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Compile Data Set for Download or QSAR

Found 6 hits of ec50 for UniProtKB: P99999   
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
Cytochrome c


(Homo sapiens)
BDBM50486083
PNG
(CHEMBL2203815)
Show SMILES NC(=O)CN(CCc1ccc(Cl)cc1Cl)C(=O)[C@@H]1CC(=O)N(CCc2ccc(Cl)cc2Cl)CC(=O)N1CCC(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C39H38Cl4N4O4/c40-30-13-11-28(33(42)21-30)15-18-45-25-38(50)47(20-17-32(26-7-3-1-4-8-26)27-9-5-2-6-10-27)35(23-37(45)49)39(51)46(24-36(44)48)19-16-29-12-14-31(41)22-34(29)43/h1-14,21-22,32,35H,15-20,23-25H2,(H2,44,48)/t35-/m0/s1
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UniChem
Article
PubMed
n/an/an/an/a 1.40E+4n/an/an/an/a



Instituto de Qu£mica Avanzada de Catalu£a

Curated by ChEMBL


Assay Description
Inhibition of Apaf-1-caspase 9-cytochrome c-caspase 3 complex in human HEK293 cytosolic extract using afc-DEVD as substrate preincubated for 30 mins ...


Bioorg Med Chem Lett 22: 7097-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.078
BindingDB Entry DOI: 10.7270/Q2SB48M3
More data for this
Ligand-Target Pair
Cytochrome c


(Homo sapiens)
BDBM50486085
PNG
(CHEMBL2203816)
Show SMILES NC(=O)CN(CCc1ccc(Cl)cc1Cl)C(=O)[C@H]1CC(=O)N(CCc2ccc(Cl)cc2Cl)CC(=O)N1CCC(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C39H38Cl4N4O4/c40-30-13-11-28(33(42)21-30)15-18-45-25-38(50)47(20-17-32(26-7-3-1-4-8-26)27-9-5-2-6-10-27)35(23-37(45)49)39(51)46(24-36(44)48)19-16-29-12-14-31(41)22-34(29)43/h1-14,21-22,32,35H,15-20,23-25H2,(H2,44,48)/t35-/m1/s1
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n/an/an/an/a 1.44E+4n/an/an/an/a



Instituto de Qu£mica Avanzada de Catalu£a

Curated by ChEMBL


Assay Description
Inhibition of Apaf-1-caspase 9-cytochrome c-caspase 3 complex in human HEK293 cytosolic extract using afc-DEVD as substrate preincubated for 30 mins ...


Bioorg Med Chem Lett 22: 7097-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.078
BindingDB Entry DOI: 10.7270/Q2SB48M3
More data for this
Ligand-Target Pair
Cytochrome c


(Homo sapiens)
BDBM50486084
PNG
(CHEMBL252122)
Show SMILES NC(=O)CN(CCc1ccc(Cl)cc1Cl)C(=O)C1CC(=O)N(CCc2ccc(Cl)cc2Cl)CC(=O)N1CCC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C39H38Cl4N4O4/c40-30-13-11-28(33(42)21-30)15-18-45-25-38(50)47(20-17-32(26-7-3-1-4-8-26)27-9-5-2-6-10-27)35(23-37(45)49)39(51)46(24-36(44)48)19-16-29-12-14-31(41)22-34(29)43/h1-14,21-22,32,35H,15-20,23-25H2,(H2,44,48)
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n/an/an/an/a 1.68E+4n/an/an/an/a



Instituto de Qu£mica Avanzada de Catalu£a

Curated by ChEMBL


Assay Description
Inhibition of Apaf-1-caspase 9-cytochrome c-caspase 3 complex in human HEK293 cytosolic extract using afc-DEVD as substrate preincubated for 30 mins ...


