Found 52 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 |
|---|
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50105236
(6-Chloro-2-methyl-1,1-dioxo-1,2,3,4-tetrahydro-1la...)Show SMILES CN1C(Cc2cc(Cl)ccc2S1(=O)=O)C(=O)N[C@@H](Cc1ccccc1)C=O Show InChI InChI=1S/C19H19ClN2O4S/c1-22-17(11-14-10-15(20)7-8-18(14)27(22,25)26)19(24)21-16(12-23)9-13-5-3-2-4-6-13/h2-8,10,12,16-17H,9,11H2,1H3,(H,21,24)/t16-,17?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity towards human calpain I |
J Med Chem 44: 3488-503 (2001)
BindingDB Entry DOI: 10.7270/Q2G44PKR |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50105229
(2-Methyl-1,1-dioxo-1,2,6,7-tetrahydro-5,8-dioxa-1l...)Show SMILES CN1C(=Cc2cc3OCCOc3cc2S1(=O)=O)C(=O)N[C@@H](Cc1ccccc1)C=O |c:2| Show InChI InChI=1S/C21H20N2O6S/c1-23-17(21(25)22-16(13-24)9-14-5-3-2-4-6-14)10-15-11-18-19(29-8-7-28-18)12-20(15)30(23,26)27/h2-6,10-13,16H,7-9H2,1H3,(H,22,25)/t16-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity towards human calpain I |
J Med Chem 44: 3488-503 (2001)
BindingDB Entry DOI: 10.7270/Q2G44PKR |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50105241
(6,7-Dichloro-2-methyl-1,1-dioxo-1,2,3,4-tetrahydro...)Show SMILES CN1C(Cc2cc(Cl)c(Cl)cc2S1(=O)=O)C(=O)N[C@@H](Cc1ccccc1)C=O Show InChI InChI=1S/C19H18Cl2N2O4S/c1-23-17(9-13-8-15(20)16(21)10-18(13)28(23,26)27)19(25)22-14(11-24)7-12-5-3-2-4-6-12/h2-6,8,10-11,14,17H,7,9H2,1H3,(H,22,25)/t14-,17?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity towards human calpain I |
J Med Chem 44: 3488-503 (2001)
BindingDB Entry DOI: 10.7270/Q2G44PKR |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50105231
((3S) 2-Ethyl-1,1-dioxo-1,2,3,4,6,7-hexahydro-5,8-d...)Show SMILES CCN1C(Cc2cc3OCCOc3cc2S1(=O)=O)C(=O)N[C@@H](Cc1ccccc1)C=O Show InChI InChI=1S/C22H24N2O6S/c1-2-24-18(22(26)23-17(14-25)10-15-6-4-3-5-7-15)11-16-12-19-20(30-9-8-29-19)13-21(16)31(24,27)28/h3-7,12-14,17-18H,2,8-11H2,1H3,(H,23,26)/t17-,18?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity towards human calpain I |
J Med Chem 44: 3488-503 (2001)
BindingDB Entry DOI: 10.7270/Q2G44PKR |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50105244
(2-Ethyl-1,1-dioxo-1,2,6,7-tetrahydro-5,8-dioxa-1la...)Show SMILES CCN1C(=Cc2cc3OCCOc3cc2S1(=O)=O)C(=O)N[C@@H](Cc1ccccc1)C=O |c:3| Show InChI InChI=1S/C22H22N2O6S/c1-2-24-18(22(26)23-17(14-25)10-15-6-4-3-5-7-15)11-16-12-19-20(30-9-8-29-19)13-21(16)31(24,27)28/h3-7,11-14,17H,2,8-10H2,1H3,(H,23,26)/t17-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity towards human calpain I |
J Med Chem 44: 3488-503 (2001)
BindingDB Entry DOI: 10.7270/Q2G44PKR |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50105230
(CHEMBL117639 | N-(1-Benzyl-2-oxo-ethyl)-3-benzylox...)Show SMILES CS(=O)(=O)NC(COCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C=O Show InChI InChI=1S/C20H24N2O5S/c1-28(25,26)22-19(15-27-14-17-10-6-3-7-11-17)20(24)21-18(13-23)12-16-8-4-2-5-9-16/h2-11,13,18-19,22H,12,14-15H2,1H3,(H,21,24)/t18-,19?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against calpain-I |
J Med Chem 44: 3488-503 (2001)
BindingDB Entry DOI: 10.7270/Q2G44PKR |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50105236
(6-Chloro-2-methyl-1,1-dioxo-1,2,3,4-tetrahydro-1la...)Show SMILES CN1C(Cc2cc(Cl)ccc2S1(=O)=O)C(=O)N[C@@H](Cc1ccccc1)C=O Show InChI InChI=1S/C19H19ClN2O4S/c1-22-17(11-14-10-15(20)7-8-18(14)27(22,25)26)19(24)21-16(12-23)9-13-5-3-2-4-6-13/h2-8,10,12,16-17H,9,11H2,1H3,(H,21,24)/t16-,17?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity towards human calpain I |
