BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 27 hits Enz. Inhib. hit(s) with Target = 'Calpain small subunit 1' AND taxid = 9823   
Target
(Institution)
LigandTarget
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
pHTemp
°C
Calpain small subunit 1


(Sus scrofa)
BDBM50137938
PNG
(CHEMBL177469 | {(S)-1-[2-(N'-Benzyl-hydrazinocarbo...)
Show SMILES CC(C)CC(NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NNCc1ccccc1
Show InChI InChI=1S/C31H36N4O5/c1-22(2)18-27(34-31(39)40-21-25-16-10-5-11-17-25)29(37)33-26(19-23-12-6-3-7-13-23)28(36)30(38)35-32-20-24-14-8-4-9-15-24/h3-17,22,26-27,32H,18-21H2,1-2H3,(H,33,37)(H,34,39)(H,35,38)/t26-,27?/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
4.70n/an/an/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Binding affinity of the compound against porcine erythrocyte calpain I was determined


Citation and Details
More data for this
Ligand-Target Pair
Calpain small subunit 1


(Sus scrofa)
BDBM50124028
PNG
((S)-4-Methyl-2-(toluene-4-sulfonylamino)-pentanoic...)
Show SMILES CC(C)C[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NC(Cc1ccccc1)C=O
Show InChI InChI=1S/C22H28N2O4S/c1-16(2)13-21(24-29(27,28)20-11-9-17(3)10-12-20)22(26)23-19(15-25)14-18-7-5-4-6-8-18/h4-12,15-16,19,21,24H,13-14H2,1-3H3,(H,23,26)/t19?,21-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
PubMed
20n/an/an/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Compound tested for inhibition of porcine calpain I


Bioorg Med Chem Lett 13: 783-4 (2003)

More data for this
Ligand-Target Pair
Calpain small subunit 1


(Sus scrofa)
BDBM50101321
PNG
(CHEMBL299750 | [(S)-1-((S)-1-Benzyl-2-benzyloxycar...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NOCc1ccccc1
Show InChI InChI=1S/C31H35N3O6/c1-22(2)18-27(33-31(38)39-20-24-14-8-4-9-15-24)29(36)32-26(19-23-12-6-3-7-13-23)28(35)30(37)34-40-21-25-16-10-5-11-17-25/h3-17,22,26-27H,18-21H2,1-2H3,(H,32,36)(H,33,38)(H,34,37)/t26-,27-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

AffyNet 
PubMed
45n/an/an/an/an/an/an/an/a



The University of Tennessee

Curated by ChEMBL


Assay Description
Binding affinity of the compound was evaluated against porcine erythrocyte Calpain 1 at the S1 subsite of the enzyme


Bioorg Med Chem Lett 11: 1753-5 (2001)

More data for this
Ligand-Target Pair
Calpain small subunit 1


(Sus scrofa)
BDBM50137939
PNG
(CHEMBL366793 | {(S)-3-Methyl-1-[2-oxo-2-phenethylc...)
Show SMILES CC(C)CC(NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C32H37N3O5/c1-23(2)20-28(35-32(39)40-22-26-16-10-5-11-17-26)30(37)34-27(21-25-14-8-4-9-15-25)29(36)31(38)33-19-18-24-12-6-3-7-13-24/h3-17,23,27-28H,18-22H2,1-2H3,(H,33,38)(H,34,37)(H,35,39)/t27-,28?/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
54n/an/an/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Binding affinity of the compound against porcine erythrocyte calpain I was determined


Citation and Details
More data for this
Ligand-Target Pair
Calpain small subunit 1


(Sus scrofa)
BDBM50101317
PNG
(CHEMBL301598 | [(S)-1-((S)-1-Benzyl-2-ethoxycarbam...)
Show SMILES CCONC(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C26H33N3O6/c1-4-35-29-25(32)23(30)21(16-19-11-7-5-8-12-19)27-24(31)22(15-18(2)3)28-26(33)34-17-20-13-9-6-10-14-20/h5-14,18,21-22H,4,15-17H2,1-3H3,(H,27,31)(H,28,33)(H,29,32)/t21-,22-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

