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1 similar compounds to monomer 50160961

Wt: 631.1
BDBM10674

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 10674   
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
Caspase-3


(Homo sapiens (human))
BDBM10674
PNG
((3S)-5-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}...)
Show SMILES COc1ccc(cc1CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1c(F)cccc1Cl)S(C)(=O)=O
Show InChI InChI=1S/C27H32ClFN2O8S2/c1-15(2)26(31-24(33)11-16-10-17(41(4,37)38)8-9-23(16)39-3)27(36)30-21(12-25(34)35)22(32)14-40-13-18-19(28)6-5-7-20(18)29/h5-10,15,21,26H,11-14H2,1-4H3,(H,30,36)(H,31,33)(H,34,35)/t21-,26-/m0/s1
PDB
MMDB

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PubMed
n/an/a 5n/an/an/an/a7.037



Merck Frosst Canada & Co.



Assay Description
The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof...


Citation and Details
More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM10674
PNG
((3S)-5-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}...)
Show SMILES COc1ccc(cc1CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1c(F)cccc1Cl)S(C)(=O)=O
Show InChI InChI=1S/C27H32ClFN2O8S2/c1-15(2)26(31-24(33)11-16-10-17(41(4,37)38)8-9-23(16)39-3)27(36)30-21(12-25(34)35)22(32)14-40-13-18-19(28)6-5-7-20(18)29/h5-10,15,21,26H,11-14H2,1-4H3,(H,30,36)(H,31,33)(H,34,35)/t21-,26-/m0/s1
PDB
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PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 490n/an/an/an/an/an/a



Merck Frosst Canada & Co.



Assay Description
The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof...


Citation and Details
More data for this
Ligand-Target Pair
Caspase-7


(Homo sapiens (human))
BDBM10674
PNG
((3S)-5-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}...)
Show SMILES COc1ccc(cc1CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1c(F)cccc1Cl)S(C)(=O)=O
Show InChI InChI=1S/C27H32ClFN2O8S2/c1-15(2)26(31-24(33)11-16-10-17(41(4,37)38)8-9-23(16)39-3)27(36)30-21(12-25(34)35)22(32)14-40-13-18-19(28)6-5-7-20(18)29/h5-10,15,21,26H,11-14H2,1-4H3,(H,30,36)(H,31,33)(H,34,35)/t21-,26-/m0/s1
PDB
MMDB

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PC sid
UniChem

Patents


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PubMed
n/an/a 120n/an/an/an/an/an/a



Merck Frosst Canada & Co.



Assay Description
The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof...


Citation and Details
More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (human))
BDBM10674
PNG
((3S)-5-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}...)
Show SMILES COc1ccc(cc1CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1c(F)cccc1Cl)S(C)(=O)=O
Show InChI InChI=1S/C27H32ClFN2O8S2/c1-15(2)26(31-24(33)11-16-10-17(41(4,37)38)8-9-23(16)39-3)27(36)30-21(12-25(34)35)22(32)14-40-13-18-19(28)6-5-7-20(18)29/h5-10,15,21,26H,11-14H2,1-4H3,(H,30,36)(H,31,33)(H,34,35)/t21-,26-/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



Merck Frosst Canada & Co.



Assay Description
The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof...


Citation and Details
More data for this
Ligand-Target Pair