Found 40 hits Enz. Inhib. hit(s) with all data for assayid = 5 entry = 50006790 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)) | BDBM50053813
((1-{1-Benzyl-2-oxo-2-[3-(3,4,4a,8a-tetrahydro-1H-i...)Show SMILES CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCCN1CCC2C=CC=CC2C1 |c:41,43| Show InChI InChI=1S/C36H46N4O5/c1-26(2)22-32(39-36(44)45-25-28-14-7-4-8-15-28)34(42)38-31(23-27-12-5-3-6-13-27)33(41)35(43)37-19-11-20-40-21-18-29-16-9-10-17-30(29)24-40/h3-10,12-17,26,29-32H,11,18-25H2,1-2H3,(H,37,43)(H,38,42)(H,39,44) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
School of Chemistry and Biochemistry
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin B |
J Med Chem 39: 4089-98 (1996)
Article DOI: 10.1021/jm950541c
BindingDB Entry DOI: 10.7270/Q2TX3DGR |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50053865
((3-Methyl-1-{1-[3-(3,4,4a,8a-tetrahydro-1H-isoquin...)Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCN1CCC2C=CC=CC2C1 |c:35,37| Show InChI InChI=1S/C31H44N4O5/c1-4-26(28(36)30(38)32-16-10-17-35-18-15-24-13-8-9-14-25(24)20-35)33-29(37)27(19-22(2)3)34-31(39)40-21-23-11-6-5-7-12-23/h5-9,11-14,22,24-27H,4,10,15-21H2,1-3H3,(H,32,38)(H,33,37)(H,34,39) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
School of Chemistry and Biochemistry
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin B |
J Med Chem 39: 4089-98 (1996)
Article DOI: 10.1021/jm950541c
BindingDB Entry DOI: 10.7270/Q2TX3DGR |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50042414
(CHEMBL119622 | {3-Methyl-1-[1-(3-phenyl-propylamin...)Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCc1ccccc1 Show InChI InChI=1S/C28H37N3O5/c1-4-23(25(32)27(34)29-17-11-16-21-12-7-5-8-13-21)30-26(33)24(18-20(2)3)31-28(35)36-19-22-14-9-6-10-15-22/h5-10,12-15,20,23-24H,4,11,16-19H2,1-3H3,(H,29,34)(H,30,33)(H,31,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
School of Chemistry and Biochemistry
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin B |
J Med Chem 39: 4089-98 (1996)
Article DOI: 10.1021/jm950541c
BindingDB Entry DOI: 10.7270/Q2TX3DGR |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50053797
(CHEMBL132839 | {3-Methyl-1-[1-(2-pyridin-2-yl-ethy...)Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCc1ccccn1 Show InChI InChI=1S/C26H34N4O5/c1-4-21(23(31)25(33)28-15-13-20-12-8-9-14-27-20)29-24(32)22(16-18(2)3)30-26(34)35-17-19-10-6-5-7-11-19/h5-12,14,18,21-22H,4,13,15-17H2,1-3H3,(H,28,33)(H,29,32)(H,30,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
School of Chemistry and Biochemistry
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin B |
J Med Chem 39: 4089-98 (1996)
Article DOI: 10.1021/jm950541c
BindingDB Entry DOI: 10.7270/Q2TX3DGR |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50053859
(CHEMBL133106 | {1-[1-(5-Hydroxy-pentylaminooxalyl)...)Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCCCO Show InChI InChI=1S/C24H37N3O6/c1-4-19(21(29)23(31)25-13-9-6-10-14-28)26-22(30)20(15-17(2)3)27-24(32)33-16-18-11-7-5-8-12-18/h5,7-8,11-12,17,19-20,28H,4,6,9-10,13-16H2,1-3H3,(H,25,31)(H,26,30)(H,27,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
School of Chemistry and Biochemistry
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin B |
J Med Chem 39: 4089-98 (1996)
Article DOI: 10.1021/jm950541c
BindingDB Entry DOI: 10.7270/Q2TX3DGR |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50053832
(CHEMBL422260 | {1-[1-(Isoquinolin-1-ylmethyl)-amin...)Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCc1nccc2ccccc12 Show InChI InChI=1S/C29H34N4O5/c1-4-23(26(34)28(36)31-17-25-22-13-9-8-12-21(22)14-15-30-25)32-27(35)24(16-19(2)3)33-29(37)38-18-20-10-6-5-7-11-20/h5-15,19,23-24H,4,16-18H2,1-3H3,(H,31,36)(H,32,35)(H,33,37) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