J Med Chem 44: 3488-503 (2001)
BindingDB Entry DOI: 10.7270/Q2G44PKR |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50105249
(6,7-Dichloro-2-methyl-1,1-dioxo-1,2-dihydro-1lambd...)Show SMILES CN1C(=Cc2cc(Cl)c(Cl)cc2S1(=O)=O)C(=O)N[C@@H](Cc1ccccc1)C=O |c:2| Show InChI InChI=1S/C19H16Cl2N2O4S/c1-23-17(9-13-8-15(20)16(21)10-18(13)28(23,26)27)19(25)22-14(11-24)7-12-5-3-2-4-6-12/h2-6,8-11,14H,7H2,1H3,(H,22,25)/t14-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity towards human calpain I |
J Med Chem 44: 3488-503 (2001)
BindingDB Entry DOI: 10.7270/Q2G44PKR |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50105234
(2-Benzenesulfonylamino-N-(1-benzyl-2-oxo-ethyl)-3-...)Show SMILES O=C[C@H](Cc1ccccc1)NC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C24H24N2O4S/c27-18-21(16-19-10-4-1-5-11-19)25-24(28)23(17-20-12-6-2-7-13-20)26-31(29,30)22-14-8-3-9-15-22/h1-15,18,21,23,26H,16-17H2,(H,25,28)/t21-,23?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against calpain-I |
J Med Chem 44: 3488-503 (2001)
BindingDB Entry DOI: 10.7270/Q2G44PKR |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50105241
(6,7-Dichloro-2-methyl-1,1-dioxo-1,2,3,4-tetrahydro...)Show SMILES CN1C(Cc2cc(Cl)c(Cl)cc2S1(=O)=O)C(=O)N[C@@H](Cc1ccccc1)C=O Show InChI InChI=1S/C19H18Cl2N2O4S/c1-23-17(9-13-8-15(20)16(21)10-18(13)28(23,26)27)19(25)22-14(11-24)7-12-5-3-2-4-6-12/h2-6,8,10-11,14,17H,7,9H2,1H3,(H,22,25)/t14-,17?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity towards human calpain I |
J Med Chem 44: 3488-503 (2001)
BindingDB Entry DOI: 10.7270/Q2G44PKR |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50105238
(2-Methyl-1,1-dioxo-1,2,3,4,6,7-hexahydro-5,8-dioxa...)Show SMILES CN1C(Cc2cc3OCCOc3cc2S1(=O)=O)C(=O)N[C@@H](Cc1ccccc1)C=O Show InChI InChI=1S/C21H22N2O6S/c1-23-17(21(25)22-16(13-24)9-14-5-3-2-4-6-14)10-15-11-18-19(29-8-7-28-18)12-20(15)30(23,26)27/h2-6,11-13,16-17H,7-10H2,1H3,(H,22,25)/t16-,17?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity towards human calpain I |
J Med Chem 44: 3488-503 (2001)
BindingDB Entry DOI: 10.7270/Q2G44PKR |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50105245
(2-Methyl-1,1-dioxo-1,2,3,4-tetrahydro-1lambda*6*-b...)Show SMILES CN1C(Cc2ccccc2S1(=O)=O)C(=O)N[C@@H](Cc1ccccc1)C=O Show InChI InChI=1S/C19H20N2O4S/c1-21-17(12-15-9-5-6-10-18(15)26(21,24)25)19(23)20-16(13-22)11-14-7-3-2-4-8-14/h2-10,13,16-17H,11-12H2,1H3,(H,20,23)/t16-,17?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity towards human calpain I |
J Med Chem 44: 3488-503 (2001)
BindingDB Entry DOI: 10.7270/Q2G44PKR |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50105248
(1,1-Dioxo-1,2,6,7-tetrahydro-5,8-dioxa-1lambda*6*-...)Show SMILES O=C[C@H](Cc1ccccc1)NC(=O)C1=Nc2cc3OCCOc3cc2S(=O)(=O)N1 |t:14| Show InChI InChI=1S/C19H17N3O6S/c23-11-13(8-12-4-2-1-3-5-12)20-19(24)18-21-14-9-15-16(28-7-6-27-15)10-17(14)29(25,26)22-18/h1-5,9-11,13H,6-8H2,(H,20,24)(H,21,22)/t13-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity towards human calpain I |
J Med Chem 44: 3488-503 (2001)
BindingDB Entry DOI: 10.7270/Q2G44PKR |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50105247
(6-Fluoro-2-methyl-1,1-dioxo-1,2,3,4-tetrahydro-1la...)Show SMILES CN1C(Cc2cc(F)ccc2S1(=O)=O)C(=O)N[C@@H](Cc1ccccc1)C=O Show InChI InChI=1S/C19H19FN2O4S/c1-22-17(11-14-10-15(20)7-8-18(14)27(22,25)26)19(24)21-16(12-23)9-13-5-3-2-4-6-13/h2-8,10,12,16-17H,9,11H2,1H3,(H,21,24)/t16-,17?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity towards human calpain I |
