Found 1115 hits with Last Name = 'mckerrow' and Initial = 'jh' 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 |
|---|
Cysteine protease
(Trypanosoma brucei rhodesiense) | BDBM50568077
(CHEMBL4865195)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC1=C(C#N)C(=O)c2ccccc2C1=O)C(O)=O |r,c:18| | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to Trypanosoma brucei rhodesain |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116213
BindingDB Entry DOI: 10.7270/Q2183B90 |
More data for this
Ligand-Target Pair | |
Procathepsin L
(Homo sapiens (Human)) | BDBM50602544
(CHEMBL4594757)Show SMILES COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)\C=C\[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C1CCN(C)CC1 |r,t:2| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01494
BindingDB Entry DOI: 10.7270/Q2FR01PM |
More data for this
Ligand-Target Pair | |
Procathepsin L
(Homo sapiens (Human)) | BDBM50602543
(CHEMBL4598338)Show SMILES COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)\C=C\[C@H](C)NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](C(C)C)N(C)C |r,t:2| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01494
BindingDB Entry DOI: 10.7270/Q2FR01PM |
More data for this
Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50514675
(CHEMBL4472987)Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)\C=C\S(=O)(=O)c1ccccc1)OCc1ccccc1 |r| Show InChI InChI=1S/C33H32N2O5S/c36-32(31(24-27-15-7-2-8-16-27)35-33(37)40-25-28-17-9-3-10-18-28)34-29(23-26-13-5-1-6-14-26)21-22-41(38,39)30-19-11-4-12-20-30/h1-22,29,31H,23-25H2,(H,34,36)(H,35,37)/b22-21+/t29-,31+/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Texas A&M University
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma cruzi cruzain assessed as rate constant for enzyme-inhibitor-substrate complex using Cbz-Phe-Arg-AMC as substrate measured ... |
J Med Chem 63: 3298-3316 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02078
BindingDB Entry DOI: 10.7270/Q2PV6PQD |
More data for this
Ligand-Target Pair | |
Procathepsin L
(Mus musculus) | BDBM50602544
(CHEMBL4594757)Show SMILES COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)\C=C\[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C1CCN(C)CC1 |r,t:2| | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01494
BindingDB Entry DOI: 10.7270/Q2FR01PM |
More data for this
Ligand-Target Pair | |
Procathepsin L
(Mus musculus) | BDBM50602545
(CHEMBL4596647)Show SMILES COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)\C=C\[C@H](CCc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C |r,t:2| | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01494
BindingDB Entry DOI: 10.7270/Q2FR01PM |
More data for this
Ligand-Target Pair | |
Procathepsin L
(Mus musculus) | BDBM50033762
(Gallinamide A)Show SMILES CC[C@H](C)[C@H](N(C)C)C(=O)O[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)\C=C\C(=O)N1[C@@H](C)C(OC)=CC1=O |r,c:38| Show InChI InChI=1S/C31H52N4O7/c1-12-20(6)28(34(9)10)31(40)42-25(16-19(4)5)30(39)33-23(15-18(2)3)29(38)32-21(7)13-14-26(36)35-22(8)24(41-11)17-27(35)37/h13-14,17-23,25,28H,12,15-16H2,1-11H3,(H,32,38)(H,33,39)/b14-13+/t20-,21-,22-,23-,25-,28-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 5.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01494
BindingDB Entry DOI: 10.7270/Q2FR01PM |
More data for this
Ligand-Target Pair | |
Procathepsin L
(Homo sapiens (Human)) | BDBM50033762
(Gallinamide A)Show SMILES CC[C@H](C)[C@H](N(C)C)C(=O)O[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)\C=C\C(=O)N1[C@@H](C)C(OC)=CC1=O |r,c:38| Show InChI InChI=1S/C31H52N4O7/c1-12-20(6)28(34(9)10)31(40)42-25(16-19(4)5)30(39)33-23(15-18(2)3)29(38)32-21(7)13-14-26(36)35-22(8)24(41-11)17-27(35)37/h13-14,17-23,25,28H,12,15-16H2,1-11H3,(H,32,38)(H,33,39)/b14-13+/t20-,21-,22-,23-,25-,28-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01494