Bioorg Med Chem Lett 22: 7097-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.078
BindingDB Entry DOI: 10.7270/Q2SB48M3
More data for this
Ligand-Target Pair
Cytochrome c


(Homo sapiens)
BDBM50486086
PNG
(CHEMBL2203814)
Show SMILES NC(=O)CN(CCc1ccc(Cl)cc1Cl)C(=O)CC1N(CCC(c2ccccc2)c2ccccc2)C(=O)CN(CCc2ccc(Cl)cc2Cl)C1=O
Show InChI InChI=1S/C39H38Cl4N4O4/c40-30-13-11-28(33(42)21-30)15-18-45(24-36(44)48)37(49)23-35-39(51)46(19-16-29-12-14-31(41)22-34(29)43)25-38(50)47(35)20-17-32(26-7-3-1-4-8-26)27-9-5-2-6-10-27/h1-14,21-22,32,35H,15-20,23-25H2,(H2,44,48)
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n/an/an/an/a 1.70E+4n/an/an/an/a



Instituto de Qu£mica Avanzada de Catalu£a

Curated by ChEMBL


Assay Description
Inhibition of Apaf-1-caspase 9-cytochrome c-caspase 3 complex in human HEK293 cytosolic extract using afc-DEVD as substrate preincubated for 30 mins ...


Bioorg Med Chem Lett 22: 7097-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.078
BindingDB Entry DOI: 10.7270/Q2SB48M3
More data for this
Ligand-Target Pair
Cytochrome c


(Homo sapiens)
BDBM50486081
PNG
(CHEMBL2203812)
Show SMILES NC(=O)CN(CCc1ccc(Cl)cc1Cl)C(=O)C[C@@H]1N(CCC(c2ccccc2)c2ccccc2)C(=O)CN(CCc2ccc(Cl)cc2Cl)C1=O |r|
Show InChI InChI=1S/C39H38Cl4N4O4/c40-30-13-11-28(33(42)21-30)15-18-45(24-36(44)48)37(49)23-35-39(51)46(19-16-29-12-14-31(41)22-34(29)43)25-38(50)47(35)20-17-32(26-7-3-1-4-8-26)27-9-5-2-6-10-27/h1-14,21-22,32,35H,15-20,23-25H2,(H2,44,48)/t35-/m0/s1
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UniChem
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n/an/an/an/a 2.39E+4n/an/an/an/a



Instituto de Qu£mica Avanzada de Catalu£a

Curated by ChEMBL


Assay Description
Inhibition of Apaf-1-caspase 9-cytochrome c-caspase 3 complex in human HEK293 cytosolic extract using afc-DEVD as substrate preincubated for 30 mins ...


Bioorg Med Chem Lett 22: 7097-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.078
BindingDB Entry DOI: 10.7270/Q2SB48M3
More data for this
Ligand-Target Pair
Cytochrome c


(Homo sapiens)
BDBM50486082
PNG
(CHEMBL2203813)
Show SMILES NC(=O)CN(CCc1ccc(Cl)cc1Cl)C(=O)C[C@H]1N(CCC(c2ccccc2)c2ccccc2)C(=O)CN(CCc2ccc(Cl)cc2Cl)C1=O |r|
Show InChI InChI=1S/C39H38Cl4N4O4/c40-30-13-11-28(33(42)21-30)15-18-45(24-36(44)48)37(49)23-35-39(51)46(19-16-29-12-14-31(41)22-34(29)43)25-38(50)47(35)20-17-32(26-7-3-1-4-8-26)27-9-5-2-6-10-27/h1-14,21-22,32,35H,15-20,23-25H2,(H2,44,48)/t35-/m1/s1
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UniChem
Article
PubMed
n/an/an/an/a 2.99E+4n/an/an/an/a



Instituto de Qu£mica Avanzada de Catalu£a

Curated by ChEMBL


Assay Description
Inhibition of Apaf-1-caspase 9-cytochrome c-caspase 3 complex in human HEK293 cytosolic extract using afc-DEVD as substrate preincubated for 30 mins ...


Bioorg Med Chem Lett 22: 7097-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.078
BindingDB Entry DOI: 10.7270/Q2SB48M3
More data for this
Ligand-Target Pair