BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 51 hits with Last Name = 'aitken' and Initial = 'sg'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Calpain 1


(Rattus norvegicus)
BDBM50114340
PNG
((S)-2-(4-Fluoro-benzenesulfonylamino)-N-((S)-1-for...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(C)C)C=O
Show InChI InChI=1S/C17H25FN2O4S/c1-11(2)9-14(10-21)19-17(22)16(12(3)4)20-25(23,24)15-7-5-13(18)6-8-15/h5-8,10-12,14,16,20H,9H2,1-4H3,(H,19,22)/t14-,16-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.5n/an/an/an/an/an/a



University of Canterbury

Curated by ChEMBL


Assay Description
Inhibition of rat CAPN1 using BODIPY-labeled casein substrate by fluorometric analysis


J Med Chem 54: 7503-22 (2011)


Article DOI: 10.1021/jm200471r
BindingDB Entry DOI: 10.7270/Q2F47PJ4
More data for this
Ligand-Target Pair
Calpain 1


(Rattus norvegicus)
BDBM50358131
PNG
(CHEMBL1923954)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(C)C)C=O
Show InChI InChI=1S/C21H28N2O4S/c1-14(2)11-18(13-24)22-21(25)20(15(3)4)23-28(26,27)19-10-9-16-7-5-6-8-17(16)12-19/h5-10,12-15,18,20,23H,11H2,1-4H3,(H,22,25)/t18-,20-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

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



University of Canterbury

Curated by ChEMBL


Assay Description
Inhibition of rat CAPN1 using BODIPY-labeled casein substrate by fluorometric analysis


J Med Chem 54: 7503-22 (2011)


Article DOI: 10.1021/jm200471r
BindingDB Entry DOI: 10.7270/Q2F47PJ4
More data for this
Ligand-Target Pair
Calpain 1


(Rattus norvegicus)
BDBM50358138
PNG
(CHEMBL1923961)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C=O
Show InChI InChI=1S/C22H24ClN3O4S/c1-14(2)21(26-31(29,30)18-9-7-16(23)8-10-18)22(28)25-17(13-27)11-15-12-24-20-6-4-3-5-19(15)20/h3-10,12-14,17,21,24,26H,11H2,1-2H3,(H,25,28)/t17-,21-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 13n/an/an/an/an/an/a



University of Canterbury

Curated by ChEMBL


Assay Description
Inhibition of rat CAPN1 using BODIPY-labeled casein substrate by fluorometric analysis


J Med Chem 54: 7503-22 (2011)


Article DOI: 10.1021/jm200471r
BindingDB Entry DOI: 10.7270/Q2F47PJ4
More data for this
Ligand-Target Pair
Calpain 1


(Rattus norvegicus)
BDBM50358132
PNG
(CHEMBL1923955)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N[C@@H](Cc1ccccc1)C=O
Show InChI InChI=1S/C24H26N2O4S/c1-17(2)23(24(28)25-21(16-27)14-18-8-4-3-5-9-18)26-31(29,30)22-13-12-19-10-6-7-11-20(19)15-22/h3-13,15-17,21,23,26H,14H2,1-2H3,(H,25,28)/t21-,23-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 14n/an/an/an/an/an/a



University of Canterbury

Curated by ChEMBL


Assay Description
Inhibition of rat CAPN1 using BODIPY-labeled casein substrate by fluorometric analysis


J Med Chem 54: 7503-22 (2011)


Article DOI: 10.1021/jm200471r
BindingDB Entry DOI: 10.7270/Q2F47PJ4
More data for this
Ligand-Target Pair
Calpain 1


(Rattus norvegicus)
BDBM50358137
PNG
(CHEMBL1923960)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@@H](Cc1ccccc1)C=O
Show InChI InChI=1S/C20H23ClN2O4S/c1-14(2)19(23-28(26,27)18-10-8-16(21)9-11-18)20(25)22-17(13-24)12-15-6-4-3-5-7-15/h3-11,13-14,17,19,23H,12H2,1-2H3,(H,22,25)/t17-,19-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 14n/an/an/an/an/an/a



University of Canterbury

Curated by ChEMBL


Assay Description
Inhibition of rat CAPN1 using BODIPY-labeled casein substrate by fluorometric analysis


J Med Chem 54: 7503-22 (2011)


Article DOI: 10.1021/jm200471r
BindingDB Entry DOI: 10.7270/Q2F47PJ4
More data for this
Ligand-Target Pair
Calpain 1


(Rattus norvegicus)
BDBM50358140
PNG
(CHEMBL1923963)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N[C@@H](Cc1ccccc1)C=O
Show InChI InChI=1S/C21H26N2O4S/c1-15(2)20(23-28(26,27)19-11-9-16(3)10-12-19)21(25)22-18(14-24)13-17-7-5-4-6-8-17/h4-12,14-15,18,20,23H,13H2,1-3H3,(H,22,25)/t18-,20-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 18n/an/an/an/an/an/a



University of Canterbury

Curated by ChEMBL


Assay Description
Inhibition of rat CAPN1 using BODIPY-labeled casein substrate by fluorometric analysis


J Med Chem 54: 7503-22 (2011)


Article DOI: 10.1021/jm200471r
BindingDB Entry DOI: 10.7270/Q2F47PJ4
More data for this
Ligand-Target Pair
Calpain 1


(Rattus norvegicus)
BDBM50358134
PNG
(CHEMBL1923957)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C=O
Show InChI InChI=1S/C22H24FN3O4S/c1-14(2)21(26-31(29,30)18-9-7-16(23)8-10-18)22(28)25-17(13-27)11-15-12-24-20-6-4-3-5-19(15)20/h3-10,12-14,17,21,24,26H,11H2,1-2H3,(H,25,28)/t17-,21-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 23n/an/an/an/an/an/a



