Found 22 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)) | BDBM50080227
(CHEMBL305715 | N-((S)-1-Benzyl-2-{2-[5-(3-cyano-ph...)Show SMILES Clc1cccc(Cl)c1C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCCNS(=O)(=O)c1ccc(s1)-c1cccc(c1)C#N Show InChI InChI=1S/C30H24Cl2N4O5S2/c31-22-10-5-11-23(32)27(22)29(38)36-24(17-19-6-2-1-3-7-19)28(37)30(39)34-14-15-35-43(40,41)26-13-12-25(42-26)21-9-4-8-20(16-21)18-33/h1-13,16,24,35H,14-15,17H2,(H,34,39)(H,36,38)/t24-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against recombinant human calpain I |
Bioorg Med Chem Lett 9: 2371-4 (1999)
BindingDB Entry DOI: 10.7270/Q2BK1BHT |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50080220
((S)-3-((R)-3-Benzyloxy-2-methanesulfonylamino-prop...)Show SMILES CS(=O)(=O)N[C@H](COCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCCNS(=O)(=O)c1ccc(s1)-c1ccccn1 Show InChI InChI=1S/C32H35N5O8S3/c1-47(41,42)37-27(22-45-21-24-12-6-3-7-13-24)31(39)36-26(20-23-10-4-2-5-11-23)30(38)32(40)34-18-19-35-48(43,44)29-16-15-28(46-29)25-14-8-9-17-33-25/h2-17,26-27,35,37H,18-22H2,1H3,(H,34,40)(H,36,39)/t26-,27+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against recombinant human calpain I |
Bioorg Med Chem Lett 9: 2371-4 (1999)
BindingDB Entry DOI: 10.7270/Q2BK1BHT |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50080217
(CHEMBL80867 | N-{(S)-1-Benzyl-2-oxo-2-[2-(5-pyridi...)Show SMILES Fc1cccc(F)c1C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCCNS(=O)(=O)c1ccc(s1)-c1ccccn1 Show InChI InChI=1S/C28H24F2N4O5S2/c29-19-9-6-10-20(30)25(19)27(36)34-22(17-18-7-2-1-3-8-18)26(35)28(37)32-15-16-33-41(38,39)24-13-12-23(40-24)21-11-4-5-14-31-21/h1-14,22,33H,15-17H2,(H,32,37)(H,34,36)/t22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against recombinant human calpain I |
Bioorg Med Chem Lett 9: 2371-4 (1999)
BindingDB Entry DOI: 10.7270/Q2BK1BHT |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50080225
(CHEMBL311512 | N-[(S)-2-(2-{5-[3-(Acetylamino-meth...)Show SMILES CC(=O)NCc1cccc(c1)-c1ccc(s1)S(=O)(=O)NCCNC(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)c1c(Cl)cccc1Cl Show InChI InChI=1S/C32H30Cl2N4O6S2/c1-20(39)36-19-22-9-5-10-23(17-22)27-13-14-28(45-27)46(43,44)37-16-15-35-32(42)30(40)26(18-21-7-3-2-4-8-21)38-31(41)29-24(33)11-6-12-25(29)34/h2-14,17,26,37H,15-16,18-19H2,1H3,(H,35,42)(H,36,39)(H,38,41)/t26-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against recombinant human calpain I |
Bioorg Med Chem Lett 9: 2371-4 (1999)
BindingDB Entry DOI: 10.7270/Q2BK1BHT |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50080231
(CHEMBL312549 | N-((S)-1-Benzyl-2-{2-[5-(3-formyl-p...)Show SMILES Clc1cccc(Cl)c1C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCCNS(=O)(=O)c1ccc(s1)-c1cccc(C=O)c1 Show InChI InChI=1S/C30H25Cl2N3O6S2/c31-22-10-5-11-23(32)27(22)29(38)35-24(17-19-6-2-1-3-7-19)28(37)30(39)33-14-15-34-43(40,41)26-13-12-25(42-26)21-9-4-8-20(16-21)18-36/h1-13,16,18,24,34H,14-15,17H2,(H,33,39)(H,35,38)/t24-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against recombinant human calpain I |
Bioorg Med Chem Lett 9: 2371-4 (1999)
BindingDB Entry DOI: 10.7270/Q2BK1BHT |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50080222
(4-Methyl-pentanoic acid {(S)-1-benzyl-2-oxo-2-[2-(...)Show SMILES CC(C)CCC(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCCNS(=O)(=O)c1ccc(s1)-c1ccccn1 Show InChI InChI=1S/C27H32N4O5S2/c1-19(2)11-13-24(32)31-22(18-20-8-4-3-5-9-20)26(33)27(34)29-16-17-30-38(35,36)25-14-12-23(37-25)21-10-6-7-15-28-21/h3-10,12,14-15,19,22,30H,11,13,16-18H2,1-2H3,(H,29,34)(H,31,32)/t22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against recombinant human Calpain 1 |