School of Chemistry and Biochemistry
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin B |
J Med Chem 39: 4089-98 (1996)
Article DOI: 10.1021/jm950541c
BindingDB Entry DOI: 10.7270/Q2TX3DGR |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50053817
((1-{1-[2-(3-Methoxy-phenyl)-ethylaminooxalyl]-prop...)Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCc1cccc(OC)c1 Show InChI InChI=1S/C28H37N3O6/c1-5-23(25(32)27(34)29-15-14-20-12-9-13-22(17-20)36-4)30-26(33)24(16-19(2)3)31-28(35)37-18-21-10-7-6-8-11-21/h6-13,17,19,23-24H,5,14-16,18H2,1-4H3,(H,29,34)(H,30,33)(H,31,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 310 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
School of Chemistry and Biochemistry
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin B |
J Med Chem 39: 4089-98 (1996)
Article DOI: 10.1021/jm950541c
BindingDB Entry DOI: 10.7270/Q2TX3DGR |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50053793
((1-{1-Benzyl-2-oxo-2-[(quinolin-2-ylmethyl)-carbam...)Show SMILES CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCc1ccc2ccccc2n1 Show InChI InChI=1S/C34H36N4O5/c1-23(2)19-30(38-34(42)43-22-25-13-7-4-8-14-25)32(40)37-29(20-24-11-5-3-6-12-24)31(39)33(41)35-21-27-18-17-26-15-9-10-16-28(26)36-27/h3-18,23,29-30H,19-22H2,1-2H3,(H,35,41)(H,37,40)(H,38,42) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 340 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
School of Chemistry and Biochemistry
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin B |
J Med Chem 39: 4089-98 (1996)
Article DOI: 10.1021/jm950541c
BindingDB Entry DOI: 10.7270/Q2TX3DGR |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50053827
(3-[4-Methyl-2-(2-naphthalen-1-yl-acetylamino)-pent...)Show SMILES CCNC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)Cc1cccc2ccccc12 Show InChI InChI=1S/C25H33N3O4/c1-5-20(23(30)25(32)26-6-2)28-24(31)21(14-16(3)4)27-22(29)15-18-12-9-11-17-10-7-8-13-19(17)18/h7-13,16,20-21H,5-6,14-15H2,1-4H3,(H,26,32)(H,27,29)(H,28,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
School of Chemistry and Biochemistry
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin B |
J Med Chem 39: 4089-98 (1996)
Article DOI: 10.1021/jm950541c
BindingDB Entry DOI: 10.7270/Q2TX3DGR |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50053850
(CHEMBL130506 | {1-[1-(2-Hydroxy-2-phenyl-ethylamin...)Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(O)c1ccccc1 Show InChI InChI=1S/C27H35N3O6/c1-4-21(24(32)26(34)28-16-23(31)20-13-9-6-10-14-20)29-25(33)22(15-18(2)3)30-27(35)36-17-19-11-7-5-8-12-19/h5-14,18,21-23,31H,4,15-17H2,1-3H3,(H,28,34)(H,29,33)(H,30,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 370 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
School of Chemistry and Biochemistry
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin B |
J Med Chem 39: 4089-98 (1996)
Article DOI: 10.1021/jm950541c
BindingDB Entry DOI: 10.7270/Q2TX3DGR |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50053838
((1-{1-[2-(4-Methoxy-phenyl)-ethylaminooxalyl]-prop...)Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCc1ccc(OC)cc1 Show InChI InChI=1S/C28H37N3O6/c1-5-23(25(32)27(34)29-16-15-20-11-13-22(36-4)14-12-20)30-26(33)24(17-19(2)3)31-28(35)37-18-21-9-7-6-8-10-21/h6-14,19,23-24H,5,15-18H2,1-4H3,(H,29,34)(H,30,33)(H,31,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 440 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
School of Chemistry and Biochemistry
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin B |
J Med Chem 39: 4089-98 (1996)
