BindingDB logo
myBDB logout

4 similar compounds to monomer 50160949

Wt: 529.6
BDBM50160948
Wt: 490.5
BDBM50160958
Wt: 529.6
BDBM50160973
Wt: 504.5
BDBM50160988

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 50160948,50160958,50160973,50160988   
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-1


(Homo sapiens (human))
BDBM50160988
PNG
((S)-5-Benzylsulfanyl-3-{2-[3-(3-methoxy-propylamin...)
Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCCCOC)c1=O
Show InChI InChI=1S/C24H32N4O6S/c1-3-19(28-12-11-26-22(24(28)33)25-10-7-13-34-2)23(32)27-18(14-21(30)31)20(29)16-35-15-17-8-5-4-6-9-17/h4-6,8-9,11-12,18-19H,3,7,10,13-16H2,1-2H3,(H,25,26)(H,27,32)(H,30,31)/t18-,19?/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 0.920n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human caspase-1 in neuronal precursor (NT2) cells


Bioorg Med Chem Lett 15: 1173-80 (2005)

More data for this
Ligand-Target Pair
Caspase-7


(Homo sapiens (human))
BDBM50160988
PNG
((S)-5-Benzylsulfanyl-3-{2-[3-(3-methoxy-propylamin...)
Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCCCOC)c1=O
Show InChI InChI=1S/C24H32N4O6S/c1-3-19(28-12-11-26-22(24(28)33)25-10-7-13-34-2)23(32)27-18(14-21(30)31)20(29)16-35-15-17-8-5-4-6-9-17/h4-6,8-9,11-12,18-19H,3,7,10,13-16H2,1-2H3,(H,25,26)(H,27,32)(H,30,31)/t18-,19?/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 9.70n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human caspase-7 in neuronal precursor (NT2) cells


Bioorg Med Chem Lett 15: 1173-80 (2005)

More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (human))
BDBM50160958
PNG
((S)-5-Benzylsulfanyl-3-{2-[3-(2-methoxy-ethylamino...)
Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCCOC)c1=O
Show InChI InChI=1S/C23H30N4O6S/c1-3-18(27-11-9-24-21(23(27)32)25-10-12-33-2)22(31)26-17(13-20(29)30)19(28)15-34-14-16-7-5-4-6-8-16/h4-9,11,17-18H,3,10,12-15H2,1-2H3,(H,24,25)(H,26,31)(H,29,30)/t17-,18?/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 1.10n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human caspase-1 in neuronal precursor (NT2) cells


Bioorg Med Chem Lett 15: 1173-80 (2005)

More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (human))
BDBM50160973
PNG
((S)-5-Benzylsulfanyl-4-oxo-3-(2-{2-oxo-3-[(thiazol...)
Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCc2cncs2)c1=O
Show InChI InChI=1S/C24H27N5O5S2/c1-2-19(29-9-8-26-22(24(29)34)27-12-17-11-25-15-36-17)23(33)28-18(10-21(31)32)20(30)14-35-13-16-6-4-3-5-7-16/h3-9,11,15,18-19H,2,10,12-14H2,1H3,(H,26,27)(H,28,33)(H,31,32)/t18-,19?/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 0.0120n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human caspase-3 in neuronal precursor (NT2) cells


Bioorg Med Chem Lett 15: 1173-80 (2005)

More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (human))
BDBM50160958
PNG
((S)-5-Benzylsulfanyl-3-{2-[3-(2-methoxy-ethylamino...)
Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCCOC)c1=O
Show InChI InChI=1S/C23H30N4O6S/c1-3-18(27-11-9-24-21(23(27)32)25-10-12-33-2)22(31)26-17(13-20(29)30)19(28)15-34-14-16-7-5-4-6-8-16/h4-9,11,17-18H,3,10,12-15H2,1-2H3,(H,24,25)(H,26,31)(H,29,30)/t17-,18?/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 0.140n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human caspase-3 in neuronal precursor (NT2) cells


Bioorg Med Chem Lett 15: 1173-80 (2005)