University of Canterbury

Curated by ChEMBL


Assay Description
Inhibition of rat CAPN1 using BODIPY-labeled casein substrate by fluorometric analysis


J Med Chem 54: 7503-22 (2011)


Article DOI: 10.1021/jm200471r
BindingDB Entry DOI: 10.7270/Q2F47PJ4
More data for this
Ligand-Target Pair
Calpain-2


(Ovis aries (sheep))
BDBM25891
PNG
((2S)-2-[(5-formyl-1H-pyrrol-2-yl)formamido]-3-meth...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1ccc(C=O)[nH]1)C(C)C)C=O
Show InChI InChI=1S/C17H25N3O4/c1-10(2)7-13(9-22)19-17(24)15(11(3)4)20-16(23)14-6-5-12(8-21)18-14/h5-6,8-11,13,15,18H,7H2,1-4H3,(H,19,24)(H,20,23)/t13-,15-/m0/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 25n/an/an/an/a7.525



University of Canterbury



Assay Description
Calpain inhibition assays were performed in 96-well black plates. The reaction was initiated by the addition of substrate solution. The progress of t...


Bioorg Med Chem 16: 6911-23 (2008)


Article DOI: 10.1016/j.bmc.2008.05.048
BindingDB Entry DOI: 10.7270/Q2C53J5R
More data for this
Ligand-Target Pair
Calpain 1


(Rattus norvegicus)
BDBM50358133
PNG
(CHEMBL1923956)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)N[C@@H](Cc1ccccc1)C=O
Show InChI InChI=1S/C20H23FN2O4S/c1-14(2)19(23-28(26,27)18-10-8-16(21)9-11-18)20(25)22-17(13-24)12-15-6-4-3-5-7-15/h3-11,13-14,17,19,23H,12H2,1-2H3,(H,22,25)/t17-,19-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 27n/an/an/an/an/an/a



University of Canterbury

Curated by ChEMBL


Assay Description
Inhibition of rat CAPN1 using BODIPY-labeled casein substrate by fluorometric analysis


J Med Chem 54: 7503-22 (2011)


Article DOI: 10.1021/jm200471r
BindingDB Entry DOI: 10.7270/Q2F47PJ4
More data for this
Ligand-Target Pair
Calpain 1


(Rattus norvegicus)
BDBM50358139
PNG
(CHEMBL1923962)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(C)C)C=O
Show InChI InChI=1S/C18H28N2O4S/c1-12(2)10-15(11-21)19-18(22)17(13(3)4)20-25(23,24)16-8-6-14(5)7-9-16/h6-9,11-13,15,17,20H,10H2,1-5H3,(H,19,22)/t15-,17-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 28n/an/an/an/an/an/a



University of Canterbury

Curated by ChEMBL


Assay Description
Inhibition of rat CAPN1 using BODIPY-labeled casein substrate by fluorometric analysis


J Med Chem 54: 7503-22 (2011)


Article DOI: 10.1021/jm200471r
BindingDB Entry DOI: 10.7270/Q2F47PJ4
More data for this
Ligand-Target Pair
Calpain-2 (m-Calpain)


(Homo sapiens (Human))
BDBM50358153
PNG
(CHEMBL1921830)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(OCCCC[C@H](NC1=O)C=O)cc2)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C29H37N3O6/c1-20(2)16-25-27(34)30-23(18-33)10-6-7-15-37-24-13-11-21(12-14-24)17-26(28(35)31-25)32-29(36)38-19-22-8-4-3-5-9-22/h3-5,8-9,11-14,18,20,23,25-26H,6-7,10,15-17,19H2,1-2H3,(H,30,34)(H,31,35)(H,32,36)/t23-,25-,26-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 30n/an/an/an/an/an/a



University of Canterbury

Curated by ChEMBL


Assay Description
Inhibition of CAPN2 using BODIPY-labeled casein substrate by fluorometric analysis


J Med Chem 54: 7503-22 (2011)


Article DOI: 10.1021/jm200471r
BindingDB Entry DOI: 10.7270/Q2F47PJ4
More data for this
Ligand-Target Pair
Calpain 1


(Rattus norvegicus)
BDBM50358136
PNG
(CHEMBL1923959)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(C)C)C=O
Show InChI InChI=1S/C17H25ClN2O4S/c1-11(2)9-14(10-21)19-17(22)16(12(3)4)20-25(23,24)15-7-5-13(18)6-8-15/h5-8,10-12,14,16,20H,9H2,1-4H3,(H,19,22)/t14-,16-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 31n/an/an/an/an/an/a



University of Canterbury

Curated by ChEMBL


Assay Description
Inhibition of rat CAPN1 using BODIPY-labeled casein substrate by fluorometric analysis


J Med Chem 54: 7503-22 (2011)


Article DOI: 10.1021/jm200471r
BindingDB Entry DOI: 10.7270/Q2F47PJ4
More data for this
Ligand-Target Pair
Calpain-2 (m-Calpain)


(Homo sapiens (Human))
BDBM50358152
PNG
(CHEMBL1921829)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(OCCCC[C@H](NC1=O)C=O)cc2)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C28H35N3O6/c1-19(2)25-27(34)29-22(17-32)10-6-7-15-36-23-13-11-20(12-14-23)16-24(26(33)31-25)30-28(35)37-18-21-8-4-3-5-9-21/h3-5,8-9,11-14,17,19,22,24-25H,6-7,10,15-16,18H2,1-2H3,(H,29,34)(H,30,35)(H,31,33)/t22-,24-,25-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 85n/an/an/an/an/an/a



University of Canterbury

Curated by ChEMBL


Assay Description
Inhibition of CAPN2 using BODIPY-labeled casein substrate by fluorometric analysis


J Med Chem 54: 7503-22 (2011)


Article DOI: 10.1021/jm200471r
BindingDB Entry DOI: 10.7270/Q2F47PJ4
More data for this
Ligand-Target Pair
Calpain-2


(Ovis aries (sheep))
BDBM25890
PNG
((2S)-2-[(5-formylthiophen-2-yl)formamido]-3-methyl...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1ccc(C=O)s1)C(C)C)C=O
Show InChI InChI=1S/C17H24N2O4S/c1-10(2)7-12(8-20)18-17(23)15(11(3)4)19-16(22)14-6-5-13(9-21)24-14/h5-6,8-12,15H,7H2,1-4H3,(H,18,23)(H,19,22)/t12-,15-/m0/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 85n/an/an/an/a7.525



University of Canterbury



Assay Description
Calpain inhibition assays were performed in 96-well black plates. The reaction was initiated by the addition of substrate solution. The progress of t...


