Found 60 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Caspase-3
(Homo sapiens (Human)) | BDBM50200302
((S)-5-(2-(methoxymethyl)pyrrolidin-1-ylsulfonyl)-1...)Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(C)C(=O)C(=O)c2c1 |r| Show InChI InChI=1S/C15H18N2O5S/c1-16-13-6-5-11(8-12(13)14(18)15(16)19)23(20,21)17-7-3-4-10(17)9-22-2/h5-6,8,10H,3-4,7,9H2,1-2H3/t10-/m0/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/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Westfälische Wilhelms-Universität
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant caspase 3 |
Bioorg Med Chem 17: 2680-8 (2009)
Article DOI: 10.1016/j.bmc.2009.02.048
BindingDB Entry DOI: 10.7270/Q25Q4W0P |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50257248
((S)-5-[1-(2-Methoxymethylpyrrolidinyl)sulfonyl]-1-...)Show SMILES CCCN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1CCC[C@H]1COC |r| Show InChI InChI=1S/C17H22N2O5S/c1-3-8-18-15-7-6-13(10-14(15)16(20)17(18)21)25(22,23)19-9-4-5-12(19)11-24-2/h6-7,10,12H,3-5,8-9,11H2,1-2H3/t12-/m0/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/a | n/a | 5.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Westfälische Wilhelms-Universität
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant caspase 3 |
Bioorg Med Chem 17: 2680-8 (2009)
Article DOI: 10.1016/j.bmc.2009.02.048
BindingDB Entry DOI: 10.7270/Q25Q4W0P |
More data for this
Ligand-Target Pair | |
Caspase-7
(Homo sapiens (Human)) | BDBM50257356
((S)-1-(3-Fluorobutyl)-5-[1-(2-methoxymethylpyrroli...)Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCC(C)F)C(=O)C(=O)c2c1 |r| Show InChI InChI=1S/C18H23FN2O5S/c1-12(19)7-9-20-16-6-5-14(10-15(16)17(22)18(20)23)27(24,25)21-8-3-4-13(21)11-26-2/h5-6,10,12-13H,3-4,7-9,11H2,1-2H3/t12?,13-/m0/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/a | n/a | 6.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Westfälische Wilhelms-Universität
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant caspase 7 |
Bioorg Med Chem 17: 2680-8 (2009)
Article DOI: 10.1016/j.bmc.2009.02.048
BindingDB Entry DOI: 10.7270/Q25Q4W0P |
More data for this
Ligand-Target Pair | |
Caspase-7
(Homo sapiens (Human)) | BDBM50257249
((S)-1-Butyl-5-[1-(2-methoxymethylpyrrolidinyl)sulf...)Show SMILES CCCCN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1CCC[C@H]1COC |r| Show InChI InChI=1S/C18H24N2O5S/c1-3-4-9-19-16-8-7-14(11-15(16)17(21)18(19)22)26(23,24)20-10-5-6-13(20)12-25-2/h7-8,11,13H,3-6,9-10,12H2,1-2H3/t13-/m0/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/a | n/a | 8.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Westfälische Wilhelms-Universität
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant caspase 7 |
Bioorg Med Chem 17: 2680-8 (2009)
Article DOI: 10.1016/j.bmc.2009.02.048
BindingDB Entry DOI: 10.7270/Q25Q4W0P |
More data for this
Ligand-Target Pair | |
Caspase-7
(Homo sapiens (Human)) | BDBM50257298
((S)-1-(4-Hydroxybutyl)-5-[1-(2-methoxymethylpyrrol...)Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCCCO)C(=O)C(=O)c2c1 |r| Show InChI InChI=1S/C18H24N2O6S/c1-26-12-13-5-4-9-20(13)27(24,25)14-6-7-16-15(11-14)17(22)18(23)19(16)8-2-3-10-21/h6-7,11,13,21H,2-5,8-10,12H2,1H3/t13-/m0/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/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Westfälische Wilhelms-Universität
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant caspase 7 |
Bioorg Med Chem 17: 2680-8 (2009)
Article DOI: 10.1016/j.bmc.2009.02.048
BindingDB Entry DOI: 10.7270/Q25Q4W0P |
More data for this
Ligand-Target Pair | |
Caspase-7
(Homo sapiens (Human)) | BDBM50257421
((S)-4-Trifluoromethylbenzyl-5-[1-(2-methoxymethylp...)Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(Cc3ccc(cc3)C(F)(F)F)C(=O)C(=O)c2c1 |r| Show InChI InChI=1S/C22H21F3N2O5S/c1-32-13-16-3-2-10-27(16)33(30,31)17-8-9-19-18(11-17)20(28)21(29)26(19)12-14-4-6-15(7-5-14)22(23,24)25/h4-9,11,16H,2-3,10,12-13H2,1H3/t16-/m0/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/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Westfälische Wilhelms-Universität
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant caspase 7 |
Bioorg Med Chem 17: 2680-8 (2009)
Article DOI: 10.1016/j.bmc.2009.02.048
BindingDB Entry DOI: 10.7270/Q25Q4W0P |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50256799
((S)-1-(3-Chloro-2-hydroxypropyl)-5-[1-(2-methoxyme...)Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CC(O)CCl)C(=O)C(=O)c2c1 |r| Show InChI InChI=1S/C17H21ClN2O6S/c1-26-10-11-3-2-6-20(11)27(24,25)13-4-5-15-14(7-13)16(22)17(23)19(15)9-12(21)8-18/h4-5,7,11-12,21H,2-3,6,8-10H2,1H3/t11-,12?/m0/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/a | n/a | 13.3 | n/a | n/a | n/a | n/a | n/a | n/a |
Westfälische Wilhelms-Universität
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant caspase 3 |
Bioorg Med Chem 17: 2680-8 (2009)
Article DOI: 10.1016/j.bmc.2009.02.048
BindingDB Entry DOI: 10.7270/Q25Q4W0P |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50257356
((S)-1-(3-Fluorobutyl)-5-[1-(2-methoxymethylpyrroli...)Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCC(C)F)C(=O)C(=O)c2c1 |r| Show InChI InChI=1S/C18H23FN2O5S/c1-12(19)7-9-20-16-6-5-14(10-15(16)17(22)18(20)23)27(24,25)21-8-3-4-13(21)11-26-2/h5-6,10,12-13H,3-4,7-9,11H2,1-2H3/t12?,13-/m0/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/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Westfälische Wilhelms-Universität