Bioorg Med Chem Lett 9: 2371-4 (1999)
BindingDB Entry DOI: 10.7270/Q2BK1BHT |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50080213
(CHEMBL311256 | N-((S)-1-Benzyl-2-{2-[5-(3-morpholi...)Show SMILES Clc1cccc(Cl)c1C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCCNS(=O)(=O)c1ccc(s1)-c1cccc(CN2CCOCC2)c1 Show InChI InChI=1S/C34H34Cl2N4O6S2/c35-26-10-5-11-27(36)31(26)33(42)39-28(21-23-6-2-1-3-7-23)32(41)34(43)37-14-15-38-48(44,45)30-13-12-29(47-30)25-9-4-8-24(20-25)22-40-16-18-46-19-17-40/h1-13,20,28,38H,14-19,21-22H2,(H,37,43)(H,39,42)/t28-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against recombinant human Calpain 1 |
Bioorg Med Chem Lett 9: 2371-4 (1999)
BindingDB Entry DOI: 10.7270/Q2BK1BHT |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50080223
(CHEMBL310826 | N-{(S)-1-Benzyl-2-oxo-2-[2-(5-pyrid...)Show SMILES Clc1cccc(Cl)c1C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCCNS(=O)(=O)c1ccc(s1)-c1ccccn1 Show InChI InChI=1S/C28H24Cl2N4O5S2/c29-19-9-6-10-20(30)25(19)27(36)34-22(17-18-7-2-1-3-8-18)26(35)28(37)32-15-16-33-41(38,39)24-13-12-23(40-24)21-11-4-5-14-31-21/h1-14,22,33H,15-17H2,(H,32,37)(H,34,36)/t22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against recombinant human calpain I |
Bioorg Med Chem Lett 9: 2371-4 (1999)
BindingDB Entry DOI: 10.7270/Q2BK1BHT |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50080229
(CHEMBL404598 | N-{(S)-1-Benzyl-2-oxo-2-[2-(5-pyrid...)Show SMILES COc1ccc(Cl)c(c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCCNS(=O)(=O)c1ccc(s1)-c1ccccn1 Show InChI InChI=1S/C29H27ClN4O6S2/c1-40-20-10-11-22(30)21(18-20)28(36)34-24(17-19-7-3-2-4-8-19)27(35)29(37)32-15-16-33-42(38,39)26-13-12-25(41-26)23-9-5-6-14-31-23/h2-14,18,24,33H,15-17H2,1H3,(H,32,37)(H,34,36)/t24-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 46 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against recombinant human calpain I |
Bioorg Med Chem Lett 9: 2371-4 (1999)
BindingDB Entry DOI: 10.7270/Q2BK1BHT |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50080221
(CHEMBL306616 | N-{(S)-1-Benzyl-2-oxo-2-[2-(5-pyrid...)Show SMILES Clc1ccc(Cl)c(c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCCNS(=O)(=O)c1ccc(s1)-c1ccccn1 Show InChI InChI=1S/C28H24Cl2N4O5S2/c29-19-9-10-21(30)20(17-19)27(36)34-23(16-18-6-2-1-3-7-18)26(35)28(37)32-14-15-33-41(38,39)25-12-11-24(40-25)22-8-4-5-13-31-22/h1-13,17,23,33H,14-16H2,(H,32,37)(H,34,36)/t23-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 49 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against recombinant human calpain I |
Bioorg Med Chem Lett 9: 2371-4 (1999)
BindingDB Entry DOI: 10.7270/Q2BK1BHT |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50080219
((S)-3-[2-(2,6-Dichloro-pyridin-3-yl)-acetylamino]-...)Show SMILES Clc1ccc(CC(=O)N[C@@H](Cc2ccccc2)C(=O)C(=O)NCCNS(=O)(=O)c2ccc(s2)-c2ccccn2)c(Cl)n1 Show InChI InChI=1S/C28H25Cl2N5O5S2/c29-23-11-9-19(27(30)35-23)17-24(36)34-21(16-18-6-2-1-3-7-18)26(37)28(38)32-14-15-33-42(39,40)25-12-10-22(41-25)20-8-4-5-13-31-20/h1-13,21,33H,14-17H2,(H,32,38)(H,34,36)/t21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 57 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against recombinant human Calpain 1 |
Bioorg Med Chem Lett 9: 2371-4 (1999)
BindingDB Entry DOI: 10.7270/Q2BK1BHT |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50080226