Bioorg Med Chem 16: 6911-23 (2008)


Article DOI: 10.1016/j.bmc.2008.05.048
BindingDB Entry DOI: 10.7270/Q2C53J5R
More data for this
Ligand-Target Pair
Calpain-2


(Ovis aries (sheep))
BDBM25889
PNG
((2S)-2-[(5-formylfuran-2-yl)formamido]-3-methyl-N-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1ccc(C=O)o1)C(C)C)C=O
Show InChI InChI=1S/C17H24N2O5/c1-10(2)7-12(8-20)18-17(23)15(11(3)4)19-16(22)14-6-5-13(9-21)24-14/h5-6,8-12,15H,7H2,1-4H3,(H,18,23)(H,19,22)/t12-,15-/m0/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 100n/an/an/an/a7.525



University of Canterbury



Assay Description
Calpain inhibition assays were performed in 96-well black plates. The reaction was initiated by the addition of substrate solution. The progress of t...


Bioorg Med Chem 16: 6911-23 (2008)


Article DOI: 10.1016/j.bmc.2008.05.048
BindingDB Entry DOI: 10.7270/Q2C53J5R
More data for this
Ligand-Target Pair
Calpain-2


(Ovis aries (sheep))
BDBM25887
PNG
((2S)-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]-2...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1cccs1)C(C)C)C=O
Show InChI InChI=1S/C16H24N2O3S/c1-10(2)8-12(9-19)17-16(21)14(11(3)4)18-15(20)13-6-5-7-22-13/h5-7,9-12,14H,8H2,1-4H3,(H,17,21)(H,18,20)/t12-,14-/m0/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 100n/an/an/an/a7.525



University of Canterbury



Assay Description
Calpain inhibition assays were performed in 96-well black plates. The reaction was initiated by the addition of substrate solution. The progress of t...


Bioorg Med Chem 16: 6911-23 (2008)


Article DOI: 10.1016/j.bmc.2008.05.048
BindingDB Entry DOI: 10.7270/Q2C53J5R
More data for this
Ligand-Target Pair
Calpain-2


(Ovis aries (sheep))
BDBM25892
PNG
((2S)-2-[(4-formyl-1H-pyrrol-2-yl)formamido]-3-meth...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1cc(C=O)c[nH]1)C(C)C)C=O
Show InChI InChI=1S/C17H25N3O4/c1-10(2)5-13(9-22)19-17(24)15(11(3)4)20-16(23)14-6-12(8-21)7-18-14/h6-11,13,15,18H,5H2,1-4H3,(H,19,24)(H,20,23)/t13-,15-/m0/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 100n/an/an/an/a7.525



University of Canterbury



Assay Description
Calpain inhibition assays were performed in 96-well black plates. The reaction was initiated by the addition of substrate solution. The progress of t...


Bioorg Med Chem 16: 6911-23 (2008)


Article DOI: 10.1016/j.bmc.2008.05.048
BindingDB Entry DOI: 10.7270/Q2C53J5R
More data for this
Ligand-Target Pair
Calpain-2


(Ovis aries (sheep))
BDBM25894
PNG
((2S)-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]-2...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1ccc(C)[nH]1)C(C)C)C=O
Show InChI InChI=1S/C17H27N3O3/c1-10(2)8-13(9-21)19-17(23)15(11(3)4)20-16(22)14-7-6-12(5)18-14/h6-7,9-11,13,15,18H,8H2,1-5H3,(H,19,23)(H,20,22)/t13-,15-/m0/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 110n/an/an/an/a7.525



University of Canterbury



Assay Description
Calpain inhibition assays were performed in 96-well black plates. The reaction was initiated by the addition of substrate solution. The progress of t...


Bioorg Med Chem 16: 6911-23 (2008)


Article DOI: 10.1016/j.bmc.2008.05.048
BindingDB Entry DOI: 10.7270/Q2C53J5R
More data for this
Ligand-Target Pair
Calpain 1


(Rattus norvegicus)
BDBM50358142
PNG
(CHEMBL1923965)
Show SMILES CCC[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)N[C@@H](CC(C)C)C=O
Show InChI InChI=1S/C17H25FN2O4S/c1-4-5-16(17(22)19-14(11-21)10-12(2)3)20-25(23,24)15-8-6-13(18)7-9-15/h6-9,11-12,14,16,20H,4-5,10H2,1-3H3,(H,19,22)/t14-,16-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 130n/an/an/an/an/an/a



University of Canterbury

Curated by ChEMBL


Assay Description
Inhibition of rat CAPN1 using BODIPY-labeled casein substrate by fluorometric analysis


J Med Chem 54: 7503-22 (2011)


Article DOI: 10.1021/jm200471r
BindingDB Entry DOI: 10.7270/Q2F47PJ4
More data for this
Ligand-Target Pair
Calpain-2


(Ovis aries (sheep))
BDBM25886
PNG
((2S)-2-(furan-2-ylformamido)-3-methyl-N-[(2S)-4-me...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1ccco1)C(C)C)C=O
Show InChI InChI=1S/C16H24N2O4/c1-10(2)8-12(9-19)17-16(21)14(11(3)4)18-15(20)13-6-5-7-22-13/h5-7,9-12,14H,8H2,1-4H3,(H,17,21)(H,18,20)/t12-,14-/m0/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 135n/an/an/an/a7.525



University of Canterbury



Assay Description
Calpain inhibition assays were performed in 96-well black plates. The reaction was initiated by the addition of substrate solution. The progress of t...