J Med Chem 44: 3488-503 (2001)
BindingDB Entry DOI: 10.7270/Q2G44PKR |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50105228
(2-Isopropyl-1,1-dioxo-1,2,3,4,6,7-hexahydro-5,8-di...)Show SMILES CC(C)N1C(Cc2cc3OCCOc3cc2S1(=O)=O)C(=O)N[C@@H](Cc1ccccc1)C=O Show InChI InChI=1S/C23H26N2O6S/c1-15(2)25-19(23(27)24-18(14-26)10-16-6-4-3-5-7-16)11-17-12-20-21(31-9-8-30-20)13-22(17)32(25,28)29/h3-7,12-15,18-19H,8-11H2,1-2H3,(H,24,27)/t18-,19?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity towards human calpain I |
J Med Chem 44: 3488-503 (2001)
BindingDB Entry DOI: 10.7270/Q2G44PKR |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50105237
(2-Methyl-6-morpholin-4-yl-1,1-dioxo-1,2,3,4-tetrah...)Show SMILES CN1C(Cc2cc(ccc2S1(=O)=O)N1CCOCC1)C(=O)N[C@@H](Cc1ccccc1)C=O Show InChI InChI=1S/C23H27N3O5S/c1-25-21(23(28)24-19(16-27)13-17-5-3-2-4-6-17)15-18-14-20(26-9-11-31-12-10-26)7-8-22(18)32(25,29)30/h2-8,14,16,19,21H,9-13,15H2,1H3,(H,24,28)/t19-,21?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity towards human calpain I |
J Med Chem 44: 3488-503 (2001)
BindingDB Entry DOI: 10.7270/Q2G44PKR |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50105231
((3S) 2-Ethyl-1,1-dioxo-1,2,3,4,6,7-hexahydro-5,8-d...)Show SMILES CCN1C(Cc2cc3OCCOc3cc2S1(=O)=O)C(=O)N[C@@H](Cc1ccccc1)C=O Show InChI InChI=1S/C22H24N2O6S/c1-2-24-18(22(26)23-17(14-25)10-15-6-4-3-5-7-15)11-16-12-19-20(30-9-8-29-19)13-21(16)31(24,27)28/h3-7,12-14,17-18H,2,8-11H2,1H3,(H,23,26)/t17-,18?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity towards human calpain I |
J Med Chem 44: 3488-503 (2001)
BindingDB Entry DOI: 10.7270/Q2G44PKR |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50105235
(2-Methyl-1,1-dioxo-1,2,3,4,6,7-hexahydro-5,8-dioxa...)Show SMILES CN1C(Cc2cc3OCCOc3cc2S1(=O)=O)C(=O)N[C@@H](CCCCNS(=O)(=O)c1ccccc1)C=O Show InChI InChI=1S/C24H29N3O8S2/c1-27-20(13-17-14-21-22(35-12-11-34-21)15-23(17)37(27,32)33)24(29)26-18(16-28)7-5-6-10-25-36(30,31)19-8-3-2-4-9-19/h2-4,8-9,14-16,18,20,25H,5-7,10-13H2,1H3,(H,26,29)/t18-,20?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity towards human calpain I |
J Med Chem 44: 3488-503 (2001)
BindingDB Entry DOI: 10.7270/Q2G44PKR |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50105232
(4-Methoxy-2-methyl-1,1-dioxo-1,2-dihydro-1lambda*6...)Show SMILES COC1=C(N(C)S(=O)(=O)c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C=O |t:2| Show InChI InChI=1S/C20H20N2O5S/c1-22-18(19(27-2)16-10-6-7-11-17(16)28(22,25)26)20(24)21-15(13-23)12-14-8-4-3-5-9-14/h3-11,13,15H,12H2,1-2H3,(H,21,24)/t15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity towards human calpain I |
J Med Chem 44: 3488-503 (2001)
BindingDB Entry DOI: 10.7270/Q2G44PKR |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50105233
(2-Ethyl-1,1-dioxo-1,2,3,4,6,7-hexahydro-5,8-dioxa-...)Show SMILES CCN1C(Cc2cc3OCCOc3cc2S1(=O)=O)C(=O)N[C@@H](CC(C)C)C=O Show InChI InChI=1S/C19H26N2O6S/c1-4-21-15(19(23)20-14(11-22)7-12(2)3)8-13-9-16-17(27-6-5-26-16)10-18(13)28(21,24)25/h9-12,14-15H,4-8H2,1-3H3,(H,20,23)/t14-,15?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity towards human calpain I |
J Med Chem 44: 3488-503 (2001)
BindingDB Entry DOI: 10.7270/Q2G44PKR |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50105243