More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (human))
BDBM50160948
PNG
((S)-5-Benzylsulfanyl-4-oxo-3-(2-{2-oxo-3-[(thiazol...)
Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCc2nccs2)c1=O
Show InChI InChI=1S/C24H27N5O5S2/c1-2-18(29-10-8-26-22(24(29)34)27-13-20-25-9-11-36-20)23(33)28-17(12-21(31)32)19(30)15-35-14-16-6-4-3-5-7-16/h3-11,17-18H,2,12-15H2,1H3,(H,26,27)(H,28,33)(H,31,32)/t17-,18?/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 0.0260n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human caspase-3 in neuronal precursor (NT2) cells


Bioorg Med Chem Lett 15: 1173-80 (2005)

More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM50160948
PNG
((S)-5-Benzylsulfanyl-4-oxo-3-(2-{2-oxo-3-[(thiazol...)
Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCc2nccs2)c1=O
Show InChI InChI=1S/C24H27N5O5S2/c1-2-18(29-10-8-26-22(24(29)34)27-13-20-25-9-11-36-20)23(33)28-17(12-21(31)32)19(30)15-35-14-16-6-4-3-5-7-16/h3-11,17-18H,2,12-15H2,1H3,(H,26,27)(H,28,33)(H,31,32)/t17-,18?/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.80n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human caspase-8 in neuronal precursor (NT2) cells


Bioorg Med Chem Lett 15: 1173-80 (2005)

More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (human))
BDBM50160988
PNG
((S)-5-Benzylsulfanyl-3-{2-[3-(3-methoxy-propylamin...)
Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCCCOC)c1=O
Show InChI InChI=1S/C24H32N4O6S/c1-3-19(28-12-11-26-22(24(28)33)25-10-7-13-34-2)23(32)27-18(14-21(30)31)20(29)16-35-15-17-8-5-4-6-9-17/h4-6,8-9,11-12,18-19H,3,7,10,13-16H2,1-2H3,(H,25,26)(H,27,32)(H,30,31)/t18-,19?/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 0.0710n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human caspase-3 in neuronal precursor (NT2) cells


Bioorg Med Chem Lett 15: 1173-80 (2005)

More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (human))
BDBM50160948
PNG
((S)-5-Benzylsulfanyl-4-oxo-3-(2-{2-oxo-3-[(thiazol...)
Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCc2nccs2)c1=O
Show InChI InChI=1S/C24H27N5O5S2/c1-2-18(29-10-8-26-22(24(29)34)27-13-20-25-9-11-36-20)23(33)28-17(12-21(31)32)19(30)15-35-14-16-6-4-3-5-7-16/h3-11,17-18H,2,12-15H2,1H3,(H,26,27)(H,28,33)(H,31,32)/t17-,18?/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 0.130n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human caspase-1 in neuronal precursor (NT2) cells


Bioorg Med Chem Lett 15: 1173-80 (2005)

More data for this
Ligand-Target Pair
Caspase-7


(Homo sapiens (human))
BDBM50160948
PNG
((S)-5-Benzylsulfanyl-4-oxo-3-(2-{2-oxo-3-[(thiazol...)
Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCc2nccs2)c1=O
Show InChI InChI=1S/C24H27N5O5S2/c1-2-18(29-10-8-26-22(24(29)34)27-13-20-25-9-11-36-20)23(33)28-17(12-21(31)32)19(30)15-35-14-16-6-4-3-5-7-16/h3-11,17-18H,2,12-15H2,1H3,(H,26,27)(H,28,33)(H,31,32)/t17-,18?/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 1.10n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human caspase-7 in neuronal precursor (NT2) cells


Bioorg Med Chem Lett 15: 1173-80 (2005)

More data for this
Ligand-Target Pair
Caspase-7


(Homo sapiens (human))
BDBM50160958
PNG
((S)-5-Benzylsulfanyl-3-{2-[3-(2-methoxy-ethylamino...)
Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCCOC)c1=O
Show InChI InChI=1S/C23H30N4O6S/c1-3-18(27-11-9-24-21(23(27)32)25-10-12-33-2)22(31)26-17(13-20(29)30)19(28)15-34-14-16-7-5-4-6-8-16/h4-9,11,17-18H,3,10,12-15H2,1-2H3,(H,24,25)(H,26,31)(H,29,30)/t17-,18?/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a>10n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human caspase-7 in neuronal precursor (NT2) cells