BindingDB Entry DOI: 10.7270/Q2FR01PM |
More data for this
Ligand-Target Pair | |
Procathepsin L
(Homo sapiens (Human)) | BDBM50602545
(CHEMBL4596647)Show SMILES COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)\C=C\[C@H](CCc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C |r,t:2| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 11.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01494
BindingDB Entry DOI: 10.7270/Q2FR01PM |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM50597397
(CHEMBL5194755) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00636
BindingDB Entry DOI: 10.7270/Q29S1W2C |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM50597385
(CHEMBL5169323) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00636
BindingDB Entry DOI: 10.7270/Q29S1W2C |
More data for this
Ligand-Target Pair | |
Procathepsin L
(Mus musculus) | BDBM50602543
(CHEMBL4598338)Show SMILES COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)\C=C\[C@H](C)NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](C(C)C)N(C)C |r,t:2| | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 16.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01494
BindingDB Entry DOI: 10.7270/Q2FR01PM |
More data for this
Ligand-Target Pair | |
Procathepsin L
(Homo sapiens (Human)) | BDBM50602542
(CHEMBL4594870)Show SMILES COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)\C=C\[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1CCCCC1)NC(=O)C1CCN(C)CC1 |r,t:2| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01494
BindingDB Entry DOI: 10.7270/Q2FR01PM |
More data for this
Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50229128
(CHEMBL401401 | N-((S)-1-oxo-1-((S)-5-phenyl-1-(phe...)Show SMILES Cc1ccc(C[C@H](NC(=O)c2ccc3OCCOc3c2)C(=O)N[C@@H](CCc2ccccc2)\C=C\S(=O)(=O)c2ccccc2)cc1 Show InChI InChI=1S/C36H36N2O6S/c1-26-12-14-28(15-13-26)24-32(38-35(39)29-17-19-33-34(25-29)44-22-21-43-33)36(40)37-30(18-16-27-8-4-2-5-9-27)20-23-45(41,42)31-10-6-3-7-11-31/h2-15,17,19-20,23,25,30,32H,16,18,21-22,24H2,1H3,(H,37,40)(H,38,39)/b23-20+/t30-,32-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma cruzi cruzain |
Bioorg Med Chem Lett 18: 624-8 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.070
BindingDB Entry DOI: 10.7270/Q2DN44SC |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM50597394
(CHEMBL5178465)Show SMILES COc1ccc2cc(ccc2c1)[C@H](C)C(=O)Sc1ncccn1 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00636
BindingDB Entry DOI: 10.7270/Q29S1W2C |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM50597384
(CHEMBL5191017) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00636
BindingDB Entry DOI: 10.7270/Q29S1W2C |
More data for this
Ligand-Target Pair | |
Procathepsin L
(Mus musculus) | BDBM50602542
(CHEMBL4594870)Show SMILES COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)\C=C\[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1CCCCC1)NC(=O)C1CCN(C)CC1 |r,t:2| | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 29.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01494
BindingDB Entry DOI: 10.7270/Q2FR01PM |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM50597386
(CHEMBL5207081) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00636
BindingDB Entry DOI: 10.7270/Q29S1W2C |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM50597382
(CHEMBL5207392) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 34 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00636