(6,7-Dimethoxy-2-methyl-1,1-dioxo-1,2,3,4-tetrahydr...)Show SMILES COc1cc2CC(N(C)S(=O)(=O)c2cc1OC)C(=O)N[C@@H](Cc1ccccc1)C=O Show InChI InChI=1S/C21H24N2O6S/c1-23-17(21(25)22-16(13-24)9-14-7-5-4-6-8-14)10-15-11-18(28-2)19(29-3)12-20(15)30(23,26)27/h4-8,11-13,16-17H,9-10H2,1-3H3,(H,22,25)/t16-,17?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity towards human calpain I |
J Med Chem 44: 3488-503 (2001)
BindingDB Entry DOI: 10.7270/Q2G44PKR |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50105246
(6,7-Dimethoxy-1,1-dioxo-3,4-dihydro-1H-1lambda*6*-...)Show SMILES COc1cc2CC(OS(=O)(=O)c2cc1OC)C(=O)N[C@@H](Cc1ccccc1)C=O Show InChI InChI=1S/C20H21NO7S/c1-26-16-9-14-10-18(28-29(24,25)19(14)11-17(16)27-2)20(23)21-15(12-22)8-13-6-4-3-5-7-13/h3-7,9,11-12,15,18H,8,10H2,1-2H3,(H,21,23)/t15-,18?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 51 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity towards human calpain I |
J Med Chem 44: 3488-503 (2001)
BindingDB Entry DOI: 10.7270/Q2G44PKR |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50105240
(1,1-Dioxo-1,2-dihydro-1lambda*6*-benzo[1,2,4]thiad...)Show SMILES O=C[C@H](Cc1ccccc1)NC(=O)C1=Nc2ccccc2S(=O)(=O)N1 |t:14| Show InChI InChI=1S/C17H15N3O4S/c21-11-13(10-12-6-2-1-3-7-12)18-17(22)16-19-14-8-4-5-9-15(14)25(23,24)20-16/h1-9,11,13H,10H2,(H,18,22)(H,19,20)/t13-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 83 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity towards human calpain I |
J Med Chem 44: 3488-503 (2001)
BindingDB Entry DOI: 10.7270/Q2G44PKR |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50105250
(2-Methyl-1-oxo-1,2,3,4-tetrahydro-isoquinoline-3-c...)Show SMILES CN1C(Cc2ccccc2C1=O)C(=O)N[C@@H](Cc1ccccc1)C=O Show InChI InChI=1S/C20H20N2O3/c1-22-18(12-15-9-5-6-10-17(15)20(22)25)19(24)21-16(13-23)11-14-7-3-2-4-8-14/h2-10,13,16,18H,11-12H2,1H3,(H,21,24)/t16-,18?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 85 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Compound was evaluated for inhibitory activity towards human calpain I isomer 1 |
J Med Chem 44: 3488-503 (2001)
BindingDB Entry DOI: 10.7270/Q2G44PKR |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50105235
(2-Methyl-1,1-dioxo-1,2,3,4,6,7-hexahydro-5,8-dioxa...)Show SMILES CN1C(Cc2cc3OCCOc3cc2S1(=O)=O)C(=O)N[C@@H](CCCCNS(=O)(=O)c1ccccc1)C=O Show InChI InChI=1S/C24H29N3O8S2/c1-27-20(13-17-14-21-22(35-12-11-34-21)15-23(17)37(27,32)33)24(29)26-18(16-28)7-5-6-10-25-36(30,31)19-8-3-2-4-9-19/h2-4,8-9,14-16,18,20,25H,5-7,10-13H2,1H3,(H,26,29)/t18-,20?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 107 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity towards human calpain I |
J Med Chem 44: 3488-503 (2001)
BindingDB Entry DOI: 10.7270/Q2G44PKR |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50105245
(2-Methyl-1,1-dioxo-1,2,3,4-tetrahydro-1lambda*6*-b...)Show SMILES CN1C(Cc2ccccc2S1(=O)=O)C(=O)N[C@@H](Cc1ccccc1)C=O Show InChI InChI=1S/C19H20N2O4S/c1-21-17(12-15-9-5-6-10-18(15)26(21,24)25)19(23)20-16(13-22)11-14-7-3-2-4-8-14/h2-10,13,16-17H,11-12H2,1H3,(H,20,23)/t16-,17?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity towards human calpain I |
J Med Chem 44: 3488-503 (2001)
BindingDB Entry DOI: 10.7270/Q2G44PKR |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50105242
(6,7-Dimethoxy-1,1-dioxo-3,4-dihydro-1H-1lambda*6*-...)Show SMILES COc1cc2CC(OS(=O)(=O)c2cc1OC)C(=O)N[C@@H](CC(C)C)C=O Show InChI InChI=1S/C17H23NO7S/c1-10(2)5-12(9-19)18-17(20)15-7-11-6-13(23-3)14(24-4)8-16(11)26(21,22)25-15/h6,8-10,12,15H,5,7H2,1-4H3,(H,18,20)/t12-,15?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity towards human calpain I |