Article DOI: 10.1021/jm950541c
BindingDB Entry DOI: 10.7270/Q2TX3DGR |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50053840
((1-{1-[2-(2-Methoxy-phenyl)-ethylaminooxalyl]-prop...)Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCc1ccccc1OC Show InChI InChI=1S/C28H37N3O6/c1-5-22(25(32)27(34)29-16-15-21-13-9-10-14-24(21)36-4)30-26(33)23(17-19(2)3)31-28(35)37-18-20-11-7-6-8-12-20/h6-14,19,22-23H,5,15-18H2,1-4H3,(H,29,34)(H,30,33)(H,31,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 630 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
School of Chemistry and Biochemistry
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin B |
J Med Chem 39: 4089-98 (1996)
Article DOI: 10.1021/jm950541c
BindingDB Entry DOI: 10.7270/Q2TX3DGR |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50053822
(CHEMBL132586 | Calpain XII | {3-Methyl-1-[1-(pyrid...)Show SMILES CCCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCc1ccccn1 Show InChI InChI=1S/C26H34N4O5/c1-4-10-21(23(31)25(33)28-16-20-13-8-9-14-27-20)29-24(32)22(15-18(2)3)30-26(34)35-17-19-11-6-5-7-12-19/h5-9,11-14,18,21-22H,4,10,15-17H2,1-3H3,(H,28,33)(H,29,32)(H,30,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 750 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
School of Chemistry and Biochemistry
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin B |
J Med Chem 39: 4089-98 (1996)
Article DOI: 10.1021/jm950541c
BindingDB Entry DOI: 10.7270/Q2TX3DGR |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50053843
((1-{1-Benzyl-2-oxo-2-[(pyridin-2-ylmethyl)-carbamo...)Show SMILES CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCc1ccccn1 Show InChI InChI=1S/C30H34N4O5/c1-21(2)17-26(34-30(38)39-20-23-13-7-4-8-14-23)28(36)33-25(18-22-11-5-3-6-12-22)27(35)29(37)32-19-24-15-9-10-16-31-24/h3-16,21,25-26H,17-20H2,1-2H3,(H,32,37)(H,33,36)(H,34,38) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
School of Chemistry and Biochemistry
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin B |
J Med Chem 39: 4089-98 (1996)
Article DOI: 10.1021/jm950541c
BindingDB Entry DOI: 10.7270/Q2TX3DGR |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50053856
(CHEMBL131781 | {1-[1-(5-Hydroxy-1,3,3-trimethyl-cy...)Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC1(C)CC(O)CC(C)(C)C1 Show InChI InChI=1S/C29H45N3O6/c1-7-22(24(34)26(36)30-18-29(6)15-21(33)14-28(4,5)17-29)31-25(35)23(13-19(2)3)32-27(37)38-16-20-11-9-8-10-12-20/h8-12,19,21-23,33H,7,13-18H2,1-6H3,(H,30,36)(H,31,35)(H,32,37) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 890 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
School of Chemistry and Biochemistry
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin B |
J Med Chem 39: 4089-98 (1996)
Article DOI: 10.1021/jm950541c
BindingDB Entry DOI: 10.7270/Q2TX3DGR |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50053828
(CHEMBL439798 | {3-Methyl-1-[1-(pyridin-3-ylmethyl)...)Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCc1cccnc1 Show InChI InChI=1S/C25H32N4O5/c1-4-20(22(30)24(32)27-15-19-11-8-12-26-14-19)28-23(31)21(13-17(2)3)29-25(33)34-16-18-9-6-5-7-10-18/h5-12,14,17,20-21H,4,13,15-16H2,1-3H3,(H,27,32)(H,28,31)(H,29,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
School of Chemistry and Biochemistry
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin B |
J Med Chem 39: 4089-98 (1996)
Article DOI: 10.1021/jm950541c
BindingDB Entry DOI: 10.7270/Q2TX3DGR |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50053863