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant caspase 3 |
Bioorg Med Chem 17: 2680-8 (2009)
Article DOI: 10.1016/j.bmc.2009.02.048
BindingDB Entry DOI: 10.7270/Q25Q4W0P |
More data for this
Ligand-Target Pair | |
Caspase-7
(Homo sapiens (Human)) | BDBM50257355
((S)-1-(4-Fluorobutyl)-5-[1-(2-methoxymethylpyrroli...)Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCCCF)C(=O)C(=O)c2c1 |r| Show InChI InChI=1S/C18H23FN2O5S/c1-26-12-13-5-4-10-21(13)27(24,25)14-6-7-16-15(11-14)17(22)18(23)20(16)9-3-2-8-19/h6-7,11,13H,2-5,8-10,12H2,1H3/t13-/m0/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/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Westfälische Wilhelms-Universität
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant caspase 7 |
Bioorg Med Chem 17: 2680-8 (2009)
Article DOI: 10.1016/j.bmc.2009.02.048
BindingDB Entry DOI: 10.7270/Q25Q4W0P |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50257249
((S)-1-Butyl-5-[1-(2-methoxymethylpyrrolidinyl)sulf...)Show SMILES CCCCN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1CCC[C@H]1COC |r| Show InChI InChI=1S/C18H24N2O5S/c1-3-4-9-19-16-8-7-14(11-15(16)17(21)18(19)22)26(23,24)20-10-5-6-13(20)12-25-2/h7-8,11,13H,3-6,9-10,12H2,1-2H3/t13-/m0/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/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Westfälische Wilhelms-Universität
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant caspase 3 |
Bioorg Med Chem 17: 2680-8 (2009)
Article DOI: 10.1016/j.bmc.2009.02.048
BindingDB Entry DOI: 10.7270/Q25Q4W0P |
More data for this
Ligand-Target Pair | |
Caspase-7
(Homo sapiens (Human)) | BDBM50257299
((S)-4-{5-[1-(2-Methoxymethylpyrrolidinyl)sulfonyl]...)Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCCCOS(=O)(=O)c3ccc(C)cc3)C(=O)C(=O)c2c1 |r| Show InChI InChI=1S/C25H30N2O8S2/c1-18-7-9-20(10-8-18)37(32,33)35-15-4-3-13-26-23-12-11-21(16-22(23)24(28)25(26)29)36(30,31)27-14-5-6-19(27)17-34-2/h7-12,16,19H,3-6,13-15,17H2,1-2H3/t19-/m0/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/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Westfälische Wilhelms-Universität
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant caspase 7 |
Bioorg Med Chem 17: 2680-8 (2009)
Article DOI: 10.1016/j.bmc.2009.02.048
BindingDB Entry DOI: 10.7270/Q25Q4W0P |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50257298
((S)-1-(4-Hydroxybutyl)-5-[1-(2-methoxymethylpyrrol...)Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCCCO)C(=O)C(=O)c2c1 |r| Show InChI InChI=1S/C18H24N2O6S/c1-26-12-13-5-4-9-20(13)27(24,25)14-6-7-16-15(11-14)17(22)18(23)19(16)8-2-3-10-21/h6-7,11,13,21H,2-5,8-10,12H2,1H3/t13-/m0/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/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Westfälische Wilhelms-Universität
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant caspase 3 |
Bioorg Med Chem 17: 2680-8 (2009)
Article DOI: 10.1016/j.bmc.2009.02.048
BindingDB Entry DOI: 10.7270/Q25Q4W0P |
More data for this
Ligand-Target Pair | |
Caspase-7
(Homo sapiens (Human)) | BDBM50256800
((S)-5-[1-(2-Methoxymethylpyrrolidinyl)sulfonyl]-1-...)Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCC(F)(F)F)C(=O)C(=O)c2c1 |r| Show InChI InChI=1S/C17H19F3N2O5S/c1-27-10-11-3-2-7-22(11)28(25,26)12-4-5-14-13(9-12)15(23)16(24)21(14)8-6-17(18,19)20/h4-5,9,11H,2-3,6-8,10H2,1H3/t11-/m0/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/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Westfälische Wilhelms-Universität
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant caspase 7 |
Bioorg Med Chem 17: 2680-8 (2009)
Article DOI: 10.1016/j.bmc.2009.02.048
BindingDB Entry DOI: 10.7270/Q25Q4W0P |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50257355
((S)-1-(4-Fluorobutyl)-5-[1-(2-methoxymethylpyrroli...)Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCCCF)C(=O)C(=O)c2c1 |r| Show InChI InChI=1S/C18H23FN2O5S/c1-26-12-13-5-4-10-21(13)27(24,25)14-6-7-16-15(11-14)17(22)18(23)20(16)9-3-2-8-19/h6-7,11,13H,2-5,8-10,12H2,1H3/t13-/m0/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/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
Westfälische Wilhelms-Universität
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant caspase 3 |
Bioorg Med Chem 17: 2680-8 (2009)
Article DOI: 10.1016/j.bmc.2009.02.048
BindingDB Entry DOI: 10.7270/Q25Q4W0P |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50257422
((S)-3,5-Bis-trifluoromethylbenzyl-5-[1-(2-methoxym...)Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(Cc3cc(cc(c3)C(F)(F)F)C(F)(F)F)C(=O)C(=O)c2c1 |r| Show InChI InChI=1S/C23H20F6N2O5S/c1-36-12-16-3-2-6-31(16)37(34,35)17-4-5-19-18(10-17)20(32)21(33)30(19)11-13-7-14(22(24,25)26)9-15(8-13)23(27,28)29/h4-5,7-10,16H,2-3,6,11-12H2,1H3/t16-/m0/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/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
Westfälische Wilhelms-Universität
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant caspase 3 |
Bioorg Med Chem 17: 2680-8 (2009)
Article DOI: 10.1016/j.bmc.2009.02.048