Bioorg Med Chem 16: 6911-23 (2008)


Article DOI: 10.1016/j.bmc.2008.05.048
BindingDB Entry DOI: 10.7270/Q2C53J5R
More data for this
Ligand-Target Pair
Calpain-2


(Ovis aries (sheep))
BDBM25895
PNG
(N-heterocyclic dipeptide aldehyde, 13 | methyl 5-{...)
Show SMILES COC(=O)c1ccc([nH]1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C=O
Show InChI InChI=1S/C18H27N3O5/c1-10(2)8-12(9-22)19-17(24)15(11(3)4)21-16(23)13-6-7-14(20-13)18(25)26-5/h6-7,9-12,15,20H,8H2,1-5H3,(H,19,24)(H,21,23)/t12-,15-/m0/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 140n/an/an/an/a7.525



University of Canterbury



Assay Description
Calpain inhibition assays were performed in 96-well black plates. The reaction was initiated by the addition of substrate solution. The progress of t...


Bioorg Med Chem 16: 6911-23 (2008)


Article DOI: 10.1016/j.bmc.2008.05.048
BindingDB Entry DOI: 10.7270/Q2C53J5R
More data for this
Ligand-Target Pair
Calpain-1


(Ovis aries (sheep))
BDBM25893
PNG
((2S)-2-[(5-formyl-1-methyl-1H-pyrrol-2-yl)formamid...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1ccc(C=O)n1C)C(C)C)C=O
Show InChI InChI=1S/C18H27N3O4/c1-11(2)8-13(9-22)19-18(25)16(12(3)4)20-17(24)15-7-6-14(10-23)21(15)5/h6-7,9-13,16H,8H2,1-5H3,(H,19,25)(H,20,24)/t13-,16-/m0/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 150n/an/an/an/a7.525



University of Canterbury



Assay Description
Calpain inhibition assays were performed in 96-well black plates. The reaction was initiated by the addition of substrate solution. The progress of t...


Bioorg Med Chem 16: 6911-23 (2008)


Article DOI: 10.1016/j.bmc.2008.05.048
BindingDB Entry DOI: 10.7270/Q2C53J5R
More data for this
Ligand-Target Pair
Calpain-2


(Ovis aries (sheep))
BDBM25893
PNG
((2S)-2-[(5-formyl-1-methyl-1H-pyrrol-2-yl)formamid...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1ccc(C=O)n1C)C(C)C)C=O
Show InChI InChI=1S/C18H27N3O4/c1-11(2)8-13(9-22)19-18(25)16(12(3)4)20-17(24)15-7-6-14(10-23)21(15)5/h6-7,9-13,16H,8H2,1-5H3,(H,19,25)(H,20,24)/t13-,16-/m0/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 150n/an/an/an/a7.525



University of Canterbury



Assay Description
Calpain inhibition assays were performed in 96-well black plates. The reaction was initiated by the addition of substrate solution. The progress of t...


Bioorg Med Chem 16: 6911-23 (2008)


Article DOI: 10.1016/j.bmc.2008.05.048
BindingDB Entry DOI: 10.7270/Q2C53J5R
More data for this
Ligand-Target Pair
Calpain-2 (m-Calpain)


(Homo sapiens (Human))
BDBM50358155
PNG
(CHEMBL1921832)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(OCCCCC[C@H](NC1=O)C=O)cc2)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C30H39N3O6/c1-21(2)17-26-28(35)31-24(19-34)11-7-4-8-16-38-25-14-12-22(13-15-25)18-27(29(36)32-26)33-30(37)39-20-23-9-5-3-6-10-23/h3,5-6,9-10,12-15,19,21,24,26-27H,4,7-8,11,16-18,20H2,1-2H3,(H,31,35)(H,32,36)(H,33,37)/t24-,26-,27-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 180n/an/an/an/an/an/a



University of Canterbury

Curated by ChEMBL


Assay Description
Inhibition of CAPN2 using BODIPY-labeled casein substrate by fluorometric analysis


J Med Chem 54: 7503-22 (2011)


Article DOI: 10.1021/jm200471r
BindingDB Entry DOI: 10.7270/Q2F47PJ4
More data for this
Ligand-Target Pair
Calpain 1


(Rattus norvegicus)
BDBM50358143
PNG
(CHEMBL1923966)
Show SMILES CCCC[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)N[C@@H](CC(C)C)C=O
Show InChI InChI=1S/C18H27FN2O4S/c1-4-5-6-17(18(23)20-15(12-22)11-13(2)3)21-26(24,25)16-9-7-14(19)8-10-16/h7-10,12-13,15,17,21H,4-6,11H2,1-3H3,(H,20,23)/t15-,17-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 260n/an/an/an/an/an/a



University of Canterbury

Curated by ChEMBL


Assay Description
Inhibition of rat CAPN1 using BODIPY-labeled casein substrate by fluorometric analysis


J Med Chem 54: 7503-22 (2011)


Article DOI: 10.1021/jm200471r
BindingDB Entry DOI: 10.7270/Q2F47PJ4
More data for this
Ligand-Target Pair
Calpain-2 (m-Calpain)