((3-Methyl-1-{1-[2-(1-methyl-1H-pyrrol-2-yl)-ethyla...)Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCc1cccn1C Show InChI InChI=1S/C26H36N4O5/c1-5-21(23(31)25(33)27-14-13-20-12-9-15-30(20)4)28-24(32)22(16-18(2)3)29-26(34)35-17-19-10-7-6-8-11-19/h6-12,15,18,21-22H,5,13-14,16-17H2,1-4H3,(H,27,33)(H,28,32)(H,29,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
School of Chemistry and Biochemistry
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin B |
J Med Chem 39: 4089-98 (1996)
Article DOI: 10.1021/jm950541c
BindingDB Entry DOI: 10.7270/Q2TX3DGR |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50042395
(CHEMBL117336 | [3-Methyl-1-(1-phenethylaminooxalyl...)Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C27H35N3O5/c1-4-22(24(31)26(33)28-16-15-20-11-7-5-8-12-20)29-25(32)23(17-19(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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
School of Chemistry and Biochemistry
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin B |
J Med Chem 39: 4089-98 (1996)
Article DOI: 10.1021/jm950541c
BindingDB Entry DOI: 10.7270/Q2TX3DGR |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50053794
(CHEMBL335293 | {1-[1-(3,5-Dimethoxy-benzylaminooxa...)Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCc1cc(OC)cc(OC)c1 Show InChI InChI=1S/C28H37N3O7/c1-6-23(25(32)27(34)29-16-20-13-21(36-4)15-22(14-20)37-5)30-26(33)24(12-18(2)3)31-28(35)38-17-19-10-8-7-9-11-19/h7-11,13-15,18,23-24H,6,12,16-17H2,1-5H3,(H,29,34)(H,30,33)(H,31,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
School of Chemistry and Biochemistry
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin B |
J Med Chem 39: 4089-98 (1996)
Article DOI: 10.1021/jm950541c
BindingDB Entry DOI: 10.7270/Q2TX3DGR |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50053837
((1-{1-[2-(2-Hydroxy-ethoxy)-ethylaminooxalyl]-prop...)Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCOCCO Show InChI InChI=1S/C23H35N3O7/c1-4-18(20(28)22(30)24-10-12-32-13-11-27)25-21(29)19(14-16(2)3)26-23(31)33-15-17-8-6-5-7-9-17/h5-9,16,18-19,27H,4,10-15H2,1-3H3,(H,24,30)(H,25,29)(H,26,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
School of Chemistry and Biochemistry
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin B |
J Med Chem 39: 4089-98 (1996)
Article DOI: 10.1021/jm950541c
BindingDB Entry DOI: 10.7270/Q2TX3DGR |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50053816
(CHEMBL134508 | {3-Methyl-1-[1-(3-pyrrolidin-1-yl-p...)Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCN1CCCC1 Show InChI InChI=1S/C26H40N4O5/c1-4-21(23(31)25(33)27-13-10-16-30-14-8-9-15-30)28-24(32)22(17-19(2)3)29-26(34)35-18-20-11-6-5-7-12-20/h5-7,11-12,19,21-22H,4,8-10,13-18H2,1-3H3,(H,27,33)(H,28,32)(H,29,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
School of Chemistry and Biochemistry
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin B |
J Med Chem 39: 4089-98 (1996)
Article DOI: 10.1021/jm950541c
BindingDB Entry DOI: 10.7270/Q2TX3DGR |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50042427
(CHEMBL118025 | [1-(1-Benzylaminooxalyl-propylcarba...)Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCc1ccccc1 Show InChI InChI=1S/C26H33N3O5/c1-4-21(23(30)25(32)27-16-19-11-7-5-8-12-19)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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
School of Chemistry and Biochemistry
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin B |
J Med Chem 39: 4089-98 (1996)
Article DOI: 10.1021/jm950541c
BindingDB Entry DOI: 10.7270/Q2TX3DGR |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50053829
(CHEMBL134179 | {1-[1-Benzyl-2-(2-hydroxy-2-phenyl-...)Show SMILES CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCC(O)c1ccccc1 Show InChI InChI=1S/C32H37N3O6/c1-22(2)18-27(35-32(40)41-21-24-14-8-4-9-15-24)30(38)34-26(19-23-12-6-3-7-13-23)29(37)31(39)33-20-28(36)25-16-10-5-11-17-25/h3-17,22,26-28,36H,18-21H2,1-2H3,(H,33,39)(H,34,38)(H,35,40) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