AffyNet 
PubMed
62n/an/an/an/an/an/an/an/a



The University of Tennessee

Curated by ChEMBL


Assay Description
Binding affinity of the compound was evaluated against porcine erythrocyte Calpain 1 at the S1 subsite of the enzyme


Bioorg Med Chem Lett 11: 1753-5 (2001)

More data for this
Ligand-Target Pair
Calpain small subunit 1


(Sus scrofa)
BDBM50093805
PNG
(CHEMBL416281 | [(S)-1-((S)-1-Benzyl-2-oxo-2-phenet...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C32H37N3O5/c1-23(2)20-28(35-32(39)40-22-26-16-10-5-11-17-26)30(37)34-27(21-25-14-8-4-9-15-25)29(36)31(38)33-19-18-24-12-6-3-7-13-24/h3-17,23,27-28H,18-22H2,1-2H3,(H,33,38)(H,34,37)(H,35,39)/t27-,28-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
PubMed
70n/an/an/an/an/an/an/an/a



The University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
The compound was evaluated for inhibition of Calpain 1 from porcine erythrocytes


Bioorg Med Chem Lett 10: 2497-500 (2001)

More data for this
Ligand-Target Pair
Calpain small subunit 1


(Sus scrofa)
BDBM50124032
PNG
(3-(Toluene-4-sulfonyl)-thiazolidine-2-carboxylic a...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCSC1C(=O)NC(Cc1ccccc1)C=O
Show InChI InChI=1S/C20H22N2O4S2/c1-15-7-9-18(10-8-15)28(25,26)22-11-12-27-20(22)19(24)21-17(14-23)13-16-5-3-2-4-6-16/h2-10,14,17,20H,11-13H2,1H3,(H,21,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
PubMed
70n/an/an/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Compound tested for inhibition of porcine Calpain 1


Bioorg Med Chem Lett 13: 783-4 (2003)

More data for this
Ligand-Target Pair
Calpain small subunit 1


(Sus scrofa)
BDBM50093805
PNG
(CHEMBL416281 | [(S)-1-((S)-1-Benzyl-2-oxo-2-phenet...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C32H37N3O5/c1-23(2)20-28(35-32(39)40-22-26-16-10-5-11-17-26)30(37)34-27(21-25-14-8-4-9-15-25)29(36)31(38)33-19-18-24-12-6-3-7-13-24/h3-17,23,27-28H,18-22H2,1-2H3,(H,33,38)(H,34,37)(H,35,39)/t27-,28-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
PubMed
72n/an/an/an/an/an/an/an/a



The University of Tennessee

Curated by ChEMBL


Assay Description
Binding affinity of the compound was evaluated against porcine erythrocyte Calpain 1 at the S1 subsite of the enzyme


Bioorg Med Chem Lett 11: 1753-5 (2001)

More data for this
Ligand-Target Pair
Calpain small subunit 1


(Sus scrofa)
BDBM50137932
PNG
(CHEMBL177592 | {(S)-1-[2-((R)-1-Hydrazinomethyl-2-...)
Show SMILES CC(C)CC(NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)N[C@@H](CNN)Cc1ccccc1
Show InChI InChI=1S/C33H41N5O5/c1-23(2)18-29(38-33(42)43-22-26-16-10-5-11-17-26)31(40)37-28(20-25-14-8-4-9-15-25)30(39)32(41)36-27(21-35-34)19-24-12-6-3-7-13-24/h3-17,23,27-29,35H,18-22,34H2,1-2H3,(H,36,41)(H,37,40)(H,38,42)/t27-,28+,29?/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
74n/an/an/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Binding affinity of the compound against porcine erythrocyte calpain I was determined


Citation and Details
More data for this
Ligand-Target Pair
Calpain small subunit 1