J Med Chem 44: 3488-503 (2001)
BindingDB Entry DOI: 10.7270/Q2G44PKR |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50105251
(2-Benzyl-6,7-dimethoxy-1,1-dioxo-1,2,3,4-tetrahydr...)Show SMILES COc1cc2CC(N(Cc3ccccc3)S(=O)(=O)c2cc1OC)C(=O)N[C@@H](Cc1ccccc1)C=O Show InChI InChI=1S/C27H28N2O6S/c1-34-24-15-21-14-23(27(31)28-22(18-30)13-19-9-5-3-6-10-19)29(17-20-11-7-4-8-12-20)36(32,33)26(21)16-25(24)35-2/h3-12,15-16,18,22-23H,13-14,17H2,1-2H3,(H,28,31)/t22-,23?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity towards human calpain I |
J Med Chem 44: 3488-503 (2001)
BindingDB Entry DOI: 10.7270/Q2G44PKR |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50105243
(6,7-Dimethoxy-2-methyl-1,1-dioxo-1,2,3,4-tetrahydr...)Show SMILES COc1cc2CC(N(C)S(=O)(=O)c2cc1OC)C(=O)N[C@@H](Cc1ccccc1)C=O Show InChI InChI=1S/C21H24N2O6S/c1-23-17(21(25)22-16(13-24)9-14-7-5-4-6-8-14)10-15-11-18(28-2)19(29-3)12-20(15)30(23,26)27/h4-8,11-13,16-17H,9-10H2,1-3H3,(H,22,25)/t16-,17?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity towards human calpain I |
J Med Chem 44: 3488-503 (2001)
BindingDB Entry DOI: 10.7270/Q2G44PKR |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50105239
(6-Chloro-2-isobutyl-1,1-dioxo-1,2,3,4-tetrahydro-1...)Show SMILES CC(C)CN1C(Cc2cc(Cl)ccc2S1(=O)=O)C(=O)N[C@@H](Cc1ccccc1)C=O Show InChI InChI=1S/C22H25ClN2O4S/c1-15(2)13-25-20(12-17-11-18(23)8-9-21(17)30(25,28)29)22(27)24-19(14-26)10-16-6-4-3-5-7-16/h3-9,11,14-15,19-20H,10,12-13H2,1-2H3,(H,24,27)/t19-,20?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity towards human calpain I |
J Med Chem 44: 3488-503 (2001)
BindingDB Entry DOI: 10.7270/Q2G44PKR |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50105239
(6-Chloro-2-isobutyl-1,1-dioxo-1,2,3,4-tetrahydro-1...)Show SMILES CC(C)CN1C(Cc2cc(Cl)ccc2S1(=O)=O)C(=O)N[C@@H](Cc1ccccc1)C=O Show InChI InChI=1S/C22H25ClN2O4S/c1-15(2)13-25-20(12-17-11-18(23)8-9-21(17)30(25,28)29)22(27)24-19(14-26)10-16-6-4-3-5-7-16/h3-9,11,14-15,19-20H,10,12-13H2,1-2H3,(H,24,27)/t19-,20?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity towards human calpain I |
J Med Chem 44: 3488-503 (2001)
BindingDB Entry DOI: 10.7270/Q2G44PKR |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50105233
(2-Ethyl-1,1-dioxo-1,2,3,4,6,7-hexahydro-5,8-dioxa-...)Show SMILES CCN1C(Cc2cc3OCCOc3cc2S1(=O)=O)C(=O)N[C@@H](CC(C)C)C=O Show InChI InChI=1S/C19H26N2O6S/c1-4-21-15(19(23)20-14(11-22)7-12(2)3)8-13-9-16-17(27-6-5-26-16)10-18(13)28(21,24)25/h9-12,14-15H,4-8H2,1-3H3,(H,20,23)/t14-,15?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity towards human calpain I |
J Med Chem 44: 3488-503 (2001)
BindingDB Entry DOI: 10.7270/Q2G44PKR |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50105237
(2-Methyl-6-morpholin-4-yl-1,1-dioxo-1,2,3,4-tetrah...)Show SMILES CN1C(Cc2cc(ccc2S1(=O)=O)N1CCOCC1)C(=O)N[C@@H](Cc1ccccc1)C=O Show InChI InChI=1S/C23H27N3O5S/c1-25-21(23(28)24-19(16-27)13-17-5-3-2-4-6-17)15-18-14-20(26-9-11-31-12-10-26)7-8-22(18)32(25,29)30/h2-8,14,16,19,21H,9-13,15H2,1H3,(H,24,28)/t19-,21?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity towards human calpain I |
J Med Chem 44: 3488-503 (2001)
BindingDB Entry DOI: 10.7270/Q2G44PKR |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50105231