School of Chemistry and Biochemistry
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin B |
J Med Chem 39: 4089-98 (1996)
Article DOI: 10.1021/jm950541c
BindingDB Entry DOI: 10.7270/Q2TX3DGR |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50053842
(2-Diphenylacetylamino-4-methyl-pentanoic acid {1-b...)Show SMILES CC(C)CC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCc1ccccn1 Show InChI InChI=1S/C36H38N4O4/c1-25(2)22-31(40-35(43)32(27-16-8-4-9-17-27)28-18-10-5-11-19-28)34(42)39-30(23-26-14-6-3-7-15-26)33(41)36(44)38-24-29-20-12-13-21-37-29/h3-21,25,30-32H,22-24H2,1-2H3,(H,38,44)(H,39,42)(H,40,43) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
School of Chemistry and Biochemistry
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin B |
J Med Chem 39: 4089-98 (1996)
Article DOI: 10.1021/jm950541c
BindingDB Entry DOI: 10.7270/Q2TX3DGR |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50053795
(3-(2-Diphenylacetylamino-4-methyl-pentanoylamino)-...)Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)C(c1ccccc1)c1ccccc1)C(=O)C(=O)NCCCN1CCOCC1 Show InChI InChI=1S/C32H44N4O5/c1-4-26(29(37)32(40)33-16-11-17-36-18-20-41-21-19-36)34-30(38)27(22-23(2)3)35-31(39)28(24-12-7-5-8-13-24)25-14-9-6-10-15-25/h5-10,12-15,23,26-28H,4,11,16-22H2,1-3H3,(H,33,40)(H,34,38)(H,35,39) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
School of Chemistry and Biochemistry
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin B |
J Med Chem 39: 4089-98 (1996)
Article DOI: 10.1021/jm950541c
BindingDB Entry DOI: 10.7270/Q2TX3DGR |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50042386
(CHEMBL325147 | [1-(1-Ethylaminooxalyl-propylcarbam...)Show SMILES CCNC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C21H31N3O5/c1-5-16(18(25)20(27)22-6-2)23-19(26)17(12-14(3)4)24-21(28)29-13-15-10-8-7-9-11-15/h7-11,14,16-17H,5-6,12-13H2,1-4H3,(H,22,27)(H,23,26)(H,24,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
School of Chemistry and Biochemistry
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin B |
J Med Chem 39: 4089-98 (1996)
Article DOI: 10.1021/jm950541c
BindingDB Entry DOI: 10.7270/Q2TX3DGR |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50053796
(CHEMBL130107 | {3-Methyl-1-[1-(2-morpholin-4-yl-et...)Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCN1CCOCC1 Show InChI InChI=1S/C25H38N4O6/c1-4-20(22(30)24(32)26-10-11-29-12-14-34-15-13-29)27-23(31)21(16-18(2)3)28-25(33)35-17-19-8-6-5-7-9-19/h5-9,18,20-21H,4,10-17H2,1-3H3,(H,26,32)(H,27,31)(H,28,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
School of Chemistry and Biochemistry
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin B |
J Med Chem 39: 4089-98 (1996)
Article DOI: 10.1021/jm950541c
BindingDB Entry DOI: 10.7270/Q2TX3DGR |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50053855
(3-(2-Diphenylacetylamino-4-methyl-pentanoylamino)-...)Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)C(c1ccccc1)c1ccccc1)C(=O)C(=O)NCc1ccccn1 Show InChI InChI=1S/C31H36N4O4/c1-4-25(28(36)31(39)33-20-24-17-11-12-18-32-24)34-29(37)26(19-21(2)3)35-30(38)27(22-13-7-5-8-14-22)23-15-9-6-10-16-23/h5-18,21,25-27H,4,19-20H2,1-3H3,(H,33,39)(H,34,37)(H,35,38) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
School of Chemistry and Biochemistry
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin B |
J Med Chem 39: 4089-98 (1996)
Article DOI: 10.1021/jm950541c
BindingDB Entry DOI: 10.7270/Q2TX3DGR |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50053809