Bioorg Med Chem Lett 15: 1173-80 (2005)

More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM50160958
PNG
((S)-5-Benzylsulfanyl-3-{2-[3-(2-methoxy-ethylamino...)
Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCCOC)c1=O
Show InChI InChI=1S/C23H30N4O6S/c1-3-18(27-11-9-24-21(23(27)32)25-10-12-33-2)22(31)26-17(13-20(29)30)19(28)15-34-14-16-7-5-4-6-8-16/h4-9,11,17-18H,3,10,12-15H2,1-2H3,(H,24,25)(H,26,31)(H,29,30)/t17-,18?/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>10n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human caspase-8 in neuronal precursor (NT2) cells


Bioorg Med Chem Lett 15: 1173-80 (2005)

More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM50160973
PNG
((S)-5-Benzylsulfanyl-4-oxo-3-(2-{2-oxo-3-[(thiazol...)
Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCc2cncs2)c1=O
Show InChI InChI=1S/C24H27N5O5S2/c1-2-19(29-9-8-26-22(24(29)34)27-12-17-11-25-15-36-17)23(33)28-18(10-21(31)32)20(30)14-35-13-16-6-4-3-5-7-16/h3-9,11,15,18-19H,2,10,12-14H2,1H3,(H,26,27)(H,28,33)(H,31,32)/t18-,19?/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 6.60n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human caspase-8 in neuronal precursor (NT2) cells


Bioorg Med Chem Lett 15: 1173-80 (2005)

More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (human))
BDBM50160973
PNG
((S)-5-Benzylsulfanyl-4-oxo-3-(2-{2-oxo-3-[(thiazol...)
Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCc2cncs2)c1=O
Show InChI InChI=1S/C24H27N5O5S2/c1-2-19(29-9-8-26-22(24(29)34)27-12-17-11-25-15-36-17)23(33)28-18(10-21(31)32)20(30)14-35-13-16-6-4-3-5-7-16/h3-9,11,15,18-19H,2,10,12-14H2,1H3,(H,26,27)(H,28,33)(H,31,32)/t18-,19?/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 0.190n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human caspase-1 in neuronal precursor (NT2) cells


Bioorg Med Chem Lett 15: 1173-80 (2005)

More data for this
Ligand-Target Pair
Caspase-7


(Homo sapiens (human))
BDBM50160973
PNG
((S)-5-Benzylsulfanyl-4-oxo-3-(2-{2-oxo-3-[(thiazol...)
Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCc2cncs2)c1=O
Show InChI InChI=1S/C24H27N5O5S2/c1-2-19(29-9-8-26-22(24(29)34)27-12-17-11-25-15-36-17)23(33)28-18(10-21(31)32)20(30)14-35-13-16-6-4-3-5-7-16/h3-9,11,15,18-19H,2,10,12-14H2,1H3,(H,26,27)(H,28,33)(H,31,32)/t18-,19?/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 0.490n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human caspase-7 in neuronal precursor (NT2) cells


Bioorg Med Chem Lett 15: 1173-80 (2005)

More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM50160988
PNG
((S)-5-Benzylsulfanyl-3-{2-[3-(3-methoxy-propylamin...)
Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCCCOC)c1=O
Show InChI InChI=1S/C24H32N4O6S/c1-3-19(28-12-11-26-22(24(28)33)25-10-7-13-34-2)23(32)27-18(14-21(30)31)20(29)16-35-15-17-8-5-4-6-9-17/h4-6,8-9,11-12,18-19H,3,7,10,13-16H2,1-2H3,(H,25,26)(H,27,32)(H,30,31)/t18-,19?/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 7.70n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human caspase-8 in neuronal precursor (NT2) cells


Bioorg Med Chem Lett 15: 1173-80 (2005)

More data for this
Ligand-Target Pair