BindingDB Entry DOI: 10.7270/Q25Q4W0P |
More data for this
Ligand-Target Pair | |
Caspase-7
(Homo sapiens (Human)) | BDBM50257420
((S)-4-Fluorobenzyl-5-[1-(2-methoxymethylpyrrolidin...)Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(Cc3ccc(F)cc3)C(=O)C(=O)c2c1 |r| Show InChI InChI=1S/C21H21FN2O5S/c1-29-13-16-3-2-10-24(16)30(27,28)17-8-9-19-18(11-17)20(25)21(26)23(19)12-14-4-6-15(22)7-5-14/h4-9,11,16H,2-3,10,12-13H2,1H3/t16-/m0/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/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Westfälische Wilhelms-Universität
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant caspase 7 |
Bioorg Med Chem 17: 2680-8 (2009)
Article DOI: 10.1016/j.bmc.2009.02.048
BindingDB Entry DOI: 10.7270/Q25Q4W0P |
More data for this
Ligand-Target Pair | |
Caspase-7
(Homo sapiens (Human)) | BDBM50257295
((S)-1-(3-Hydroxypropyl)-5-[1-(2-methoxymethylpyrro...)Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCCO)C(=O)C(=O)c2c1 |r| Show InChI InChI=1S/C17H22N2O6S/c1-25-11-12-4-2-8-19(12)26(23,24)13-5-6-15-14(10-13)16(21)17(22)18(15)7-3-9-20/h5-6,10,12,20H,2-4,7-9,11H2,1H3/t12-/m0/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/a | n/a | 52 | n/a | n/a | n/a | n/a | n/a | n/a |
Westfälische Wilhelms-Universität
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant caspase 7 |
Bioorg Med Chem 17: 2680-8 (2009)
Article DOI: 10.1016/j.bmc.2009.02.048
BindingDB Entry DOI: 10.7270/Q25Q4W0P |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50257299
((S)-4-{5-[1-(2-Methoxymethylpyrrolidinyl)sulfonyl]...)Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCCCOS(=O)(=O)c3ccc(C)cc3)C(=O)C(=O)c2c1 |r| Show InChI InChI=1S/C25H30N2O8S2/c1-18-7-9-20(10-8-18)37(32,33)35-15-4-3-13-26-23-12-11-21(16-22(23)24(28)25(26)29)36(30,31)27-14-5-6-19(27)17-34-2/h7-12,16,19H,3-6,13-15,17H2,1-2H3/t19-/m0/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/a | n/a | 56 | n/a | n/a | n/a | n/a | n/a | n/a |
Westfälische Wilhelms-Universität
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant caspase 3 |
Bioorg Med Chem 17: 2680-8 (2009)
Article DOI: 10.1016/j.bmc.2009.02.048
BindingDB Entry DOI: 10.7270/Q25Q4W0P |
More data for this
Ligand-Target Pair | |
Caspase-7
(Homo sapiens (Human)) | BDBM50257248
((S)-5-[1-(2-Methoxymethylpyrrolidinyl)sulfonyl]-1-...)Show SMILES CCCN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1CCC[C@H]1COC |r| Show InChI InChI=1S/C17H22N2O5S/c1-3-8-18-15-7-6-13(10-14(15)16(20)17(18)21)25(22,23)19-9-4-5-12(19)11-24-2/h6-7,10,12H,3-5,8-9,11H2,1-2H3/t12-/m0/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/a | n/a | 58 | n/a | n/a | n/a | n/a | n/a | n/a |
Westfälische Wilhelms-Universität
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant caspase 7 |
Bioorg Med Chem 17: 2680-8 (2009)
Article DOI: 10.1016/j.bmc.2009.02.048
BindingDB Entry DOI: 10.7270/Q25Q4W0P |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50256867
((S)-1-(11,11-Difluoroundecyl)-5-[1-(2-methoxymethy...)Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCCCCCCCCCC(F)F)C(=O)C(=O)c2c1 |r| Show InChI InChI=1S/C25H36F2N2O5S/c1-34-18-19-11-10-16-29(19)35(32,33)20-13-14-22-21(17-20)24(30)25(31)28(22)15-9-7-5-3-2-4-6-8-12-23(26)27/h13-14,17,19,23H,2-12,15-16,18H2,1H3/t19-/m0/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/a | n/a | 66 | n/a | n/a | n/a | n/a | n/a | n/a |
Westfälische Wilhelms-Universität
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant caspase 3 |
Bioorg Med Chem 17: 2680-8 (2009)
Article DOI: 10.1016/j.bmc.2009.02.048
BindingDB Entry DOI: 10.7270/Q25Q4W0P |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50257295
((S)-1-(3-Hydroxypropyl)-5-[1-(2-methoxymethylpyrro...)Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCCO)C(=O)C(=O)c2c1 |r| Show InChI InChI=1S/C17H22N2O6S/c1-25-11-12-4-2-8-19(12)26(23,24)13-5-6-15-14(10-13)16(21)17(22)18(15)7-3-9-20/h5-6,10,12,20H,2-4,7-9,11H2,1H3/t12-/m0/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/a | n/a | 78 | n/a | n/a | n/a | n/a | n/a | n/a |
Westfälische Wilhelms-Universität
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant caspase 3 |
Bioorg Med Chem 17: 2680-8 (2009)
Article DOI: 10.1016/j.bmc.2009.02.048
BindingDB Entry DOI: 10.7270/Q25Q4W0P |
More data for this
Ligand-Target Pair | |
Caspase-7
(Homo sapiens (Human)) | BDBM50257250
((S)-1-(3-Chloropropyl)-5-[1-(2-methoxymethylpyrrol...)Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCCCl)C(=O)C(=O)c2c1 |r| Show InChI InChI=1S/C17H21ClN2O5S/c1-25-11-12-4-2-9-20(12)26(23,24)13-5-6-15-14(10-13)16(21)17(22)19(15)8-3-7-18/h5-6,10,12H,2-4,7-9,11H2,1H3/t12-/m0/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/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
Westfälische Wilhelms-Universität
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant caspase 7 |
Bioorg Med Chem 17: 2680-8 (2009)
Article DOI: 10.1016/j.bmc.2009.02.048
BindingDB Entry DOI: 10.7270/Q25Q4W0P |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50257421
((S)-4-Trifluoromethylbenzyl-5-[1-(2-methoxymethylp...)Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(Cc3ccc(cc3)C(F)(F)F)C(=O)C(=O)c2c1 |r| Show InChI InChI=1S/C22H21F3N2O5S/c1-32-13-16-3-2-10-27(16)33(30,31)17-8-9-19-18(11-17)20(28)21(29)26(19)12-14-4-6-15(7-5-14)22(23,24)25/h4-9,11,16H,2-3,10,12-13H2,1H3/t16-/m0/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/a | n/a | 82 | n/a | n/a | n/a | n/a | n/a | n/a |