(Sus scrofa)
BDBM50124029
PNG
(1-(Toluene-4-sulfonyl)-pyrrolidine-2-carboxylic ac...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C=O
Show InChI InChI=1S/C21H24N2O4S/c1-16-9-11-19(12-10-16)28(26,27)23-13-5-8-20(23)21(25)22-18(15-24)14-17-6-3-2-4-7-17/h2-4,6-7,9-12,15,18,20H,5,8,13-14H2,1H3,(H,22,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
PubMed
80n/an/an/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Compound tested for inhibition of porcine Calpain 1


Bioorg Med Chem Lett 13: 783-4 (2003)

More data for this
Ligand-Target Pair
Calpain small subunit 1


(Sus scrofa)
BDBM50101322
PNG
(CHEMBL432121 | [(S)-1-((S)-1-Benzyl-2-oxo-2-propyl...)
Show SMILES CCCNC(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C27H35N3O5/c1-4-15-28-26(33)24(31)22(17-20-11-7-5-8-12-20)29-25(32)23(16-19(2)3)30-27(34)35-18-21-13-9-6-10-14-21/h5-14,19,22-23H,4,15-18H2,1-3H3,(H,28,33)(H,29,32)(H,30,34)/t22-,23-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
PubMed
107n/an/an/an/an/an/an/an/a



The University of Tennessee

Curated by ChEMBL


Assay Description
Binding affinity of the compound was evaluated against porcine erythrocyte Calpain 1 at the S1 subsite of the enzyme


Bioorg Med Chem Lett 11: 1753-5 (2001)

More data for this
Ligand-Target Pair
Calpain small subunit 1


(Sus scrofa)
BDBM50101318
PNG
(CHEMBL50655 | [(S)-1-((S)-1-Benzyl-2-ethylcarbamoy...)
Show SMILES CCNC(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C26H33N3O5/c1-4-27-25(32)23(30)21(16-19-11-7-5-8-12-19)28-24(31)22(15-18(2)3)29-26(33)34-17-20-13-9-6-10-14-20/h5-14,18,21-22H,4,15-17H2,1-3H3,(H,27,32)(H,28,31)(H,29,33)/t21-,22-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
PubMed
200n/an/an/an/an/an/an/an/a



The University of Tennessee

Curated by ChEMBL


Assay Description
Binding affinity of the compound was evaluated against porcine erythrocyte Calpain 1 at the S1 subsite of the enzyme


Bioorg Med Chem Lett 11: 1753-5 (2001)

More data for this
Ligand-Target Pair
Calpain small subunit 1


(Sus scrofa)
BDBM50124030
PNG
(1-(Toluene-4-sulfonyl)-azetidine-2-carboxylic acid...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCC1C(=O)NC(Cc1ccccc1)C=O
Show InChI InChI=1S/C20H22N2O4S/c1-15-7-9-18(10-8-15)27(25,26)22-12-11-19(22)20(24)21-17(14-23)13-16-5-3-2-4-6-16/h2-10,14,17,19H,11-13H2,1H3,(H,21,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
PubMed
250n/an/an/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Compound tested for inhibition of porcine Calpain 1


Bioorg Med Chem Lett 13: 783-4 (2003)

More data for this
Ligand-Target Pair
Calpain small subunit 1


(Sus scrofa)
BDBM50124031
PNG
(1-(Toluene-4-sulfonyl)-piperidine-2-carboxylic aci...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCCCC1C(=O)NC(Cc1ccccc1)C=O
Show InChI InChI=1S/C22H26N2O4S/c1-17-10-12-20(13-11-17)29(27,28)24-14-6-5-9-21(24)22(26)23-19(16-25)15-18-7-3-2-4-8-18/h2-4,7-8,10-13,16,19,21H,5-6,9,14-15H2,1H3,(H,23,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
PubMed
540n/an/an/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Compound tested for inhibition of porcine calpain I