(CHEMBL311714 | N-((S)-1-Benzyl-2-oxo-2-{2-[4-(4-py...)Show SMILES Clc1cccc(Cl)c1C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCCNS(=O)(=O)c1ccc(CN2CCN(CC2)c2ccccn2)cc1 Show InChI InChI=1S/C35H36Cl2N6O5S/c36-28-9-6-10-29(37)32(28)34(45)41-30(23-25-7-2-1-3-8-25)33(44)35(46)39-17-18-40-49(47,48)27-14-12-26(13-15-27)24-42-19-21-43(22-20-42)31-11-4-5-16-38-31/h1-16,30,40H,17-24H2,(H,39,46)(H,41,45)/t30-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 59 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against recombinant human calpain I |
Bioorg Med Chem Lett 9: 2371-4 (1999)
BindingDB Entry DOI: 10.7270/Q2BK1BHT |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50080224
(4-Phenyl-pentanoic acid {(S)-1-benzyl-2-oxo-2-[2-(...)Show SMILES CC(CCC(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCCNS(=O)(=O)c1ccc(s1)-c1ccccn1)c1ccccc1 Show InChI InChI=1S/C32H34N4O5S2/c1-23(25-12-6-3-7-13-25)15-17-29(37)36-27(22-24-10-4-2-5-11-24)31(38)32(39)34-20-21-35-43(40,41)30-18-16-28(42-30)26-14-8-9-19-33-26/h2-14,16,18-19,23,27,35H,15,17,20-22H2,1H3,(H,34,39)(H,36,37)/t23?,27-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 62 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against recombinant human calpain I |
Bioorg Med Chem Lett 9: 2371-4 (1999)
BindingDB Entry DOI: 10.7270/Q2BK1BHT |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50080211
(CHEMBL309639 | N-((S)-2-{2-[4-(4-Acetyl-piperazin-...)Show SMILES CC(=O)N1CCN(Cc2ccc(cc2)S(=O)(=O)NCCNC(=O)C(=O)[C@H](Cc2ccccc2)NC(=O)c2c(Cl)cccc2Cl)CC1 Show InChI InChI=1S/C32H35Cl2N5O6S/c1-22(40)39-18-16-38(17-19-39)21-24-10-12-25(13-11-24)46(44,45)36-15-14-35-32(43)30(41)28(20-23-6-3-2-4-7-23)37-31(42)29-26(33)8-5-9-27(29)34/h2-13,28,36H,14-21H2,1H3,(H,35,43)(H,37,42)/t28-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 71 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against recombinant human calpain I |
Bioorg Med Chem Lett 9: 2371-4 (1999)
BindingDB Entry DOI: 10.7270/Q2BK1BHT |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50080216
(CHEMBL76036 | N-{(S)-1-Benzyl-2-oxo-2-[2-(5-pyridi...)Show SMILES Cc1cccc(C)c1C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCCNS(=O)(=O)c1ccc(s1)-c1ccccn1 Show InChI InChI=1S/C30H30N4O5S2/c1-20-9-8-10-21(2)27(20)29(36)34-24(19-22-11-4-3-5-12-22)28(35)30(37)32-17-18-33-41(38,39)26-15-14-25(40-26)23-13-6-7-16-31-23/h3-16,24,33H,17-19H2,1-2H3,(H,32,37)(H,34,36)/t24-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against recombinant human calpain I |
Bioorg Med Chem Lett 9: 2371-4 (1999)
BindingDB Entry DOI: 10.7270/Q2BK1BHT |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50065409
((S)-3-((R)-3-Benzyloxy-2-methanesulfonylamino-prop...)Show SMILES CCNC(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](COCc1ccccc1)NS(C)(=O)=O Show InChI InChI=1S/C23H29N3O6S/c1-3-24-23(29)21(27)19(14-17-10-6-4-7-11-17)25-22(28)20(26-33(2,30)31)16-32-15-18-12-8-5-9-13-18/h4-13,19-20,26H,3,14-16H2,1-2H3,(H,24,29)(H,25,28)/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
| 130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against recombinant human calpain I |
Bioorg Med Chem Lett 9: 2371-4 (1999)
BindingDB Entry DOI: 10.7270/Q2BK1BHT |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50080228