Westfälische Wilhelms-Universität
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant caspase 3 |
Bioorg Med Chem 17: 2680-8 (2009)
Article DOI: 10.1016/j.bmc.2009.02.048
BindingDB Entry DOI: 10.7270/Q25Q4W0P |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50257419
((S)-5-[1-(2-Methoxymethylpyrrolidinyl)sulfonyl]-1-...)Show SMILES [#6]-[#8]-[#6]-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1S(=O)(=O)c1ccc2-[#7](-[#6]-[#6]\[#6](F)=[#6](/F)F)-[#6](=O)-[#6](=O)-c2c1 |r| Show InChI InChI=1S/C18H19F3N2O5S/c1-28-10-11-3-2-7-23(11)29(26,27)12-4-5-15-13(9-12)16(24)18(25)22(15)8-6-14(19)17(20)21/h4-5,9,11H,2-3,6-8,10H2,1H3/t11-/m0/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/a | n/a | 83 | n/a | n/a | n/a | n/a | n/a | n/a |
Westfälische Wilhelms-Universität
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant caspase 3 |
Bioorg Med Chem 17: 2680-8 (2009)
Article DOI: 10.1016/j.bmc.2009.02.048
BindingDB Entry DOI: 10.7270/Q25Q4W0P |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50257250
((S)-1-(3-Chloropropyl)-5-[1-(2-methoxymethylpyrrol...)Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCCCl)C(=O)C(=O)c2c1 |r| Show InChI InChI=1S/C17H21ClN2O5S/c1-25-11-12-4-2-9-20(12)26(23,24)13-5-6-15-14(10-13)16(21)17(22)19(15)8-3-7-18/h5-6,10,12H,2-4,7-9,11H2,1H3/t12-/m0/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/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
Westfälische Wilhelms-Universität
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant caspase 3 |
Bioorg Med Chem 17: 2680-8 (2009)
Article DOI: 10.1016/j.bmc.2009.02.048
BindingDB Entry DOI: 10.7270/Q25Q4W0P |
More data for this
Ligand-Target Pair | |
Caspase-7
(Homo sapiens (Human)) | BDBM50256814
((S)-5-[1-(2-Methoxymethylpyrrolidinyl)sulfonyl]-1-...)Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCCC(F)(F)F)C(=O)C(=O)c2c1 |r| Show InChI InChI=1S/C18H21F3N2O5S/c1-28-11-12-4-2-9-23(12)29(26,27)13-5-6-15-14(10-13)16(24)17(25)22(15)8-3-7-18(19,20)21/h5-6,10,12H,2-4,7-9,11H2,1H3/t12-/m0/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/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Westfälische Wilhelms-Universität
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant caspase 7 |
Bioorg Med Chem 17: 2680-8 (2009)
Article DOI: 10.1016/j.bmc.2009.02.048
BindingDB Entry DOI: 10.7270/Q25Q4W0P |
More data for this
Ligand-Target Pair | |
Caspase-7
(Homo sapiens (Human)) | BDBM50256867
((S)-1-(11,11-Difluoroundecyl)-5-[1-(2-methoxymethy...)Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCCCCCCCCCC(F)F)C(=O)C(=O)c2c1 |r| Show InChI InChI=1S/C25H36F2N2O5S/c1-34-18-19-11-10-16-29(19)35(32,33)20-13-14-22-21(17-20)24(30)25(31)28(22)15-9-7-5-3-2-4-6-8-12-23(26)27/h13-14,17,19,23H,2-12,15-16,18H2,1H3/t19-/m0/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/a | n/a | 111 | n/a | n/a | n/a | n/a | n/a | n/a |
Westfälische Wilhelms-Universität
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant caspase 7 |
Bioorg Med Chem 17: 2680-8 (2009)
Article DOI: 10.1016/j.bmc.2009.02.048
BindingDB Entry DOI: 10.7270/Q25Q4W0P |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM10305
((S)-5-[1-(2-Methoxymethyl)pyrrolidinylsulfonyl]isa...)Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2NC(=O)C(=O)c2c1 |r| Show InChI InChI=1S/C14H16N2O5S/c1-21-8-9-3-2-6-16(9)22(19,20)10-4-5-12-11(7-10)13(17)14(18)15-12/h4-5,7,9H,2-3,6,8H2,1H3,(H,15,17,18)/t9-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Westfälische Wilhelms-Universität
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant caspase 3 |
Bioorg Med Chem 17: 2680-8 (2009)
Article DOI: 10.1016/j.bmc.2009.02.048
BindingDB Entry DOI: 10.7270/Q25Q4W0P |
More data for this
Ligand-Target Pair | |
Caspase-7
(Homo sapiens (Human)) | BDBM50256799
((S)-1-(3-Chloro-2-hydroxypropyl)-5-[1-(2-methoxyme...)Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CC(O)CCl)C(=O)C(=O)c2c1 |r| Show InChI InChI=1S/C17H21ClN2O6S/c1-26-10-11-3-2-6-20(11)27(24,25)13-4-5-15-14(7-13)16(22)17(23)19(15)9-12(21)8-18/h4-5,7,11-12,21H,2-3,6,8-10H2,1H3/t11-,12?/m0/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/a | n/a | 123 | n/a | n/a | n/a | n/a | n/a | n/a |
Westfälische Wilhelms-Universität
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant caspase 7 |
Bioorg Med Chem 17: 2680-8 (2009)
Article DOI: 10.1016/j.bmc.2009.02.048
BindingDB Entry DOI: 10.7270/Q25Q4W0P |
More data for this
Ligand-Target Pair | |
Caspase-7
(Homo sapiens (Human)) | BDBM50257297
((S)-3-{5-[1-(2-Methoxymethylpyrrolidinyl)sulfonyl]...)Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCC(O)=O)C(=O)C(=O)c2c1 |r| Show InChI InChI=1S/C17H20N2O7S/c1-26-10-11-3-2-7-19(11)27(24,25)12-4-5-14-13(9-12)16(22)17(23)18(14)8-6-15(20)21/h4-5,9,11H,2-3,6-8,10H2,1H3,(H,20,21)/t11-/m0/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/a | n/a | 129 | n/a | n/a | n/a | n/a | n/a | n/a |
Westfälische Wilhelms-Universität
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant caspase 7 |
Bioorg Med Chem 17: 2680-8 (2009)
Article DOI: 10.1016/j.bmc.2009.02.048
BindingDB Entry DOI: 10.7270/Q25Q4W0P |