((3S) 2-Ethyl-1,1-dioxo-1,2,3,4,6,7-hexahydro-5,8-d...)Show SMILES CCN1C(Cc2cc3OCCOc3cc2S1(=O)=O)C(=O)N[C@@H](Cc1ccccc1)C=O Show InChI InChI=1S/C22H24N2O6S/c1-2-24-18(22(26)23-17(14-25)10-15-6-4-3-5-7-15)11-16-12-19-20(30-9-8-29-19)13-21(16)31(24,27)28/h3-7,12-14,17-18H,2,8-11H2,1H3,(H,23,26)/t17-,18?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory concentration against MOLT-4 cells (human T-cell leukemia cell line) |
J Med Chem 44: 3488-503 (2001)
BindingDB Entry DOI: 10.7270/Q2G44PKR |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50105252
(6,7-Dimethoxy-1,1-dioxo-1,2,3,4-tetrahydro-1lambda...)Show SMILES COc1cc2CC(NS(=O)(=O)c2cc1OC)C(=O)N[C@@H](Cc1ccccc1)C=O Show InChI InChI=1S/C20H22N2O6S/c1-27-17-10-14-9-16(22-29(25,26)19(14)11-18(17)28-2)20(24)21-15(12-23)8-13-6-4-3-5-7-13/h3-7,10-12,15-16,22H,8-9H2,1-2H3,(H,21,24)/t15-,16?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity towards human calpain I |
J Med Chem 44: 3488-503 (2001)
BindingDB Entry DOI: 10.7270/Q2G44PKR |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50105252
(6,7-Dimethoxy-1,1-dioxo-1,2,3,4-tetrahydro-1lambda...)Show SMILES COc1cc2CC(NS(=O)(=O)c2cc1OC)C(=O)N[C@@H](Cc1ccccc1)C=O Show InChI InChI=1S/C20H22N2O6S/c1-27-17-10-14-9-16(22-29(25,26)19(14)11-18(17)28-2)20(24)21-15(12-23)8-13-6-4-3-5-7-13/h3-7,10-12,15-16,22H,8-9H2,1-2H3,(H,21,24)/t15-,16?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity towards human calpain I |
J Med Chem 44: 3488-503 (2001)
BindingDB Entry DOI: 10.7270/Q2G44PKR |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50105229
(2-Methyl-1,1-dioxo-1,2,6,7-tetrahydro-5,8-dioxa-1l...)Show SMILES CN1C(=Cc2cc3OCCOc3cc2S1(=O)=O)C(=O)N[C@@H](Cc1ccccc1)C=O |c:2| Show InChI InChI=1S/C21H20N2O6S/c1-23-17(21(25)22-16(13-24)9-14-5-3-2-4-6-14)10-15-11-18-19(29-8-7-28-18)12-20(15)30(23,26)27/h2-6,10-13,16H,7-9H2,1H3,(H,22,25)/t16-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 900 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory concentration against MOLT-4 cells (human T-cell leukemia cell line) |
J Med Chem 44: 3488-503 (2001)
BindingDB Entry DOI: 10.7270/Q2G44PKR |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50105251
(2-Benzyl-6,7-dimethoxy-1,1-dioxo-1,2,3,4-tetrahydr...)Show SMILES COc1cc2CC(N(Cc3ccccc3)S(=O)(=O)c2cc1OC)C(=O)N[C@@H](Cc1ccccc1)C=O Show InChI InChI=1S/C27H28N2O6S/c1-34-24-15-21-14-23(27(31)28-22(18-30)13-19-9-5-3-6-10-19)29(17-20-11-7-4-8-12-20)36(32,33)26(21)16-25(24)35-2/h3-12,15-16,18,22-23H,13-14,17H2,1-2H3,(H,28,31)/t22-,23?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity towards human calpain I |
J Med Chem 44: 3488-503 (2001)
BindingDB Entry DOI: 10.7270/Q2G44PKR |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50105241
(6,7-Dichloro-2-methyl-1,1-dioxo-1,2,3,4-tetrahydro...)Show SMILES CN1C(Cc2cc(Cl)c(Cl)cc2S1(=O)=O)C(=O)N[C@@H](Cc1ccccc1)C=O Show InChI InChI=1S/C19H18Cl2N2O4S/c1-23-17(9-13-8-15(20)16(21)10-18(13)28(23,26)27)19(25)22-14(11-24)7-12-5-3-2-4-6-12/h2-6,8,10-11,14,17H,7,9H2,1H3,(H,22,25)/t14-,17?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory concentration against MOLT-4 cells (human T-cell leukemia cell line) |
J Med Chem 44: 3488-503 (2001)
BindingDB Entry DOI: 10.7270/Q2G44PKR |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50105245
(2-Methyl-1,1-dioxo-1,2,3,4-tetrahydro-1lambda*6*-b...)Show SMILES CN1C(Cc2ccccc2S1(=O)=O)C(=O)N[C@@H](Cc1ccccc1)C=O Show InChI InChI=1S/C19H20N2O4S/c1-21-17(12-15-9-5-6-10-18(15)26(21,24)25)19(23)20-16(13-22)11-14-7-3-2-4-8-14/h2-10,13,16-17H,11-12H2,1H3,(H,20,23)/t16-,17?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory concentration against MOLT-4 cells (human T-cell leukemia cell line) |