Bioorg Med Chem Lett 13: 783-4 (2003)

More data for this
Ligand-Target Pair
Calpain small subunit 1


(Sus scrofa)
BDBM50101320
PNG
(CHEMBL300270 | {(S)-1-[(S)-1-Benzyl-2-(benzyloxy-m...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)N(C)OCc1ccccc1
Show InChI InChI=1S/C32H37N3O6/c1-23(2)19-28(34-32(39)40-21-25-15-9-5-10-16-25)30(37)33-27(20-24-13-7-4-8-14-24)29(36)31(38)35(3)41-22-26-17-11-6-12-18-26/h4-18,23,27-28H,19-22H2,1-3H3,(H,33,37)(H,34,39)/t27-,28-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
PubMed
673n/an/an/an/an/an/an/an/a



The University of Tennessee

Curated by ChEMBL


Assay Description
Binding affinity of the compound was evaluated against porcine erythrocyte Calpain 1 at the S1 subsite of the enzyme


Bioorg Med Chem Lett 11: 1753-5 (2001)

More data for this
Ligand-Target Pair
Calpain small subunit 1


(Sus scrofa)
BDBM50137934
PNG
(2-[(S)-3-((S)-2-Benzyloxycarbonylamino-4-methyl-pe...)
Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C34H39N3O7/c1-23(2)19-28(37-34(42)44-22-26-17-11-6-12-18-26)31(39)35-27(20-24-13-7-4-8-14-24)30(38)32(40)36-29(33(41)43-3)21-25-15-9-5-10-16-25/h4-18,23,27-29H,19-22H2,1-3H3,(H,35,39)(H,36,40)(H,37,42)/t27-,28?,29-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
680n/an/an/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Binding affinity of the compound against porcine erythrocyte calpain I was determined


Citation and Details
More data for this
Ligand-Target Pair
Calpain small subunit 1


(Sus scrofa)
BDBM50093803
PNG
(CHEMBL316201 | [(1S,2S)-1-((S)-1-Benzyl-2-oxo-2-ph...)
Show SMILES CC(C)[C@@H]1C[C@@]1(NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C33H37N3O5/c1-23(2)27-21-33(27,36-32(40)41-22-26-16-10-5-11-17-26)31(39)35-28(20-25-14-8-4-9-15-25)29(37)30(38)34-19-18-24-12-6-3-7-13-24/h3-17,23,27-28H,18-22H2,1-2H3,(H,34,38)(H,35,39)(H,36,40)/t27-,28-,33-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
PubMed
750n/an/an/an/an/an/an/an/a



The University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
The compound was evaluated for inhibition of Calpain 1 from porcine erythrocytes


Bioorg Med Chem Lett 10: 2497-500 (2001)

More data for this
Ligand-Target Pair
Calpain small subunit 1


(Sus scrofa)
BDBM50101324
PNG
(CHEMBL176188 | {(S)-1-[(S)-1-Benzyl-2-(ethoxy-meth...)
Show SMILES CCON(C)C(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C27H35N3O6/c1-5-36-30(4)26(33)24(31)22(17-20-12-8-6-9-13-20)28-25(32)23(16-19(2)3)29-27(34)35-18-21-14-10-7-11-15-21/h6-15,19,22-23H,5,16-18H2,1-4H3,(H,28,32)(H,29,34)/t22-,23-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
PubMed
750n/an/an/an/an/an/an/an/a



The University of Tennessee

Curated by ChEMBL


Assay Description
Binding affinity of the compound was evaluated against porcine erythrocyte Calpain 1 at the S1 subsite of the enzyme


Bioorg Med Chem Lett 11: 1753-5 (2001)