More data for this
Ligand-Target Pair | |
Caspase-7
(Homo sapiens (Human)) | BDBM50257422
((S)-3,5-Bis-trifluoromethylbenzyl-5-[1-(2-methoxym...)Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(Cc3cc(cc(c3)C(F)(F)F)C(F)(F)F)C(=O)C(=O)c2c1 |r| Show InChI InChI=1S/C23H20F6N2O5S/c1-36-12-16-3-2-6-31(16)37(34,35)17-4-5-19-18(10-17)20(32)21(33)30(19)11-13-7-14(22(24,25)26)9-15(8-13)23(27,28)29/h4-5,7-10,16H,2-3,6,11-12H2,1H3/t16-/m0/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/a | n/a | 135 | n/a | n/a | n/a | n/a | n/a | n/a |
Westfälische Wilhelms-Universität
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant caspase 7 |
Bioorg Med Chem 17: 2680-8 (2009)
Article DOI: 10.1016/j.bmc.2009.02.048
BindingDB Entry DOI: 10.7270/Q25Q4W0P |
More data for this
Ligand-Target Pair | |
Caspase-7
(Homo sapiens (Human)) | BDBM10305
((S)-5-[1-(2-Methoxymethyl)pyrrolidinylsulfonyl]isa...)Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2NC(=O)C(=O)c2c1 |r| Show InChI InChI=1S/C14H16N2O5S/c1-21-8-9-3-2-6-16(9)22(19,20)10-4-5-12-11(7-10)13(17)14(18)15-12/h4-5,7,9H,2-3,6,8H2,1H3,(H,15,17,18)/t9-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
Westfälische Wilhelms-Universität
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant caspase 7 |
Bioorg Med Chem 17: 2680-8 (2009)
Article DOI: 10.1016/j.bmc.2009.02.048
BindingDB Entry DOI: 10.7270/Q25Q4W0P |
More data for this
Ligand-Target Pair | |
Caspase-7
(Homo sapiens (Human)) | BDBM50257419
((S)-5-[1-(2-Methoxymethylpyrrolidinyl)sulfonyl]-1-...)Show SMILES [#6]-[#8]-[#6]-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1S(=O)(=O)c1ccc2-[#7](-[#6]-[#6]\[#6](F)=[#6](/F)F)-[#6](=O)-[#6](=O)-c2c1 |r| Show InChI InChI=1S/C18H19F3N2O5S/c1-28-10-11-3-2-7-23(11)29(26,27)12-4-5-15-13(9-12)16(24)18(25)22(15)8-6-14(19)17(20)21/h4-5,9,11H,2-3,6-8,10H2,1H3/t11-/m0/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/a | n/a | 178 | n/a | n/a | n/a | n/a | n/a | n/a |
Westfälische Wilhelms-Universität
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant caspase 7 |
Bioorg Med Chem 17: 2680-8 (2009)
Article DOI: 10.1016/j.bmc.2009.02.048
BindingDB Entry DOI: 10.7270/Q25Q4W0P |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50257247
((S)-1-Ethyl-5-[1-(2-methoxymethylpyrrolidinyl)sulf...)Show SMILES CCN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1CCC[C@H]1COC |r| Show InChI InChI=1S/C16H20N2O5S/c1-3-17-14-7-6-12(9-13(14)15(19)16(17)20)24(21,22)18-8-4-5-11(18)10-23-2/h6-7,9,11H,3-5,8,10H2,1-2H3/t11-/m0/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/a | n/a | 183 | n/a | n/a | n/a | n/a | n/a | n/a |
Westfälische Wilhelms-Universität
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant caspase 3 |
Bioorg Med Chem 17: 2680-8 (2009)
Article DOI: 10.1016/j.bmc.2009.02.048
BindingDB Entry DOI: 10.7270/Q25Q4W0P |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50257297
((S)-3-{5-[1-(2-Methoxymethylpyrrolidinyl)sulfonyl]...)Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCC(O)=O)C(=O)C(=O)c2c1 |r| Show InChI InChI=1S/C17H20N2O7S/c1-26-10-11-3-2-7-19(11)27(24,25)12-4-5-14-13(9-12)16(22)17(23)18(14)8-6-15(20)21/h4-5,9,11H,2-3,6-8,10H2,1H3,(H,20,21)/t11-/m0/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/a | n/a | 187 | n/a | n/a | n/a | n/a | n/a | n/a |
Westfälische Wilhelms-Universität
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant caspase 3 |
Bioorg Med Chem 17: 2680-8 (2009)
Article DOI: 10.1016/j.bmc.2009.02.048
BindingDB Entry DOI: 10.7270/Q25Q4W0P |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50257420
((S)-4-Fluorobenzyl-5-[1-(2-methoxymethylpyrrolidin...)Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(Cc3ccc(F)cc3)C(=O)C(=O)c2c1 |r| Show InChI InChI=1S/C21H21FN2O5S/c1-29-13-16-3-2-10-24(16)30(27,28)17-8-9-19-18(11-17)20(25)21(26)23(19)12-14-4-6-15(22)7-5-14/h4-9,11,16H,2-3,10,12-13H2,1H3/t16-/m0/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/a | n/a | 191 | n/a | n/a | n/a | n/a | n/a | n/a |
Westfälische Wilhelms-Universität
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant caspase 3 |
Bioorg Med Chem 17: 2680-8 (2009)
Article DOI: 10.1016/j.bmc.2009.02.048
BindingDB Entry DOI: 10.7270/Q25Q4W0P |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50256814
((S)-5-[1-(2-Methoxymethylpyrrolidinyl)sulfonyl]-1-...)Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCCC(F)(F)F)C(=O)C(=O)c2c1 |r| Show InChI InChI=1S/C18H21F3N2O5S/c1-28-11-12-4-2-9-23(12)29(26,27)13-5-6-15-14(10-13)16(24)17(25)22(15)8-3-7-18(19,20)21/h5-6,10,12H,2-4,7-9,11H2,1H3/t12-/m0/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/a | n/a | 213 | n/a | n/a | n/a | n/a | n/a | n/a |
Westfälische Wilhelms-Universität
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant caspase 3 |
Bioorg Med Chem 17: 2680-8 (2009)
Article DOI: 10.1016/j.bmc.2009.02.048
BindingDB Entry DOI: 10.7270/Q25Q4W0P |
More data for this
Ligand-Target Pair | |
Caspase-7
(Homo sapiens (Human)) | BDBM50257296
((S)-3-{5-[1-(2-Methoxymethylpyrrolidinyl)sulfonyl]...)Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCCOS(C)(=O)=O)C(=O)C(=O)c2c1 |r| Show InChI InChI=1S/C18H24N2O8S2/c1-27-12-13-5-3-9-20(13)30(25,26)14-6-7-16-15(11-14)17(21)18(22)19(16)8-4-10-28-29(2,23)24/h6-7,11,13H,3-5,8-10,12H2,1-2H3/t13-/m0/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/a | n/a | 217 | n/a | n/a | n/a | n/a | n/a | n/a |