((S)-3-(3-Methyl-butyrylamino)-2-oxo-4-phenyl-N-[2-...)Show SMILES CC(C)CC(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCCNS(=O)(=O)c1ccc(s1)-c1ccccn1 Show InChI InChI=1S/C26H30N4O5S2/c1-18(2)16-23(31)30-21(17-19-8-4-3-5-9-19)25(32)26(33)28-14-15-29-37(34,35)24-12-11-22(36-24)20-10-6-7-13-27-20/h3-13,18,21,29H,14-17H2,1-2H3,(H,28,33)(H,30,31)/t21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 420 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against recombinant human Calpain 1 |
Bioorg Med Chem Lett 9: 2371-4 (1999)
BindingDB Entry DOI: 10.7270/Q2BK1BHT |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50080230
(CHEMBL431198 | N-{(S)-1-Benzyl-2-oxo-2-[2-(5-pyrid...)Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCCNS(=O)(=O)c1ccc(s1)-c1ccccn1 Show InChI InChI=1S/C30H24F6N4O5S2/c31-29(32,33)20-15-19(16-21(17-20)30(34,35)36)27(42)40-23(14-18-6-2-1-3-7-18)26(41)28(43)38-12-13-39-47(44,45)25-10-9-24(46-25)22-8-4-5-11-37-22/h1-11,15-17,23,39H,12-14H2,(H,38,43)(H,40,42)/t23-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 430 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against recombinant human calpain I |
Bioorg Med Chem Lett 9: 2371-4 (1999)
BindingDB Entry DOI: 10.7270/Q2BK1BHT |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50080215
(CHEMBL76302 | N-{(S)-1-Benzyl-2-oxo-2-[2-(5-pyridi...)Show SMILES O=C(NCCNS(=O)(=O)c1ccc(s1)-c1ccccn1)C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 Show InChI InChI=1S/C28H26N4O5S2/c33-26(23(19-20-9-3-1-4-10-20)32-27(34)21-11-5-2-6-12-21)28(35)30-17-18-31-39(36,37)25-15-14-24(38-25)22-13-7-8-16-29-22/h1-16,23,31H,17-19H2,(H,30,35)(H,32,34)/t23-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 570 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against recombinant human calpain I |
Bioorg Med Chem Lett 9: 2371-4 (1999)
BindingDB Entry DOI: 10.7270/Q2BK1BHT |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50080214
(Benzo[1,3]dioxole-5-carboxylic acid {(S)-1-benzyl-...)Show SMILES O=C(NCCNS(=O)(=O)c1ccc(s1)-c1ccccn1)C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C29H26N4O7S2/c34-27(29(36)31-14-15-32-42(37,38)26-12-11-25(41-26)21-8-4-5-13-30-21)22(16-19-6-2-1-3-7-19)33-28(35)20-9-10-23-24(17-20)40-18-39-23/h1-13,17,22,32H,14-16,18H2,(H,31,36)(H,33,35)/t22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against recombinant human calpain I |
Bioorg Med Chem Lett 9: 2371-4 (1999)
BindingDB Entry DOI: 10.7270/Q2BK1BHT |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50080218
((S)-3-Isobutyrylamino-2-oxo-4-phenyl-N-[2-(5-pyrid...)Show SMILES CC(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCCNS(=O)(=O)c1ccc(s1)-c1ccccn1 Show InChI InChI=1S/C25H28N4O5S2/c1-17(2)24(31)29-20(16-18-8-4-3-5-9-18)23(30)25(32)27-14-15-28-36(33,34)22-12-11-21(35-22)19-10-6-7-13-26-19/h3-13,17,20,28H,14-16H2,1-2H3,(H,27,32)(H,29,31)/t20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against recombinant human Calpain 1 |
Bioorg Med Chem Lett 9: 2371-4 (1999)
BindingDB Entry DOI: 10.7270/Q2BK1BHT |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50080212
((S)-2-Oxo-4-phenyl-3-(4-phenyl-butyrylamino)-N-[2-...)Show SMILES O=C(CCCc1ccccc1)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCCNS(=O)(=O)c1ccc(s1)-c1ccccn1 Show InChI InChI=1S/C31H32N4O5S2/c36-28(16-9-14-23-10-3-1-4-11-23)35-26(22-24-12-5-2-6-13-24)30(37)31(38)33-20-21-34-42(39,40)29-18-17-27(41-29)25-15-7-8-19-32-25/h1-8,10-13,15,17-19,26,34H,9,14,16,20-22H2,(H,33,38)(H,35,36)/t26-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against recombinant human Calpain 1 |
Bioorg Med Chem Lett 9: 2371-4 (1999)
BindingDB Entry DOI: 10.7270/Q2BK1BHT |
More data for this
Ligand-Target Pair | |
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