2ccccc2C(=O)OC)cc1C(=O)N1Cc2ccccc2C[C@H]1CO |r|
Show InChI InChI=1S/C38H45N5O6S/c1-5-7-19-41(20-8-6-2)37(46)33-21-26(3)43(39-33)34-18-17-29(40-50(48)35-16-12-11-15-31(35)38(47)49-4)23-32(34)36(45)42-24-28-14-10-9-13-27(28)22-30(42)25-44/h9-18,21,23,30,40,44H,5-8,19-20,22,24-25H2,1-4H3/t30-,50?/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 448n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Methods for Determining IC50s.The present method includes utility of a Surface plasmon resonance (SPR)- based biosensor (Biacore GE Healthcare, Uppsa...


US Patent US9126980 (2015)


BindingDB Entry DOI: 10.7270/Q2S18184
More data for this
Ligand-Target Pair