Found 8 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 |
|---|
Cathepsin B
(Homo sapiens (Human)) | BDBM50069985
((S)-4-methyl-2-(3-phenyl-propionylamino)-pentanoic...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C=O |r| Show InChI InChI=1S/C26H41N3O5/c1-17(2)12-21(15-30)27-24(31)22(13-18(3)4)28-25(32)23(14-19(5)6)29-26(33)34-16-20-10-8-7-9-11-20/h7-11,15,17-19,21-23H,12-14,16H2,1-6H3,(H,27,31)(H,28,32)(H,29,33)/t21-,22-,23-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Whitman College
Curated by ChEMBL
| Assay Description
Inhibition of human liver cathepsin B using Cbz-RR-AMC as substrate by fluorometric assay |
ACS Med Chem Lett 7: 250-5 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00401
BindingDB Entry DOI: 10.7270/Q2222WPD |
More data for this
Ligand-Target Pair | |
Calpain-2 catalytic subunit
(Homo sapiens (Human)) | BDBM50069985
((S)-4-methyl-2-(3-phenyl-propionylamino)-pentanoic...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C=O |r| Show InChI InChI=1S/C26H41N3O5/c1-17(2)12-21(15-30)27-24(31)22(13-18(3)4)28-25(32)23(14-19(5)6)29-26(33)34-16-20-10-8-7-9-11-20/h7-11,15,17-19,21-23H,12-14,16H2,1-6H3,(H,27,31)(H,28,32)(H,29,33)/t21-,22-,23-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 653 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Whitman College
Curated by ChEMBL
| Assay Description
Inhibition of m-calpain (unknown origin) using Suc-LY-AMC as substrate by fluorometric assay |
ACS Med Chem Lett 7: 250-5 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00401
BindingDB Entry DOI: 10.7270/Q2222WPD |
More data for this
Ligand-Target Pair | |
Calpain-2 catalytic subunit
(Homo sapiens (Human)) | BDBM50169089
(CHEMBL3804980)Show SMILES COc1ccc(C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C=O)cc1 |r| Show InChI InChI=1S/C42H48N4O7/c1-29(2)23-34(27-47)43-39(48)36(24-30-13-7-4-8-14-30)44-40(49)37(26-32-19-21-35(52-3)22-20-32)45-41(50)38(25-31-15-9-5-10-16-31)46-42(51)53-28-33-17-11-6-12-18-33/h4-22,27,29,34,36-38H,23-26,28H2,1-3H3,(H,43,48)(H,44,49)(H,45,50)(H,46,51)/t34-,36-,37-,38-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.71E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Whitman College
Curated by ChEMBL
| Assay Description
Inhibition of m-calpain (unknown origin) using Suc-LY-AMC as substrate by fluorometric assay |
ACS Med Chem Lett 7: 250-5 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00401
BindingDB Entry DOI: 10.7270/Q2222WPD |
More data for this
Ligand-Target Pair | |
Calpain-2 catalytic subunit
(Homo sapiens (Human)) | BDBM50169088
(CHEMBL3806032)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1Cc2ccc(Oc3cc(C[C@H](NC(=O)OCc4ccccc4)C(=O)N[C@@H](CC(C)C)C(=O)N1)ccc3[N+]([O-])=O)cc2)C=O |r| Show InChI InChI=1S/C38H45N5O9/c1-23(2)16-28(21-44)39-35(45)31-18-25-10-13-29(14-11-25)52-34-20-27(12-15-33(34)43(49)50)19-32(37(47)40-30(17-24(3)4)36(46)41-31)42-38(48)51-22-26-8-6-5-7-9-26/h5-15,20-21,23-24,28,30-32H,16-19,22H2,1-4H3,(H,39,45)(H,40,47)(H,41,46)(H,42,48)/t28-,30-,31-,32-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.03E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Whitman College
Curated by ChEMBL
| Assay Description
Inhibition of m-calpain (unknown origin) using Suc-LY-AMC as substrate by fluorometric assay |
ACS Med Chem Lett 7: 250-5 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00401
BindingDB Entry DOI: 10.7270/Q2222WPD |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50169089