(CHEMBL130114 | {3-Methyl-1-[1-(pyridin-2-ylmethyl)...)Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCc1ccccn1 Show InChI InChI=1S/C25H32N4O5/c1-4-20(22(30)24(32)27-15-19-12-8-9-13-26-19)28-23(31)21(14-17(2)3)29-25(33)34-16-18-10-6-5-7-11-18/h5-13,17,20-21H,4,14-16H2,1-3H3,(H,27,32)(H,28,31)(H,29,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
School of Chemistry and Biochemistry
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin B |
J Med Chem 39: 4089-98 (1996)
Article DOI: 10.1021/jm950541c
BindingDB Entry DOI: 10.7270/Q2TX3DGR |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50042419
(CHEMBL116477 | [1-(1-Benzyl-2-oxo-2-propylcarbamoy...)Show SMILES CCCNC(=O)C(=O)C(Cc1ccccc1)NC(=O)C(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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
School of Chemistry and Biochemistry
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin B |
J Med Chem 39: 4089-98 (1996)
Article DOI: 10.1021/jm950541c
BindingDB Entry DOI: 10.7270/Q2TX3DGR |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50053846
(2-Diphenylacetylamino-4-methyl-pentanoic acid [1-b...)Show SMILES CC(C)CC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCCN1CCOCC1 Show InChI InChI=1S/C37H46N4O5/c1-27(2)25-32(40-36(44)33(29-15-8-4-9-16-29)30-17-10-5-11-18-30)35(43)39-31(26-28-13-6-3-7-14-28)34(42)37(45)38-19-12-20-41-21-23-46-24-22-41/h3-11,13-18,27,31-33H,12,19-26H2,1-2H3,(H,38,45)(H,39,43)(H,40,44) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
School of Chemistry and Biochemistry
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin B |
J Med Chem 39: 4089-98 (1996)
Article DOI: 10.1021/jm950541c
BindingDB Entry DOI: 10.7270/Q2TX3DGR |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50053858
(CHEMBL336649 | {3-Methyl-1-[1-(3-morpholin-4-yl-pr...)Show SMILES CCCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCN1CCOCC1 Show InChI InChI=1S/C27H42N4O6/c1-4-9-22(24(32)26(34)28-12-8-13-31-14-16-36-17-15-31)29-25(33)23(18-20(2)3)30-27(35)37-19-21-10-6-5-7-11-21/h5-7,10-11,20,22-23H,4,8-9,12-19H2,1-3H3,(H,28,34)(H,29,33)(H,30,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
School of Chemistry and Biochemistry
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin B |
J Med Chem 39: 4089-98 (1996)
Article DOI: 10.1021/jm950541c
BindingDB Entry DOI: 10.7270/Q2TX3DGR |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50053804
(CHEMBL131319 | {3-Methyl-1-[1-(tetrahydro-furan-2-...)Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC1CCCO1 Show InChI InChI=1S/C24H35N3O6/c1-4-19(21(28)23(30)25-14-18-11-8-12-32-18)26-22(29)20(13-16(2)3)27-24(31)33-15-17-9-6-5-7-10-17/h5-7,9-10,16,18-20H,4,8,11-15H2,1-3H3,(H,25,30)(H,26,29)(H,27,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
School of Chemistry and Biochemistry
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin B |
J Med Chem 39: 4089-98 (1996)
Article DOI: 10.1021/jm950541c
BindingDB Entry DOI: 10.7270/Q2TX3DGR |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50053803
(CHEMBL134121 | {1-[1-(2-Hydroxy-ethylaminooxalyl)-...)Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCO Show InChI InChI=1S/C21H31N3O6/c1-4-16(18(26)20(28)22-10-11-25)23-19(27)17(12-14(2)3)24-21(29)30-13-15-8-6-5-7-9-15/h5-9,14,16-17,25H,4,10-13H2,1-3H3,(H,22,28)(H,23,27)(H,24,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
School of Chemistry and Biochemistry
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin B |
J Med Chem 39: 4089-98 (1996)
Article DOI: 10.1021/jm950541c
BindingDB Entry DOI: 10.7270/Q2TX3DGR |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50053864