(Homo sapiens (Human))
BDBM50358148
PNG
(CHEMBL1921825)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(OCCCC[C@H](NC1=O)C=O)cc2)NS(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C26H32FN3O6S/c1-17(2)24-26(33)28-20(16-31)5-3-4-14-36-21-10-6-18(7-11-21)15-23(25(32)29-24)30-37(34,35)22-12-8-19(27)9-13-22/h6-13,16-17,20,23-24,30H,3-5,14-15H2,1-2H3,(H,28,33)(H,29,32)/t20-,23-,24-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 280n/an/an/an/an/an/a



University of Canterbury

Curated by ChEMBL


Assay Description
Inhibition of CAPN2 using BODIPY-labeled casein substrate by fluorometric analysis


J Med Chem 54: 7503-22 (2011)


Article DOI: 10.1021/jm200471r
BindingDB Entry DOI: 10.7270/Q2F47PJ4
More data for this
Ligand-Target Pair
Calpain-1


(Ovis aries (sheep))
BDBM25895
PNG
(N-heterocyclic dipeptide aldehyde, 13 | methyl 5-{...)
Show SMILES COC(=O)c1ccc([nH]1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C=O
Show InChI InChI=1S/C18H27N3O5/c1-10(2)8-12(9-22)19-17(24)15(11(3)4)21-16(23)13-6-7-14(20-13)18(25)26-5/h6-7,9-12,15,20H,8H2,1-5H3,(H,19,24)(H,21,23)/t12-,15-/m0/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 290n/an/an/an/a7.525



University of Canterbury



Assay Description
Calpain inhibition assays were performed in 96-well black plates. The reaction was initiated by the addition of substrate solution. The progress of t...


Bioorg Med Chem 16: 6911-23 (2008)


Article DOI: 10.1016/j.bmc.2008.05.048
BindingDB Entry DOI: 10.7270/Q2C53J5R
More data for this
Ligand-Target Pair
Calpain-1


(Ovis aries (sheep))
BDBM25891
PNG
((2S)-2-[(5-formyl-1H-pyrrol-2-yl)formamido]-3-meth...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1ccc(C=O)[nH]1)C(C)C)C=O
Show InChI InChI=1S/C17H25N3O4/c1-10(2)7-13(9-22)19-17(24)15(11(3)4)20-16(23)14-6-5-12(8-21)18-14/h5-6,8-11,13,15,18H,7H2,1-4H3,(H,19,24)(H,20,23)/t13-,15-/m0/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 290n/an/an/an/a7.525



University of Canterbury



Assay Description
Calpain inhibition assays were performed in 96-well black plates. The reaction was initiated by the addition of substrate solution. The progress of t...


Bioorg Med Chem 16: 6911-23 (2008)


Article DOI: 10.1016/j.bmc.2008.05.048
BindingDB Entry DOI: 10.7270/Q2C53J5R
More data for this
Ligand-Target Pair
Calpain-2 (m-Calpain)


(Homo sapiens (Human))
BDBM50358157
PNG
(CHEMBL1921834)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(OCCCCSC[C@H](NC1=O)C=O)cc2)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C29H37N3O6S/c1-20(2)26-28(35)30-23(17-33)19-39-15-7-6-14-37-24-12-10-21(11-13-24)16-25(27(34)32-26)31-29(36)38-18-22-8-4-3-5-9-22/h3-5,8-13,17,20,23,25-26H,6-7,14-16,18-19H2,1-2H3,(H,30,35)(H,31,36)(H,32,34)/t23-,25+,26+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 295n/an/an/an/an/an/a



University of Canterbury

Curated by ChEMBL


Assay Description
Inhibition of CAPN2 using BODIPY-labeled casein substrate by fluorometric analysis


J Med Chem 54: 7503-22 (2011)


Article DOI: 10.1021/jm200471r
BindingDB Entry DOI: 10.7270/Q2F47PJ4
More data for this
Ligand-Target Pair
Calpain-2


(Ovis aries (sheep))
BDBM25888
PNG
((2S)-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]-2...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1ccc[nH]1)C(C)C)C=O
Show InChI InChI=1S/C16H25N3O3/c1-10(2)8-12(9-20)18-16(22)14(11(3)4)19-15(21)13-6-5-7-17-13/h5-7,9-12,14,17H,8H2,1-4H3,(H,18,22)(H,19,21)/t12-,14-/m0/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 315n/an/an/an/a7.525



University of Canterbury



Assay Description
Calpain inhibition assays were performed in 96-well black plates. The reaction was initiated by the addition of substrate solution. The progress of t...


Bioorg Med Chem 16: 6911-23 (2008)


Article DOI: 10.1016/j.bmc.2008.05.048
BindingDB Entry DOI: 10.7270/Q2C53J5R
More data for this
Ligand-Target Pair
Calpain-1


(Ovis aries (sheep))
BDBM25894
PNG
((2S)-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]-2...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1ccc(C)[nH]1)C(C)C)C=O
Show InChI InChI=1S/C17H27N3O3/c1-10(2)8-13(9-21)19-17(23)15(11(3)4)20-16(22)14-7-6-12(5)18-14/h6-7,9-11,13,15,18H,8H2,1-5H3,(H,19,23)(H,20,22)/t13-,15-/m0/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 340n/an/an/an/a7.525



University of Canterbury



Assay Description
Calpain inhibition assays were performed in 96-well black plates. The reaction was initiated by the addition of substrate solution. The progress of t...


Bioorg Med Chem 16: 6911-23 (2008)


Article DOI: 10.1016/j.bmc.2008.05.048
BindingDB Entry DOI: 10.7270/Q2C53J5R
More data for this
Ligand-Target Pair
Calpain-1


(Ovis aries (sheep))
BDBM25890
PNG
((2S)-2-[(5-formylthiophen-2-yl)formamido]-3-methyl...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1ccc(C=O)s1)C(C)C)C=O
Show InChI InChI=1S/C17H24N2O4S/c1-10(2)7-12(8-20)18-17(23)15(11(3)4)19-16(22)14-6-5-13(9-21)24-14/h5-6,8-12,15H,7H2,1-4H3,(H,18,23)(H,19,22)/t12-,15-/m0/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 440n/an/an/an/a7.525



University of Canterbury



Assay Description
Calpain inhibition assays were performed in 96-well black plates. The reaction was initiated by the addition of substrate solution. The progress of t...