Westfälische Wilhelms-Universität
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant caspase 7 |
Bioorg Med Chem 17: 2680-8 (2009)
Article DOI: 10.1016/j.bmc.2009.02.048
BindingDB Entry DOI: 10.7270/Q25Q4W0P |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50257296
((S)-3-{5-[1-(2-Methoxymethylpyrrolidinyl)sulfonyl]...)Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCCOS(C)(=O)=O)C(=O)C(=O)c2c1 |r| Show InChI InChI=1S/C18H24N2O8S2/c1-27-12-13-5-3-9-20(13)30(25,26)14-6-7-16-15(11-14)17(21)18(22)19(16)8-4-10-28-29(2,23)24/h6-7,11,13H,3-5,8-10,12H2,1-2H3/t13-/m0/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/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
Westfälische Wilhelms-Universität
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant caspase 3 |
Bioorg Med Chem 17: 2680-8 (2009)
Article DOI: 10.1016/j.bmc.2009.02.048
BindingDB Entry DOI: 10.7270/Q25Q4W0P |
More data for this
Ligand-Target Pair | |
Caspase-7
(Homo sapiens (Human)) | BDBM50257357
((S)-1-(2-Fluoroallyl)-5-[1-(2-methoxymethylpyrroli...)Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CC(F)=C)C(=O)C(=O)c2c1 |r| Show InChI InChI=1S/C17H19FN2O5S/c1-11(18)9-19-15-6-5-13(8-14(15)16(21)17(19)22)26(23,24)20-7-3-4-12(20)10-25-2/h5-6,8,12H,1,3-4,7,9-10H2,2H3/t12-/m0/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/a | n/a | 266 | n/a | n/a | n/a | n/a | n/a | n/a |
Westfälische Wilhelms-Universität
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant caspase 7 |
Bioorg Med Chem 17: 2680-8 (2009)
Article DOI: 10.1016/j.bmc.2009.02.048
BindingDB Entry DOI: 10.7270/Q25Q4W0P |
More data for this
Ligand-Target Pair | |
Caspase-7
(Homo sapiens (Human)) | BDBM50200302
((S)-5-(2-(methoxymethyl)pyrrolidin-1-ylsulfonyl)-1...)Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(C)C(=O)C(=O)c2c1 |r| Show InChI InChI=1S/C15H18N2O5S/c1-16-13-6-5-11(8-12(13)14(18)15(16)19)23(20,21)17-7-3-4-10(17)9-22-2/h5-6,8,10H,3-4,7,9H2,1-2H3/t10-/m0/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/a | n/a | 304 | n/a | n/a | n/a | n/a | n/a | n/a |
Westfälische Wilhelms-Universität
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant caspase 7 |
Bioorg Med Chem 17: 2680-8 (2009)
Article DOI: 10.1016/j.bmc.2009.02.048
BindingDB Entry DOI: 10.7270/Q25Q4W0P |
More data for this
Ligand-Target Pair | |
Caspase-7
(Homo sapiens (Human)) | BDBM50257247
((S)-1-Ethyl-5-[1-(2-methoxymethylpyrrolidinyl)sulf...)Show SMILES CCN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1CCC[C@H]1COC |r| Show InChI InChI=1S/C16H20N2O5S/c1-3-17-14-7-6-12(9-13(14)15(19)16(17)20)24(21,22)18-8-4-5-11(18)10-23-2/h6-7,9,11H,3-5,8,10H2,1-2H3/t11-/m0/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/a | n/a | 319 | n/a | n/a | n/a | n/a | n/a | n/a |
Westfälische Wilhelms-Universität
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant caspase 7 |
Bioorg Med Chem 17: 2680-8 (2009)
Article DOI: 10.1016/j.bmc.2009.02.048
BindingDB Entry DOI: 10.7270/Q25Q4W0P |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50256800
((S)-5-[1-(2-Methoxymethylpyrrolidinyl)sulfonyl]-1-...)Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCC(F)(F)F)C(=O)C(=O)c2c1 |r| Show InChI InChI=1S/C17H19F3N2O5S/c1-27-10-11-3-2-7-22(11)28(25,26)12-4-5-14-13(9-12)15(23)16(24)21(14)8-6-17(18,19)20/h4-5,9,11H,2-3,6-8,10H2,1H3/t11-/m0/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/a | n/a | 359 | n/a | n/a | n/a | n/a | n/a | n/a |
Westfälische Wilhelms-Universität
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant caspase 3 |
Bioorg Med Chem 17: 2680-8 (2009)
Article DOI: 10.1016/j.bmc.2009.02.048
BindingDB Entry DOI: 10.7270/Q25Q4W0P |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50257357
((S)-1-(2-Fluoroallyl)-5-[1-(2-methoxymethylpyrroli...)Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CC(F)=C)C(=O)C(=O)c2c1 |r| Show InChI InChI=1S/C17H19FN2O5S/c1-11(18)9-19-15-6-5-13(8-14(15)16(21)17(19)22)26(23,24)20-7-3-4-12(20)10-25-2/h5-6,8,12H,1,3-4,7,9-10H2,2H3/t12-/m0/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/a | n/a | 499 | n/a | n/a | n/a | n/a | n/a | n/a |
Westfälische Wilhelms-Universität
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant caspase 3 |
Bioorg Med Chem 17: 2680-8 (2009)
Article DOI: 10.1016/j.bmc.2009.02.048
BindingDB Entry DOI: 10.7270/Q25Q4W0P |
More data for this
Ligand-Target Pair | |
Caspase-7
(Homo sapiens (Human)) | BDBM50257354
((S)-1-(3-Fluoropropyl)-5-[1-(2-methoxymethylpyrrol...)Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCCF)C(=O)C(=O)c2c1 |r| Show InChI InChI=1S/C17H21FN2O5S/c1-25-11-12-4-2-9-20(12)26(23,24)13-5-6-15-14(10-13)16(21)17(22)19(15)8-3-7-18/h5-6,10,12H,2-4,7-9,11H2,1H3/t12-/m0/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/a | n/a | 1.44E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Westfälische Wilhelms-Universität
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant caspase 7 |
Bioorg Med Chem 17: 2680-8 (2009)
Article DOI: 10.1016/j.bmc.2009.02.048
BindingDB Entry DOI: 10.7270/Q25Q4W0P |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50257353