J Med Chem 44: 3488-503 (2001)
BindingDB Entry DOI: 10.7270/Q2G44PKR |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50105235
(2-Methyl-1,1-dioxo-1,2,3,4,6,7-hexahydro-5,8-dioxa...)Show SMILES CN1C(Cc2cc3OCCOc3cc2S1(=O)=O)C(=O)N[C@@H](CCCCNS(=O)(=O)c1ccccc1)C=O Show InChI InChI=1S/C24H29N3O8S2/c1-27-20(13-17-14-21-22(35-12-11-34-21)15-23(17)37(27,32)33)24(29)26-18(16-28)7-5-6-10-25-36(30,31)19-8-3-2-4-9-19/h2-4,8-9,14-16,18,20,25H,5-7,10-13H2,1H3,(H,26,29)/t18-,20?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory concentration against MOLT-4 cells (human T-cell leukemia cell line) |
J Med Chem 44: 3488-503 (2001)
BindingDB Entry DOI: 10.7270/Q2G44PKR |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50105243
(6,7-Dimethoxy-2-methyl-1,1-dioxo-1,2,3,4-tetrahydr...)Show SMILES COc1cc2CC(N(C)S(=O)(=O)c2cc1OC)C(=O)N[C@@H](Cc1ccccc1)C=O Show InChI InChI=1S/C21H24N2O6S/c1-23-17(21(25)22-16(13-24)9-14-7-5-4-6-8-14)10-15-11-18(28-2)19(29-3)12-20(15)30(23,26)27/h4-8,11-13,16-17H,9-10H2,1-3H3,(H,22,25)/t16-,17?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory concentration against MOLT-4 cells (human T-cell leukemia cell line) |
J Med Chem 44: 3488-503 (2001)
BindingDB Entry DOI: 10.7270/Q2G44PKR |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50105238
(2-Methyl-1,1-dioxo-1,2,3,4,6,7-hexahydro-5,8-dioxa...)Show SMILES CN1C(Cc2cc3OCCOc3cc2S1(=O)=O)C(=O)N[C@@H](Cc1ccccc1)C=O Show InChI InChI=1S/C21H22N2O6S/c1-23-17(21(25)22-16(13-24)9-14-5-3-2-4-6-14)10-15-11-18-19(29-8-7-28-18)12-20(15)30(23,26)27/h2-6,11-13,16-17H,7-10H2,1H3,(H,22,25)/t16-,17?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory concentration against MOLT-4 cells (human T-cell leukemia cell line) |
J Med Chem 44: 3488-503 (2001)
BindingDB Entry DOI: 10.7270/Q2G44PKR |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50105244
(2-Ethyl-1,1-dioxo-1,2,6,7-tetrahydro-5,8-dioxa-1la...)Show SMILES CCN1C(=Cc2cc3OCCOc3cc2S1(=O)=O)C(=O)N[C@@H](Cc1ccccc1)C=O |c:3| Show InChI InChI=1S/C22H22N2O6S/c1-2-24-18(22(26)23-17(14-25)10-15-6-4-3-5-7-15)11-16-12-19-20(30-9-8-29-19)13-21(16)31(24,27)28/h3-7,11-14,17H,2,8-10H2,1H3,(H,23,26)/t17-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory concentration against MOLT-4 cells (human T-cell leukemia cell line) |
J Med Chem 44: 3488-503 (2001)
BindingDB Entry DOI: 10.7270/Q2G44PKR |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50105236
(6-Chloro-2-methyl-1,1-dioxo-1,2,3,4-tetrahydro-1la...)Show SMILES CN1C(Cc2cc(Cl)ccc2S1(=O)=O)C(=O)N[C@@H](Cc1ccccc1)C=O Show InChI InChI=1S/C19H19ClN2O4S/c1-22-17(11-14-10-15(20)7-8-18(14)27(22,25)26)19(24)21-16(12-23)9-13-5-3-2-4-6-13/h2-8,10,12,16-17H,9,11H2,1H3,(H,21,24)/t16-,17?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory concentration against MOLT-4 cells (human T-cell leukemia cell line) |
J Med Chem 44: 3488-503 (2001)
BindingDB Entry DOI: 10.7270/Q2G44PKR |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50105246
(6,7-Dimethoxy-1,1-dioxo-3,4-dihydro-1H-1lambda*6*-...)Show SMILES COc1cc2CC(OS(=O)(=O)c2cc1OC)C(=O)N[C@@H](Cc1ccccc1)C=O Show InChI InChI=1S/C20H21NO7S/c1-26-16-9-14-10-18(28-29(24,25)19(14)11-17(16)27-2)20(23)21-15(12-22)8-13-6-4-3-5-7-13/h3-7,9,11-12,15,18H,8,10H2,1-2H3,(H,21,23)/t15-,18?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory concentration against MOLT-4 cells (human T-cell leukemia cell line) |
J Med Chem 44: 3488-503 (2001)
BindingDB Entry DOI: 10.7270/Q2G44PKR |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50105247
