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Compile Data Set for Download or QSAR

Found 8 hits of ph data with Target = 'Caspase-9'   
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
Caspase-9


(Homo sapiens (human))
BDBM223312
PNG
(Felbinac)
Show SMILES OC(=O)Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C14H12O2/c15-14(16)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H,10H2,(H,15,16)
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Article
PubMed
n/an/a 1.80E+3n/an/an/an/a7.4n/a



University of Colorado



Assay Description
Experiments were performed in a 384-well format (Greiner no. 781207) as per the conditions noted here. Caspase-1: 2.5 nM enzyme, 6.5 mM WEHD substrat...


Cell Chem Biol 24: 281-292 (2017)


Article DOI: 10.1016/j.chembiol.2017.02.003
BindingDB Entry DOI: 10.7270/Q2C53JQX
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (human))
BDBM50240374
PNG
(3-(4-biphenylylcarbonyl)propionic acid | 3-(4-phen...)
Show SMILES OC(=O)CCC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C16H14O3/c17-15(10-11-16(18)19)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9H,10-11H2,(H,18,19)
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Article
PubMed
n/an/a 760n/an/an/an/a7.4n/a



University of Colorado



Assay Description
Experiments were performed in a 384-well format (Greiner no. 781207) as per the conditions noted here. Caspase-1: 2.5 nM enzyme, 6.5 mM WEHD substrat...


Cell Chem Biol 24: 281-292 (2017)


Article DOI: 10.1016/j.chembiol.2017.02.003
BindingDB Entry DOI: 10.7270/Q2C53JQX
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (human))
BDBM50009859
PNG
((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Show SMILES CC(C)Cc1ccc(cc1)C(C)C(O)=O
Show InChI InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)
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Article
PubMed
n/an/a 4.90E+3n/an/an/an/a7.4n/a



University of Colorado



Assay Description
Experiments were performed in a 384-well format (Greiner no. 781207) as per the conditions noted here. Caspase-1: 2.5 nM enzyme, 6.5 mM WEHD substrat...


Cell Chem Biol 24: 281-292 (2017)


Article DOI: 10.1016/j.chembiol.2017.02.003
BindingDB Entry DOI: 10.7270/Q2C53JQX
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (human))
BDBM223313
PNG
(Tiaprofenic acid)
Show SMILES CC(C(O)=O)c1ccc(s1)C(=O)c1ccccc1
Show InChI InChI=1S/C14H12O3S/c1-9(14(16)17)11-7-8-12(18-11)13(15)10-5-3-2-4-6-10/h2-9H,1H3,(H,16,17)
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PubMed
n/an/a 2.20E+3n/an/an/an/a7.4n/a



University of Colorado



Assay Description
Experiments were performed in a 384-well format (Greiner no. 781207) as per the conditions noted here. Caspase-1: 2.5 nM enzyme, 6.5 mM WEHD substrat...


Cell Chem Biol 24: 281-292 (2017)


Article DOI: 10.1016/j.chembiol.2017.02.003
BindingDB Entry DOI: 10.7270/Q2C53JQX
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (human))
BDBM85511
PNG
(CAS_74103-07-4 | KETOROLAC | Ketorolac tris salt |...)
Show SMILES OC(=O)C1CCn2c1ccc2C(=O)c1ccccc1
Show InChI InChI=1S/C15H13NO3/c17-14(10-4-2-1-3-5-10)13-7-6-12-11(15(18)19)8-9-16(12)13/h1-7,11H,8-9H2,(H,18,19)
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KEGG
PC cid
PC sid
PDB
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Article
PubMed
n/an/a 850n/an/an/an/a7.4n/a



University of Colorado



Assay Description
Experiments were performed in a 384-well format (Greiner no. 781207) as per the conditions noted here. Caspase-1: 2.5 nM enzyme, 6.5 mM WEHD substrat...


Cell Chem Biol 24: 281-292 (2017)


Article DOI: 10.1016/j.chembiol.2017.02.003
BindingDB Entry DOI: 10.7270/Q2C53JQX
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (human))
BDBM50022271
PNG
(2-(3-Benzoylphenyl)propionic acid | 2-(3-benzoylph...)
Show SMILES CC(C(O)=O)c1cccc(c1)C(=O)c1ccccc1
Show InChI InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)
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Article
PubMed
n/an/a 1.00E+4n/an/an/an/a7.4n/a



University of Colorado



Assay Description
Experiments were performed in a 384-well format (Greiner no. 781207) as per the conditions noted here. Caspase-1: 2.5 nM enzyme, 6.5 mM WEHD substrat...


Cell Chem Biol 24: 281-292 (2017)


Article DOI: 10.1016/j.chembiol.2017.02.003
BindingDB Entry DOI: 10.7270/Q2C53JQX
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (human))
BDBM50339185
PNG
((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | ...)
Show SMILES COc1ccc2cc(ccc2c1)[C@H](C)C(O)=O
Show InChI InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1
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PC sid
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UniChem

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Article
PubMed
n/an/a 1.00E+4n/an/an/an/a7.4n/a



University of Colorado



Assay Description
Experiments were performed in a 384-well format (Greiner no. 781207) as per the conditions noted here. Caspase-1: 2.5 nM enzyme, 6.5 mM WEHD substrat...


Cell Chem Biol 24: 281-292 (2017)


Article DOI: 10.1016/j.chembiol.2017.02.003
BindingDB Entry DOI: 10.7270/Q2C53JQX
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (human))
BDBM50233673
PNG
((+)-2-(4-(1-oxoisoindolin-2-yl)phenyl)propanoic ac...)
Show SMILES CC(C(O)=O)c1ccc(cc1)N1Cc2ccccc2C1=O
Show InChI InChI=1S/C17H15NO3/c1-11(17(20)21)12-6-8-14(9-7-12)18-10-13-4-2-3-5-15(13)16(18)19/h2-9,11H,10H2,1H3,(H,20,21)
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CHEMBL
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 300n/an/an/an/a7.4n/a



University of Colorado



Assay Description
Experiments were performed in a 384-well format (Greiner no. 781207) as per the conditions noted here. Caspase-1: 2.5 nM enzyme, 6.5 mM WEHD substrat...


Cell Chem Biol 24: 281-292 (2017)


Article DOI: 10.1016/j.chembiol.2017.02.003
BindingDB Entry DOI: 10.7270/Q2C53JQX
More data for this
Ligand-Target Pair