((S)-1-(2-Fluoroethyl)-5-[1-(2-methoxymethylpyrroli...)Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCF)C(=O)C(=O)c2c1 |r| Show InChI InChI=1S/C16H19FN2O5S/c1-24-10-11-3-2-7-19(11)25(22,23)12-4-5-14-13(9-12)15(20)16(21)18(14)8-6-17/h4-5,9,11H,2-3,6-8,10H2,1H3/t11-/m0/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/a | n/a | 1.84E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Westfälische Wilhelms-Universität
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant caspase 3 |
Bioorg Med Chem 17: 2680-8 (2009)
Article DOI: 10.1016/j.bmc.2009.02.048
BindingDB Entry DOI: 10.7270/Q25Q4W0P |
More data for this
Ligand-Target Pair | |
Caspase-7
(Homo sapiens (Human)) | BDBM50257353
((S)-1-(2-Fluoroethyl)-5-[1-(2-methoxymethylpyrroli...)Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCF)C(=O)C(=O)c2c1 |r| Show InChI InChI=1S/C16H19FN2O5S/c1-24-10-11-3-2-7-19(11)25(22,23)12-4-5-14-13(9-12)15(20)16(21)18(14)8-6-17/h4-5,9,11H,2-3,6-8,10H2,1H3/t11-/m0/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/a | n/a | 2.94E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Westfälische Wilhelms-Universität
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant caspase 7 |
Bioorg Med Chem 17: 2680-8 (2009)
Article DOI: 10.1016/j.bmc.2009.02.048
BindingDB Entry DOI: 10.7270/Q25Q4W0P |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50257354
((S)-1-(3-Fluoropropyl)-5-[1-(2-methoxymethylpyrrol...)Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCCF)C(=O)C(=O)c2c1 |r| Show InChI InChI=1S/C17H21FN2O5S/c1-25-11-12-4-2-9-20(12)26(23,24)13-5-6-15-14(10-13)16(21)17(22)19(15)8-3-7-18/h5-6,10,12H,2-4,7-9,11H2,1H3/t12-/m0/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/a | n/a | 5.12E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Westfälische Wilhelms-Universität
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant caspase 3 |
Bioorg Med Chem 17: 2680-8 (2009)
Article DOI: 10.1016/j.bmc.2009.02.048
BindingDB Entry DOI: 10.7270/Q25Q4W0P |
More data for this
Ligand-Target Pair | |
Caspase-7
(Homo sapiens (Human)) | BDBM50257480
((S)-3,3-Difluoro-1-(3-fluoropropyl)-5-[1-(2-methox...)Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCCF)CC(F)(F)c2c1 |r| Show InChI InChI=1S/C17H23F3N2O3S/c1-25-11-13-4-2-9-22(13)26(23,24)14-5-6-16-15(10-14)17(19,20)12-21(16)8-3-7-18/h5-6,10,13H,2-4,7-9,11-12H2,1H3/t13-/m0/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/a | n/a | 5.64E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Westfälische Wilhelms-Universität
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant caspase 7 |
Bioorg Med Chem 17: 2680-8 (2009)
Article DOI: 10.1016/j.bmc.2009.02.048
BindingDB Entry DOI: 10.7270/Q25Q4W0P |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50257480
((S)-3,3-Difluoro-1-(3-fluoropropyl)-5-[1-(2-methox...)Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCCF)CC(F)(F)c2c1 |r| Show InChI InChI=1S/C17H23F3N2O3S/c1-25-11-13-4-2-9-22(13)26(23,24)14-5-6-16-15(10-14)17(19,20)12-21(16)8-3-7-18/h5-6,10,13H,2-4,7-9,11-12H2,1H3/t13-/m0/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/a | n/a | 6.08E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Westfälische Wilhelms-Universität
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant caspase 3 |
Bioorg Med Chem 17: 2680-8 (2009)
Article DOI: 10.1016/j.bmc.2009.02.048
BindingDB Entry DOI: 10.7270/Q25Q4W0P |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50257482
((S)-1-{3-[3-(2-Fluoroethoxy)propoxy]propyl}-5-[1-(...)Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCCOCCCOCCF)C(=O)C(=O)c2c1 |r| Show InChI InChI=1S/C22H31FN2O7S/c1-30-16-17-5-2-10-25(17)33(28,29)18-6-7-20-19(15-18)21(26)22(27)24(20)9-3-11-31-12-4-13-32-14-8-23/h6-7,15,17H,2-5,8-14,16H2,1H3/t17-/m0/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/a | n/a | 9.43E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Westfälische Wilhelms-Universität
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant caspase 3 |
Bioorg Med Chem 17: 2680-8 (2009)
Article DOI: 10.1016/j.bmc.2009.02.048
BindingDB Entry DOI: 10.7270/Q25Q4W0P |
More data for this
Ligand-Target Pair | |
Caspase-7
(Homo sapiens (Human)) | BDBM50257482
((S)-1-{3-[3-(2-Fluoroethoxy)propoxy]propyl}-5-[1-(...)Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCCOCCCOCCF)C(=O)C(=O)c2c1 |r| Show InChI InChI=1S/C22H31FN2O7S/c1-30-16-17-5-2-10-25(17)33(28,29)18-6-7-20-19(15-18)21(26)22(27)24(20)9-3-11-31-12-4-13-32-14-8-23/h6-7,15,17H,2-5,8-14,16H2,1H3/t17-/m0/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/a | n/a | 1.94E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Westfälische Wilhelms-Universität
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant caspase 7 |
Bioorg Med Chem 17: 2680-8 (2009)
Article DOI: 10.1016/j.bmc.2009.02.048
BindingDB Entry DOI: 10.7270/Q25Q4W0P |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50257481
((S)-1-[3-(3-Hydroxypropoxy)propyl]-5-[1-(2-methoxy...)Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCCOCCCO)C(=O)C(=O)c2c1 |r| Show InChI InChI=1S/C20H28N2O7S/c1-28-14-15-5-2-9-22(15)30(26,27)16-6-7-18-17(13-16)19(24)20(25)21(18)8-3-11-29-12-4-10-23/h6-7,13,15,23H,2-5,8-12,14H2,1H3/t15-/m0/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/a | n/a | 6.09E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Westfälische Wilhelms-Universität