Bioorg Med Chem 16: 6911-23 (2008)


Article DOI: 10.1016/j.bmc.2008.05.048
BindingDB Entry DOI: 10.7270/Q2C53J5R
More data for this
Ligand-Target Pair
Calpain-1


(Ovis aries (sheep))
BDBM25892
PNG
((2S)-2-[(4-formyl-1H-pyrrol-2-yl)formamido]-3-meth...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1cc(C=O)c[nH]1)C(C)C)C=O
Show InChI InChI=1S/C17H25N3O4/c1-10(2)5-13(9-22)19-17(24)15(11(3)4)20-16(23)14-6-12(8-21)7-18-14/h6-11,13,15,18H,5H2,1-4H3,(H,19,24)(H,20,23)/t13-,15-/m0/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 530n/an/an/an/a7.525



University of Canterbury



Assay Description
Calpain inhibition assays were performed in 96-well black plates. The reaction was initiated by the addition of substrate solution. The progress of t...


Bioorg Med Chem 16: 6911-23 (2008)


Article DOI: 10.1016/j.bmc.2008.05.048
BindingDB Entry DOI: 10.7270/Q2C53J5R
More data for this
Ligand-Target Pair
Calpain 1


(Rattus norvegicus)
BDBM50358135
PNG
(CHEMBL1923958)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)N[C@@H](C)C=O
Show InChI InChI=1S/C14H19FN2O4S/c1-9(2)13(14(19)16-10(3)8-18)17-22(20,21)12-6-4-11(15)5-7-12/h4-10,13,17H,1-3H3,(H,16,19)/t10-,13-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 630n/an/an/an/an/an/a



University of Canterbury

Curated by ChEMBL


Assay Description
Inhibition of rat CAPN1 using BODIPY-labeled casein substrate by fluorometric analysis


J Med Chem 54: 7503-22 (2011)


Article DOI: 10.1021/jm200471r
BindingDB Entry DOI: 10.7270/Q2F47PJ4
More data for this
Ligand-Target Pair
Calpain-1


(Ovis aries (sheep))
BDBM25888
PNG
((2S)-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]-2...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1ccc[nH]1)C(C)C)C=O
Show InChI InChI=1S/C16H25N3O3/c1-10(2)8-12(9-20)18-16(22)14(11(3)4)19-15(21)13-6-5-7-17-13/h5-7,9-12,14,17H,8H2,1-4H3,(H,18,22)(H,19,21)/t12-,14-/m0/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 650n/an/an/an/a7.525



University of Canterbury



Assay Description
Calpain inhibition assays were performed in 96-well black plates. The reaction was initiated by the addition of substrate solution. The progress of t...


Bioorg Med Chem 16: 6911-23 (2008)


Article DOI: 10.1016/j.bmc.2008.05.048
BindingDB Entry DOI: 10.7270/Q2C53J5R
More data for this
Ligand-Target Pair
Calpain-1


(Ovis aries (sheep))
BDBM25887
PNG
((2S)-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]-2...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1cccs1)C(C)C)C=O
Show InChI InChI=1S/C16H24N2O3S/c1-10(2)8-12(9-19)17-16(21)14(11(3)4)18-15(20)13-6-5-7-22-13/h5-7,9-12,14H,8H2,1-4H3,(H,17,21)(H,18,20)/t12-,14-/m0/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 680n/an/an/an/a7.525



University of Canterbury



Assay Description
Calpain inhibition assays were performed in 96-well black plates. The reaction was initiated by the addition of substrate solution. The progress of t...


Bioorg Med Chem 16: 6911-23 (2008)


Article DOI: 10.1016/j.bmc.2008.05.048
BindingDB Entry DOI: 10.7270/Q2C53J5R
More data for this
Ligand-Target Pair
Calpain-2 (m-Calpain)


(Homo sapiens (Human))
BDBM50358154
PNG
(CHEMBL1921831)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(OCCCC[C@@H](CO)NC1=O)cc2)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C29H39N3O6/c1-20(2)16-25-27(34)30-23(18-33)10-6-7-15-37-24-13-11-21(12-14-24)17-26(28(35)31-25)32-29(36)38-19-22-8-4-3-5-9-22/h3-5,8-9,11-14,20,23,25-26,33H,6-7,10,15-19H2,1-2H3,(H,30,34)(H,31,35)(H,32,36)/t23-,25-,26-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 700n/an/an/an/an/an/a



University of Canterbury

Curated by ChEMBL


Assay Description
Inhibition of CAPN2 using BODIPY-labeled casein substrate by fluorometric analysis


J Med Chem 54: 7503-22 (2011)


Article DOI: 10.1021/jm200471r
BindingDB Entry DOI: 10.7270/Q2F47PJ4
More data for this
Ligand-Target Pair
Calpain-1


(Ovis aries (sheep))
BDBM25886
PNG
((2S)-2-(furan-2-ylformamido)-3-methyl-N-[(2S)-4-me...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1ccco1)C(C)C)C=O
Show InChI InChI=1S/C16H24N2O4/c1-10(2)8-12(9-19)17-16(21)14(11(3)4)18-15(20)13-6-5-7-22-13/h5-7,9-12,14H,8H2,1-4H3,(H,17,21)(H,18,20)/t12-,14-/m0/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 790n/an/an/an/a7.525



University of Canterbury



Assay Description
Calpain inhibition assays were performed in 96-well black plates. The reaction was initiated by the addition of substrate solution. The progress of t...