(6-Fluoro-2-methyl-1,1-dioxo-1,2,3,4-tetrahydro-1la...)Show SMILES CN1C(Cc2cc(F)ccc2S1(=O)=O)C(=O)N[C@@H](Cc1ccccc1)C=O Show InChI InChI=1S/C19H19FN2O4S/c1-22-17(11-14-10-15(20)7-8-18(14)27(22,25)26)19(24)21-16(12-23)9-13-5-3-2-4-6-13/h2-8,10,12,16-17H,9,11H2,1H3,(H,21,24)/t16-,17?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory concentration against MOLT-4 cells (human T-cell leukemia cell line) |
J Med Chem 44: 3488-503 (2001)
BindingDB Entry DOI: 10.7270/Q2G44PKR |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50105228
(2-Isopropyl-1,1-dioxo-1,2,3,4,6,7-hexahydro-5,8-di...)Show SMILES CC(C)N1C(Cc2cc3OCCOc3cc2S1(=O)=O)C(=O)N[C@@H](Cc1ccccc1)C=O Show InChI InChI=1S/C23H26N2O6S/c1-15(2)25-19(23(27)24-18(14-26)10-16-6-4-3-5-7-16)11-17-12-20-21(31-9-8-30-20)13-22(17)32(25,28)29/h3-7,12-15,18-19H,8-11H2,1-2H3,(H,24,27)/t18-,19?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory concentration against MOLT-4 cells (human T-cell leukemia cell line) |
J Med Chem 44: 3488-503 (2001)
BindingDB Entry DOI: 10.7270/Q2G44PKR |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50105249
(6,7-Dichloro-2-methyl-1,1-dioxo-1,2-dihydro-1lambd...)Show SMILES CN1C(=Cc2cc(Cl)c(Cl)cc2S1(=O)=O)C(=O)N[C@@H](Cc1ccccc1)C=O |c:2| Show InChI InChI=1S/C19H16Cl2N2O4S/c1-23-17(9-13-8-15(20)16(21)10-18(13)28(23,26)27)19(25)22-14(11-24)7-12-5-3-2-4-6-12/h2-6,8-11,14H,7H2,1H3,(H,22,25)/t14-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory concentration against MOLT-4 cells (human T-cell leukemia cell line) |
J Med Chem 44: 3488-503 (2001)
BindingDB Entry DOI: 10.7270/Q2G44PKR |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50105233
(2-Ethyl-1,1-dioxo-1,2,3,4,6,7-hexahydro-5,8-dioxa-...)Show SMILES CCN1C(Cc2cc3OCCOc3cc2S1(=O)=O)C(=O)N[C@@H](CC(C)C)C=O Show InChI InChI=1S/C19H26N2O6S/c1-4-21-15(19(23)20-14(11-22)7-12(2)3)8-13-9-16-17(27-6-5-26-16)10-18(13)28(21,24)25/h9-12,14-15H,4-8H2,1-3H3,(H,20,23)/t14-,15?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory concentration against MOLT-4 cells (human T-cell leukemia cell line) |
J Med Chem 44: 3488-503 (2001)
BindingDB Entry DOI: 10.7270/Q2G44PKR |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50105232
(4-Methoxy-2-methyl-1,1-dioxo-1,2-dihydro-1lambda*6...)Show SMILES COC1=C(N(C)S(=O)(=O)c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C=O |t:2| Show InChI InChI=1S/C20H20N2O5S/c1-22-18(19(27-2)16-10-6-7-11-17(16)28(22,25)26)20(24)21-15(13-23)12-14-8-4-3-5-9-14/h3-11,13,15H,12H2,1-2H3,(H,21,24)/t15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 3.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory concentration against MOLT-4 cells (human T-cell leukemia cell line) |
J Med Chem 44: 3488-503 (2001)
BindingDB Entry DOI: 10.7270/Q2G44PKR |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50105237
(2-Methyl-6-morpholin-4-yl-1,1-dioxo-1,2,3,4-tetrah...)Show SMILES CN1C(Cc2cc(ccc2S1(=O)=O)N1CCOCC1)C(=O)N[C@@H](Cc1ccccc1)C=O Show InChI InChI=1S/C23H27N3O5S/c1-25-21(23(28)24-19(16-27)13-17-5-3-2-4-6-17)15-18-14-20(26-9-11-31-12-10-26)7-8-22(18)32(25,29)30/h2-8,14,16,19,21H,9-13,15H2,1H3,(H,24,28)/t19-,21?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 4.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory concentration against MOLT-4 cells (human T-cell leukemia cell line) |
J Med Chem 44: 3488-503 (2001)
BindingDB Entry DOI: 10.7270/Q2G44PKR |
More data for this
Ligand-Target Pair | |
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