More data for this
Ligand-Target Pair
Calpain small subunit 1


(Sus scrofa)
BDBM50137937
PNG
(2-[(S)-3-((S)-2-Benzyloxycarbonylamino-4-methyl-pe...)
Show SMILES CC(C)CC(NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C33H37N3O7/c1-22(2)18-27(36-33(42)43-21-25-16-10-5-11-17-25)30(38)34-26(19-23-12-6-3-7-13-23)29(37)31(39)35-28(32(40)41)20-24-14-8-4-9-15-24/h3-17,22,26-28H,18-21H2,1-2H3,(H,34,38)(H,35,39)(H,36,42)(H,40,41)/t26-,27?,28-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
830n/an/an/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Binding affinity of the compound against porcine erythrocyte calpain I was determined


Citation and Details
More data for this
Ligand-Target Pair
Calpain small subunit 1


(Sus scrofa)
BDBM50137933
PNG
(2-[(S)-3-((S)-2-Benzyloxycarbonylamino-4-methyl-pe...)
Show SMILES COC(=O)[C@@H](Cc1ccccc1)NC(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C34H39N3O7/c1-23(2)19-28(37-34(42)44-22-26-17-11-6-12-18-26)31(39)35-27(20-24-13-7-4-8-14-24)30(38)32(40)36-29(33(41)43-3)21-25-15-9-5-10-16-25/h4-18,23,27-29H,19-22H2,1-3H3,(H,35,39)(H,36,40)(H,37,42)/t27-,28?,29+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
940n/an/an/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Binding affinity of the compound against porcine erythrocyte calpain I was determined


Citation and Details
More data for this
Ligand-Target Pair
Calpain small subunit 1


(Sus scrofa)
BDBM50137936
PNG
(CHEMBL178747 | {(S)-1-[2-((S)-1-Hydrazinomethyl-2-...)
Show SMILES CC(C)CC(NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)N[C@H](CNN)Cc1ccccc1
Show InChI InChI=1S/C33H41N5O5/c1-23(2)18-29(38-33(42)43-22-26-16-10-5-11-17-26)31(40)37-28(20-25-14-8-4-9-15-25)30(39)32(41)36-27(21-35-34)19-24-12-6-3-7-13-24/h3-17,23,27-29,35H,18-22,34H2,1-2H3,(H,36,41)(H,37,40)(H,38,42)/t27-,28-,29?/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
4.19E+3n/an/an/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Binding affinity of the compound against porcine erythrocyte calpain I was determined


Citation and Details
More data for this
Ligand-Target Pair
Calpain small subunit 1


(Sus scrofa)
BDBM50093804
PNG
(CHEMBL84246 | [(1R,2R)-1-((S)-1-Benzyl-2-oxo-2-phe...)
Show SMILES CC(C)[C@H]1C[C@]1(NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C33H37N3O5/c1-23(2)27-21-33(27,36-32(40)41-22-26-16-10-5-11-17-26)31(39)35-28(20-25-14-8-4-9-15-25)29(37)30(38)34-19-18-24-12-6-3-7-13-24/h3-17,23,27-28H,18-22H2,1-2H3,(H,34,38)(H,35,39)(H,36,40)/t27-,28+,33-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
PubMed
6.15E+3n/an/an/an/an/an/an/an/a



The University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
The compound was evaluated for inhibition of Calpain 1 from porcine erythrocytes


Bioorg Med Chem Lett 10: 2497-500 (2001)

More data for this
Ligand-Target Pair
Calpain small subunit 1


(Sus scrofa)
BDBM50093806
PNG
(CHEMBL445563 | [(1S,2R)-1-((S)-1-Benzyl-2-oxo-2-ph...)
Show SMILES CC(C)[C@H]1C[C@@]1(NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C33H37N3O5/c1-23(2)27-21-33(27,36-32(40)41-22-26-16-10-5-11-17-26)31(39)35-28(20-25-14-8-4-9-15-25)29(37)30(38)34-19-18-24-12-6-3-7-13-24/h3-17,23,27-28H,18-22H2,1-2H3,(H,34,38)(H,35,39)(H,36,40)/t27-,28+,33+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
PubMed
1.11E+4n/an/an/an/an/an/an/an/a