(CHEMBL424074 | {1-[1-(Furan-2-ylmethyl)-aminooxaly...)Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCc1ccco1 Show InChI InChI=1S/C24H31N3O6/c1-4-19(21(28)23(30)25-14-18-11-8-12-32-18)26-22(29)20(13-16(2)3)27-24(31)33-15-17-9-6-5-7-10-17/h5-12,16,19-20H,4,13-15H2,1-3H3,(H,25,30)(H,26,29)(H,27,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
School of Chemistry and Biochemistry
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin B |
J Med Chem 39: 4089-98 (1996)
Article DOI: 10.1021/jm950541c
BindingDB Entry DOI: 10.7270/Q2TX3DGR |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50042412
(CHEMBL420872 | [1-(1-Benzyl-2-ethylcarbamoyl-2-oxo...)Show SMILES CCNC(=O)C(=O)C(Cc1ccccc1)NC(=O)C(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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
School of Chemistry and Biochemistry
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin B |
J Med Chem 39: 4089-98 (1996)
Article DOI: 10.1021/jm950541c
BindingDB Entry DOI: 10.7270/Q2TX3DGR |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50053815
(CHEMBL134142 | {3-Methyl-1-[1-(pyridin-4-ylmethyl)...)Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCc1ccncc1 Show InChI InChI=1S/C25H32N4O5/c1-4-20(22(30)24(32)27-15-18-10-12-26-13-11-18)28-23(31)21(14-17(2)3)29-25(33)34-16-19-8-6-5-7-9-19/h5-13,17,20-21H,4,14-16H2,1-3H3,(H,27,32)(H,28,31)(H,29,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
School of Chemistry and Biochemistry
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin B |
J Med Chem 39: 4089-98 (1996)
Article DOI: 10.1021/jm950541c
BindingDB Entry DOI: 10.7270/Q2TX3DGR |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50053849
(CHEMBL134002 | {3-Methyl-1-[1-(3-morpholin-4-yl-pr...)Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCN1CCOCC1 Show InChI InChI=1S/C26H40N4O6/c1-4-21(23(31)25(33)27-11-8-12-30-13-15-35-16-14-30)28-24(32)22(17-19(2)3)29-26(34)36-18-20-9-6-5-7-10-20/h5-7,9-10,19,21-22H,4,8,11-18H2,1-3H3,(H,27,33)(H,28,32)(H,29,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
School of Chemistry and Biochemistry
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin B |
J Med Chem 39: 4089-98 (1996)
Article DOI: 10.1021/jm950541c
BindingDB Entry DOI: 10.7270/Q2TX3DGR |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50053821
(CHEMBL133634 | {1-[1-(3-Imidazol-1-yl-propylaminoo...)Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCn1ccnc1 Show InChI InChI=1S/C25H35N5O5/c1-4-20(22(31)24(33)27-11-8-13-30-14-12-26-17-30)28-23(32)21(15-18(2)3)29-25(34)35-16-19-9-6-5-7-10-19/h5-7,9-10,12,14,17-18,20-21H,4,8,11,13,15-16H2,1-3H3,(H,27,33)(H,28,32)(H,29,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 9.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
School of Chemistry and Biochemistry
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin B |
J Med Chem 39: 4089-98 (1996)
Article DOI: 10.1021/jm950541c
BindingDB Entry DOI: 10.7270/Q2TX3DGR |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50053868
(CHEMBL335291 | {1-[1-Benzyl-2-(3-morpholin-4-yl-pr...)Show SMILES CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCCN1CCOCC1 Show InChI InChI=1S/C31H42N4O6/c1-23(2)20-27(34-31(39)41-22-25-12-7-4-8-13-25)29(37)33-26(21-24-10-5-3-6-11-24)28(36)30(38)32-14-9-15-35-16-18-40-19-17-35/h3-8,10-13,23,26-27H,9,14-22H2,1-2H3,(H,32,38)(H,33,37)(H,34,39) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
School of Chemistry and Biochemistry
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin B |
J Med Chem 39: 4089-98 (1996)
Article DOI: 10.1021/jm950541c
BindingDB Entry DOI: 10.7270/Q2TX3DGR |
More data for this
Ligand-Target Pair | |
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