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant caspase 3 |
Bioorg Med Chem 17: 2680-8 (2009)
Article DOI: 10.1016/j.bmc.2009.02.048
BindingDB Entry DOI: 10.7270/Q25Q4W0P |
More data for this
Ligand-Target Pair | |
Caspase-7
(Homo sapiens (Human)) | BDBM50256798
((S)-1-[3-(3-Fluoropropoxy)propyl]-5-[1-(2-methoxym...)Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCCOCCCF)C(=O)C(=O)c2c1 |r| Show InChI InChI=1S/C20H27FN2O6S/c1-28-14-15-5-2-10-23(15)30(26,27)16-6-7-18-17(13-16)19(24)20(25)22(18)9-4-12-29-11-3-8-21/h6-7,13,15H,2-5,8-12,14H2,1H3/t15-/m0/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/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Westfälische Wilhelms-Universität
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant caspase 7 |
Bioorg Med Chem 17: 2680-8 (2009)
Article DOI: 10.1016/j.bmc.2009.02.048
BindingDB Entry DOI: 10.7270/Q25Q4W0P |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50256798
((S)-1-[3-(3-Fluoropropoxy)propyl]-5-[1-(2-methoxym...)Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCCOCCCF)C(=O)C(=O)c2c1 |r| Show InChI InChI=1S/C20H27FN2O6S/c1-28-14-15-5-2-10-23(15)30(26,27)16-6-7-18-17(13-16)19(24)20(25)22(18)9-4-12-29-11-3-8-21/h6-7,13,15H,2-5,8-12,14H2,1H3/t15-/m0/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/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Westfälische Wilhelms-Universität
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant caspase 3 |
Bioorg Med Chem 17: 2680-8 (2009)
Article DOI: 10.1016/j.bmc.2009.02.048
BindingDB Entry DOI: 10.7270/Q25Q4W0P |
More data for this
Ligand-Target Pair | |
Caspase-7
(Homo sapiens (Human)) | BDBM50257479
((S)-3,3-Difluoro-1-propyl-5-[1-(2-methoxymethylpyr...)Show SMILES CCCN1CC(F)(F)c2cc(ccc12)S(=O)(=O)N1CCC[C@H]1COC |r| Show InChI InChI=1S/C17H24F2N2O3S/c1-3-8-20-12-17(18,19)15-10-14(6-7-16(15)20)25(22,23)21-9-4-5-13(21)11-24-2/h6-7,10,13H,3-5,8-9,11-12H2,1-2H3/t13-/m0/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/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Westfälische Wilhelms-Universität
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant caspase 7 |
Bioorg Med Chem 17: 2680-8 (2009)
Article DOI: 10.1016/j.bmc.2009.02.048
BindingDB Entry DOI: 10.7270/Q25Q4W0P |
More data for this
Ligand-Target Pair | |
Caspase-7
(Homo sapiens (Human)) | BDBM50256797
((S)-3-{3-[5-(1-(2-Methoxymethylpyrrolidinyl)sulfon...)Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCCOCCCOS(C)(=O)=O)C(=O)C(=O)c2c1 |r| Show InChI InChI=1S/C21H30N2O9S2/c1-30-15-16-6-3-10-23(16)34(28,29)17-7-8-19-18(14-17)20(24)21(25)22(19)9-4-11-31-12-5-13-32-33(2,26)27/h7-8,14,16H,3-6,9-13,15H2,1-2H3/t16-/m0/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/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Westfälische Wilhelms-Universität
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant caspase 7 |
Bioorg Med Chem 17: 2680-8 (2009)
Article DOI: 10.1016/j.bmc.2009.02.048
BindingDB Entry DOI: 10.7270/Q25Q4W0P |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50256797
((S)-3-{3-[5-(1-(2-Methoxymethylpyrrolidinyl)sulfon...)Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCCOCCCOS(C)(=O)=O)C(=O)C(=O)c2c1 |r| Show InChI InChI=1S/C21H30N2O9S2/c1-30-15-16-6-3-10-23(16)34(28,29)17-7-8-19-18(14-17)20(24)21(25)22(19)9-4-11-31-12-5-13-32-33(2,26)27/h7-8,14,16H,3-6,9-13,15H2,1-2H3/t16-/m0/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/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Westfälische Wilhelms-Universität
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant caspase 3 |
Bioorg Med Chem 17: 2680-8 (2009)
Article DOI: 10.1016/j.bmc.2009.02.048
BindingDB Entry DOI: 10.7270/Q25Q4W0P |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50257479
((S)-3,3-Difluoro-1-propyl-5-[1-(2-methoxymethylpyr...)Show SMILES CCCN1CC(F)(F)c2cc(ccc12)S(=O)(=O)N1CCC[C@H]1COC |r| Show InChI InChI=1S/C17H24F2N2O3S/c1-3-8-20-12-17(18,19)15-10-14(6-7-16(15)20)25(22,23)21-9-4-5-13(21)11-24-2/h6-7,10,13H,3-5,8-9,11-12H2,1-2H3/t13-/m0/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/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Westfälische Wilhelms-Universität
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant caspase 3 |
Bioorg Med Chem 17: 2680-8 (2009)
Article DOI: 10.1016/j.bmc.2009.02.048
BindingDB Entry DOI: 10.7270/Q25Q4W0P |
More data for this
Ligand-Target Pair | |
Caspase-7
(Homo sapiens (Human)) | BDBM50257481
((S)-1-[3-(3-Hydroxypropoxy)propyl]-5-[1-(2-methoxy...)Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCCOCCCO)C(=O)C(=O)c2c1 |r| Show InChI InChI=1S/C20H28N2O7S/c1-28-14-15-5-2-9-22(15)30(26,27)16-6-7-18-17(13-16)19(24)20(25)21(18)8-3-11-29-12-4-10-23/h6-7,13,15,23H,2-5,8-12,14H2,1H3/t15-/m0/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/a | n/a | 1.13E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Westfälische Wilhelms-Universität
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant caspase 7 |
Bioorg Med Chem 17: 2680-8 (2009)
Article DOI: 10.1016/j.bmc.2009.02.048
BindingDB Entry DOI: 10.7270/Q25Q4W0P |
More data for this
Ligand-Target Pair | |
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