Bioorg Med Chem 16: 6911-23 (2008)


Article DOI: 10.1016/j.bmc.2008.05.048
BindingDB Entry DOI: 10.7270/Q2C53J5R
More data for this
Ligand-Target Pair
Calpain 1


(Rattus norvegicus)
BDBM50358141
PNG
(CHEMBL1923964)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NS(C)(=O)=O)C(C)C)C=O
Show InChI InChI=1S/C12H24N2O4S/c1-8(2)6-10(7-15)13-12(16)11(9(3)4)14-19(5,17)18/h7-11,14H,6H2,1-5H3,(H,13,16)/t10-,11-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

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



University of Canterbury

Curated by ChEMBL


Assay Description
Inhibition of rat CAPN1 using BODIPY-labeled casein substrate by fluorometric analysis


J Med Chem 54: 7503-22 (2011)


Article DOI: 10.1021/jm200471r
BindingDB Entry DOI: 10.7270/Q2F47PJ4
More data for this
Ligand-Target Pair
Calpain-2 (m-Calpain)


(Homo sapiens (Human))
BDBM50358150
PNG
(CHEMBL1921827)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(OCCC[C@H](NC1=O)C=O)cc2)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C28H35N3O6/c1-19(2)15-24-26(33)29-22(17-32)9-6-14-36-23-12-10-20(11-13-23)16-25(27(34)30-24)31-28(35)37-18-21-7-4-3-5-8-21/h3-5,7-8,10-13,17,19,22,24-25H,6,9,14-16,18H2,1-2H3,(H,29,33)(H,30,34)(H,31,35)/t22-,24-,25-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 850n/an/an/an/an/an/a



University of Canterbury

Curated by ChEMBL


Assay Description
Inhibition of CAPN2 using BODIPY-labeled casein substrate by fluorometric analysis


J Med Chem 54: 7503-22 (2011)


Article DOI: 10.1021/jm200471r
BindingDB Entry DOI: 10.7270/Q2F47PJ4
More data for this
Ligand-Target Pair
Calpain-1


(Ovis aries (sheep))
BDBM25889
PNG
((2S)-2-[(5-formylfuran-2-yl)formamido]-3-methyl-N-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1ccc(C=O)o1)C(C)C)C=O
Show InChI InChI=1S/C17H24N2O5/c1-10(2)7-12(8-20)18-17(23)15(11(3)4)19-16(22)14-6-5-13(9-21)24-14/h5-6,8-12,15H,7H2,1-4H3,(H,18,23)(H,19,22)/t12-,15-/m0/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 960n/an/an/an/a7.525



University of Canterbury



Assay Description
Calpain inhibition assays were performed in 96-well black plates. The reaction was initiated by the addition of substrate solution. The progress of t...


Bioorg Med Chem 16: 6911-23 (2008)


Article DOI: 10.1016/j.bmc.2008.05.048
BindingDB Entry DOI: 10.7270/Q2C53J5R
More data for this
Ligand-Target Pair
Calpain-2 (m-Calpain)


(Homo sapiens (Human))
BDBM50358158
PNG
(CHEMBL1921835)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(OCCCCSC[C@H](NC1=O)C=O)cc2)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C30H39N3O6S/c1-21(2)16-26-28(35)31-24(18-34)20-40-15-7-6-14-38-25-12-10-22(11-13-25)17-27(29(36)32-26)33-30(37)39-19-23-8-4-3-5-9-23/h3-5,8-13,18,21,24,26-27H,6-7,14-17,19-20H2,1-2H3,(H,31,35)(H,32,36)(H,33,37)/t24-,26+,27+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.01E+3n/an/an/an/an/an/a



University of Canterbury

Curated by ChEMBL


Assay Description
Inhibition of CAPN2 using BODIPY-labeled casein substrate by fluorometric analysis


J Med Chem 54: 7503-22 (2011)


Article DOI: 10.1021/jm200471r
BindingDB Entry DOI: 10.7270/Q2F47PJ4
More data for this
Ligand-Target Pair
Calpain-2 (m-Calpain)


(Homo sapiens (Human))
BDBM50358156
PNG
(CHEMBL1921833)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(OCCCCC[C@@H](CO)NC1=O)cc2)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C30H41N3O6/c1-21(2)17-26-28(35)31-24(19-34)11-7-4-8-16-38-25-14-12-22(13-15-25)18-27(29(36)32-26)33-30(37)39-20-23-9-5-3-6-10-23/h3,5-6,9-10,12-15,21,24,26-27,34H,4,7-8,11,16-20H2,1-2H3,(H,31,35)(H,32,36)(H,33,37)/t24-,26-,27-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



University of Canterbury

Curated by ChEMBL


Assay Description
Inhibition of CAPN2 using BODIPY-labeled casein substrate by fluorometric analysis


J Med Chem 54: 7503-22 (2011)


Article DOI: 10.1021/jm200471r
BindingDB Entry DOI: 10.7270/Q2F47PJ4
More data for this
Ligand-Target Pair
Calpain-2 (m-Calpain)


(Homo sapiens (Human))
BDBM50358149
PNG
(CHEMBL1921826)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(OCCCCSC[C@H](NC1=O)C=O)cc2)NS(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C27H34FN3O6S2/c1-18(2)25-27(34)29-21(16-32)17-38-14-4-3-13-37-22-9-5-19(6-10-22)15-24(26(33)30-25)31-39(35,36)23-11-7-20(28)8-12-23/h5-12,16,18,21,24-25,31H,3-4,13-15,17H2,1-2H3,(H,29,34)(H,30,33)/t21-,24+,25+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.40E+3n/an/an/an/an/an/a



University of Canterbury

Curated by ChEMBL


Assay Description
Inhibition of CAPN2 using BODIPY-labeled casein substrate by fluorometric analysis


J Med Chem 54: 7503-22 (2011)