The University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
The compound was evaluated for inhibition of Calpain 1 from porcine erythrocytes


Bioorg Med Chem Lett 10: 2497-500 (2001)

More data for this
Ligand-Target Pair
Calpain small subunit 1


(Sus scrofa)
BDBM50101323
PNG
(CHEMBL48567 | {(S)-1-[(S)-1-Benzyl-2-(benzyloxy-et...)
Show SMILES CCN(OCc1ccccc1)C(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C33H39N3O6/c1-4-36(42-23-27-18-12-7-13-19-27)32(39)30(37)28(21-25-14-8-5-9-15-25)34-31(38)29(20-24(2)3)35-33(40)41-22-26-16-10-6-11-17-26/h5-19,24,28-29H,4,20-23H2,1-3H3,(H,34,38)(H,35,40)/t28-,29-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
PubMed
2.80E+4n/an/an/an/an/an/an/an/a



The University of Tennessee

Curated by ChEMBL


Assay Description
Binding affinity of the compound was evaluated against porcine erythrocyte Calpain 1 at the S1 subsite of the enzyme


Bioorg Med Chem Lett 11: 1753-5 (2001)

More data for this
Ligand-Target Pair
Calpain small subunit 1


(Sus scrofa)
BDBM50093802
PNG
(CHEMBL82887 | [(1R,2S)-1-((S)-1-Benzyl-2-oxo-2-phe...)
Show SMILES CC(C)[C@@H]1C[C@]1(NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C33H37N3O5/c1-23(2)27-21-33(27,36-32(40)41-22-26-16-10-5-11-17-26)31(39)35-28(20-25-14-8-4-9-15-25)29(37)30(38)34-19-18-24-12-6-3-7-13-24/h3-17,23,27-28H,18-22H2,1-2H3,(H,34,38)(H,35,39)(H,36,40)/t27-,28-,33+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
PubMed
4.00E+4n/an/an/an/an/an/an/an/a



The University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
The compound was evaluated for inhibition of Calpain 1 from porcine erythrocytes


Bioorg Med Chem Lett 10: 2497-500 (2001)

More data for this
Ligand-Target Pair
Calpain small subunit 1


(Sus scrofa)
BDBM50101319
PNG
(CHEMBL49829 | [(S)-1-((S)-1-Benzyl-2-diethylcarbam...)
Show SMILES CCN(CC)C(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C28H37N3O5/c1-5-31(6-2)27(34)25(32)23(18-21-13-9-7-10-14-21)29-26(33)24(17-20(3)4)30-28(35)36-19-22-15-11-8-12-16-22/h7-16,20,23-24H,5-6,17-19H2,1-4H3,(H,29,33)(H,30,35)/t23-,24-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
PubMed
7.60E+4n/an/an/an/an/an/an/an/a



The University of Tennessee

Curated by ChEMBL


Assay Description
Binding affinity of the compound was evaluated against porcine erythrocyte Calpain 1 at the S1 subsite of the enzyme


Bioorg Med Chem Lett 11: 1753-5 (2001)

More data for this
Ligand-Target Pair
Calpain small subunit 1


(Sus scrofa)
BDBM50137935
PNG
(2-[(S)-3-((S)-2-Benzyloxycarbonylamino-4-methyl-pe...)
Show SMILES CC(C)CC(NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)N[C@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C33H37N3O7/c1-22(2)18-27(36-33(42)43-21-25-16-10-5-11-17-25)30(38)34-26(19-23-12-6-3-7-13-23)29(37)31(39)35-28(32(40)41)20-24-14-8-4-9-15-24/h3-17,22,26-28H,18-21H2,1-2H3,(H,34,38)(H,35,39)(H,36,42)(H,40,41)/t26-,27?,28+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
>4.30E+5n/an/an/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Binding affinity of the compound against porcine erythrocyte calpain I was determined


Citation and Details
More data for this
Ligand-Target Pair