(CHEMBL3804980)Show SMILES COc1ccc(C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C=O)cc1 |r| Show InChI InChI=1S/C42H48N4O7/c1-29(2)23-34(27-47)43-39(48)36(24-30-13-7-4-8-14-30)44-40(49)37(26-32-19-21-35(52-3)22-20-32)45-41(50)38(25-31-15-9-5-10-16-31)46-42(51)53-28-33-17-11-6-12-18-33/h4-22,27,29,34,36-38H,23-26,28H2,1-3H3,(H,43,48)(H,44,49)(H,45,50)(H,46,51)/t34-,36-,37-,38-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.29E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Whitman College
Curated by ChEMBL
| Assay Description
Inhibition of human liver cathepsin B using Cbz-RR-AMC as substrate by fluorometric assay |
ACS Med Chem Lett 7: 250-5 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00401
BindingDB Entry DOI: 10.7270/Q2222WPD |
More data for this
Ligand-Target Pair | |
Calpain-2 catalytic subunit
(Homo sapiens (Human)) | BDBM50169087
(CHEMBL3805992)Show SMILES COc1ccc(C[C@@H]2NC(=O)[C@H](Cc3ccc(c(Oc4ccc(C[C@H](NC2=O)C(=O)N[C@@H](CC(C)C)C=O)cc4)c3)[N+]([O-])=O)NC(=O)OCc2ccccc2)cc1 |r| Show InChI InChI=1S/C42H45N5O10/c1-26(2)19-31(24-48)43-39(49)34-20-28-11-16-33(17-12-28)57-38-23-30(13-18-37(38)47(53)54)22-36(46-42(52)56-25-29-7-5-4-6-8-29)41(51)45-35(40(50)44-34)21-27-9-14-32(55-3)15-10-27/h4-18,23-24,26,31,34-36H,19-22,25H2,1-3H3,(H,43,49)(H,44,50)(H,45,51)(H,46,52)/t31-,34-,35-,36-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.98E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Whitman College
Curated by ChEMBL
| Assay Description
Inhibition of m-calpain (unknown origin) using Suc-LY-AMC as substrate by fluorometric assay |
ACS Med Chem Lett 7: 250-5 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00401
BindingDB Entry DOI: 10.7270/Q2222WPD |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50169088
(CHEMBL3806032)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1Cc2ccc(Oc3cc(C[C@H](NC(=O)OCc4ccccc4)C(=O)N[C@@H](CC(C)C)C(=O)N1)ccc3[N+]([O-])=O)cc2)C=O |r| Show InChI InChI=1S/C38H45N5O9/c1-23(2)16-28(21-44)39-35(45)31-18-25-10-13-29(14-11-25)52-34-20-27(12-15-33(34)43(49)50)19-32(37(47)40-30(17-24(3)4)36(46)41-31)42-38(48)51-22-26-8-6-5-7-9-26/h5-15,20-21,23-24,28,30-32H,16-19,22H2,1-4H3,(H,39,45)(H,40,47)(H,41,46)(H,42,48)/t28-,30-,31-,32-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.05E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Whitman College
Curated by ChEMBL
| Assay Description
Inhibition of human liver cathepsin B using Cbz-RR-AMC as substrate by fluorometric assay |
ACS Med Chem Lett 7: 250-5 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00401
BindingDB Entry DOI: 10.7270/Q2222WPD |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50169087
(CHEMBL3805992)Show SMILES COc1ccc(C[C@@H]2NC(=O)[C@H](Cc3ccc(c(Oc4ccc(C[C@H](NC2=O)C(=O)N[C@@H](CC(C)C)C=O)cc4)c3)[N+]([O-])=O)NC(=O)OCc2ccccc2)cc1 |r| Show InChI InChI=1S/C42H45N5O10/c1-26(2)19-31(24-48)43-39(49)34-20-28-11-16-33(17-12-28)57-38-23-30(13-18-37(38)47(53)54)22-36(46-42(52)56-25-29-7-5-4-6-8-29)41(51)45-35(40(50)44-34)21-27-9-14-32(55-3)15-10-27/h4-18,23-24,26,31,34-36H,19-22,25H2,1-3H3,(H,43,49)(H,44,50)(H,45,51)(H,46,52)/t31-,34-,35-,36-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.03E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Whitman College
Curated by ChEMBL
| Assay Description
Inhibition of human liver cathepsin B using Cbz-RR-AMC as substrate by fluorometric assay |
ACS Med Chem Lett 7: 250-5 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00401
BindingDB Entry DOI: 10.7270/Q2222WPD |
More data for this
Ligand-Target Pair | |
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