Article DOI: 10.1021/jm200471r
BindingDB Entry DOI: 10.7270/Q2F47PJ4
More data for this
Ligand-Target Pair
Calpain-2 (m-Calpain)


(Homo sapiens (Human))
BDBM50358147
PNG
(CHEMBL1921824)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(OCCC[C@H](NC1=O)C=O)cc2)NS(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C25H30FN3O6S/c1-16(2)23-25(32)27-19(15-30)4-3-13-35-20-9-5-17(6-10-20)14-22(24(31)28-23)29-36(33,34)21-11-7-18(26)8-12-21/h5-12,15-16,19,22-23,29H,3-4,13-14H2,1-2H3,(H,27,32)(H,28,31)/t19-,22-,23-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.71E+3n/an/an/an/an/an/a



University of Canterbury

Curated by ChEMBL


Assay Description
Inhibition of CAPN2 using BODIPY-labeled casein substrate by fluorometric analysis


J Med Chem 54: 7503-22 (2011)


Article DOI: 10.1021/jm200471r
BindingDB Entry DOI: 10.7270/Q2F47PJ4
More data for this
Ligand-Target Pair
Calpain 1


(Rattus norvegicus)
BDBM50124010
PNG
(2-(4-Fluoro-benzenesulfonylamino)-N-(1-formyl-3-me...)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(C)C)C=O
Show InChI InChI=1S/C17H25FN2O4S/c1-11(2)9-14(10-21)19-17(22)16(12(3)4)20-25(23,24)15-7-5-13(18)6-8-15/h5-8,10-12,14,16,20H,9H2,1-4H3,(H,19,22)/t14-,16+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.40E+4n/an/an/an/an/an/a



University of Canterbury

Curated by ChEMBL


Assay Description
Inhibition of rat CAPN1 using BODIPY-labeled casein substrate by fluorometric analysis


J Med Chem 54: 7503-22 (2011)


Article DOI: 10.1021/jm200471r
BindingDB Entry DOI: 10.7270/Q2F47PJ4
More data for this
Ligand-Target Pair
Calpain 1


(Rattus norvegicus)
BDBM50358144
PNG
(CHEMBL1923967)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C(C)C)N(C)S(=O)(=O)c1ccc(F)cc1)C=O
Show InChI InChI=1S/C18H27FN2O4S/c1-12(2)10-15(11-22)20-18(23)17(13(3)4)21(5)26(24,25)16-8-6-14(19)7-9-16/h6-9,11-13,15,17H,10H2,1-5H3,(H,20,23)/t15-,17-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 2.10E+4n/an/an/an/an/an/a



University of Canterbury

Curated by ChEMBL


Assay Description
Inhibition of rat CAPN1 using BODIPY-labeled casein substrate by fluorometric analysis


J Med Chem 54: 7503-22 (2011)


Article DOI: 10.1021/jm200471r
BindingDB Entry DOI: 10.7270/Q2F47PJ4
More data for this
Ligand-Target Pair
Calpain-2 (m-Calpain)


(Homo sapiens (Human))
BDBM50358159
PNG
(CHEMBL1921836)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(OCCCCSC[C@@H](CO)NC1=O)cc2)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C30H41N3O6S/c1-21(2)16-26-28(35)31-24(18-34)20-40-15-7-6-14-38-25-12-10-22(11-13-25)17-27(29(36)32-26)33-30(37)39-19-23-8-4-3-5-9-23/h3-5,8-13,21,24,26-27,34H,6-7,14-20H2,1-2H3,(H,31,35)(H,32,36)(H,33,37)/t24-,26+,27+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



University of Canterbury

Curated by ChEMBL


Assay Description
Inhibition of CAPN2 using BODIPY-labeled casein substrate by fluorometric analysis


J Med Chem 54: 7503-22 (2011)


Article DOI: 10.1021/jm200471r
BindingDB Entry DOI: 10.7270/Q2F47PJ4
More data for this
Ligand-Target Pair
Calpain-2 (m-Calpain)


(Homo sapiens (Human))
BDBM50358151
PNG
(CHEMBL1921828)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(OCCC[C@@H](CO)NC1=O)cc2)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C28H37N3O6/c1-19(2)15-24-26(33)29-22(17-32)9-6-14-36-23-12-10-20(11-13-23)16-25(27(34)30-24)31-28(35)37-18-21-7-4-3-5-8-21/h3-5,7-8,10-13,19,22,24-25,32H,6,9,14-18H2,1-2H3,(H,29,33)(H,30,34)(H,31,35)/t22-,24-,25-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.10E+4n/an/an/an/an/an/a



University of Canterbury

Curated by ChEMBL


Assay Description
Inhibition of CAPN2 using BODIPY-labeled casein substrate by fluorometric analysis


J Med Chem 54: 7503-22 (2011)


Article DOI: 10.1021/jm200471r
BindingDB Entry DOI: 10.7270/Q2F47PJ4
More data for this
Ligand-Target Pair
Calpain 1


(Rattus norvegicus)
BDBM50358145
PNG
(CHEMBL1923968)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](NS(=O)(=O)c1ccc(F)cc1)C(C)C)C=O
Show InChI InChI=1S/C17H25FN2O4S/c1-11(2)9-14(10-21)19-17(22)16(12(3)4)20-25(23,24)15-7-5-13(18)6-8-15/h5-8,10-12,14,16,20H,9H2,1-4H3,(H,19,22)/t14-,16+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 4.20E+4n/an/an/an/an/an/a



University of Canterbury

Curated by ChEMBL


Assay Description
Inhibition of rat CAPN1 using BODIPY-labeled casein substrate by fluorometric analysis


J Med Chem 54: 7503-22 (2011)


Article DOI: 10.1021/jm200471r
BindingDB Entry DOI: 10.7270/Q2F47PJ4
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 51 total )  |  Next  |  Last  >>
Jump to: