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SMILES: FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCP(=O)(Cc2ccccc2-c2ccc(Cl)cc2)CC1

InChI Key: InChIKey=WAOGOZYMYIVICZ-DIPNUNPCSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50044934   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50044934
PNG
(CHEMBL3311484)
Show SMILES FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCP(=O)(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r|
Show InChI InChI=1S/C45H47ClF3N4O7PS3/c46-36-14-10-33(11-15-36)41-9-5-4-6-35(41)31-61(55)28-24-53(25-29-61)38-16-12-34(13-17-38)44(54)51-64(58,59)40-18-19-42(43(30-40)63(56,57)45(47,48)49)50-37(20-21-52-22-26-60-27-23-52)32-62-39-7-2-1-3-8-39/h1-19,30,37,50H,20-29,31-32H2,(H,51,54)/t37-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 18n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of c-terminal 6xHis-tagged Bcl-xL (amino acids 1 to 209) (unknown origin) preincubated for 1 hr prior to substrate addition measured after...


Bioorg Med Chem Lett 24: 3026-33 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.036
BindingDB Entry DOI: 10.7270/Q27M09JW
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50044934
PNG
(CHEMBL3311484)
Show SMILES FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCP(=O)(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r|
Show InChI InChI=1S/C45H47ClF3N4O7PS3/c46-36-14-10-33(11-15-36)41-9-5-4-6-35(41)31-61(55)28-24-53(25-29-61)38-16-12-34(13-17-38)44(54)51-64(58,59)40-18-19-42(43(30-40)63(56,57)45(47,48)49)50-37(20-21-52-22-26-60-27-23-52)32-62-39-7-2-1-3-8-39/h1-19,30,37,50H,20-29,31-32H2,(H,51,54)/t37-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 54n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of c-terminal 6xHis-tagged Bcl-2 (amino acids 1 to 204) (unknown origin) preincubated for 1 hr prior to substrate addition measured after ...


Bioorg Med Chem Lett 24: 3026-33 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.036
BindingDB Entry DOI: 10.7270/Q27M09JW
More data for this
Ligand-Target Pair