BindingDB Entry DOI: 10.7270/Q29S1W2C |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM50597379
(CHEMBL5189863) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 36 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00636
BindingDB Entry DOI: 10.7270/Q29S1W2C |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM50597399
(CHEMBL5178568) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 42 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00636
BindingDB Entry DOI: 10.7270/Q29S1W2C |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM50597375
(CHEMBL5204452) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 43 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00636
BindingDB Entry DOI: 10.7270/Q29S1W2C |
More data for this
Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50229117
(CHEMBL399181 | N-((S)-1-oxo-1-((S)-5-phenyl-1-(phe...)Show SMILES Cc1ccc(C[C@H](NC(=O)c2ccc(cc2)C(F)(F)F)C(=O)N[C@@H](CCc2ccccc2)\C=C\S(=O)(=O)c2ccccc2)cc1 Show InChI InChI=1S/C35H33F3N2O4S/c1-25-12-14-27(15-13-25)24-32(40-33(41)28-17-19-29(20-18-28)35(36,37)38)34(42)39-30(21-16-26-8-4-2-5-9-26)22-23-45(43,44)31-10-6-3-7-11-31/h2-15,17-20,22-23,30,32H,16,21,24H2,1H3,(H,39,42)(H,40,41)/b23-22+/t30-,32-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 45 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma cruzi cruzain |
Bioorg Med Chem Lett 18: 624-8 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.070
BindingDB Entry DOI: 10.7270/Q2DN44SC |
More data for this
Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50229124
(3,5-difluoro-N-((S)-1-oxo-1-((S)-5-phenyl-1-(pheny...)Show SMILES Cc1cccc(C[C@H](NC(=O)c2cc(F)cc(F)c2)C(=O)N[C@@H](CCc2ccccc2)\C=C\S(=O)(=O)c2ccccc2)c1 Show InChI InChI=1S/C34H32F2N2O4S/c1-24-9-8-12-26(19-24)20-32(38-33(39)27-21-28(35)23-29(36)22-27)34(40)37-30(16-15-25-10-4-2-5-11-25)17-18-43(41,42)31-13-6-3-7-14-31/h2-14,17-19,21-23,30,32H,15-16,20H2,1H3,(H,37,40)(H,38,39)/b18-17+/t30-,32-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma cruzi cruzain |
Bioorg Med Chem Lett 18: 624-8 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.070
BindingDB Entry DOI: 10.7270/Q2DN44SC |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM50597400
(CHEMBL5197891) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 51 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00636
BindingDB Entry DOI: 10.7270/Q29S1W2C |
More data for this
Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50322737
(2-(2-chloro-5-(trifluoromethyl)phenylamino)-2-oxo-...)Show SMILES FC(F)(F)c1ccc(Cl)c(NC(=O)C(OC(=O)CNC(=O)c2ccccc2)c2ccccc2)c1 Show InChI InChI=1S/C24H18ClF3N2O4/c25-18-12-11-17(24(26,27)28)13-19(18)30-23(33)21(15-7-3-1-4-8-15)34-20(31)14-29-22(32)16-9-5-2-6-10-16/h1-13,21H,14H2,(H,29,32)(H,30,33) | PDB
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PubMed
| 70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California San Francisco
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma cruzi cruzain assessed as Z-Phe-Arg-aminomethylcoumarin cleavage by competetive binding assay |
J Med Chem 53: 4891-905 (2010)
Article DOI: 10.1021/jm100488w
BindingDB Entry DOI: 10.7270/Q2BG2P68 |
More data for this
Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50229118
(CHEMBL254903 | N-((S)-1-oxo-1-((S)-5-phenyl-1-(phe...)Show SMILES Cc1cccc(C[C@H](NC(=O)c2ccc3OCCOc3c2)C(=O)N[C@@H](CCc2ccccc2)\C=C\S(=O)(=O)c2ccccc2)c1 Show InChI InChI=1S/C36H36N2O6S/c1-26-9-8-12-28(23-26)24-32(38-35(39)29-16-18-33-34(25-29)44-21-20-43-33)36(40)37-30(17-15-27-10-4-2-5-11-27)19-22-45(41,42)31-13-6-3-7-14-31/h2-14,16,18-19,22-23,25,30,32H,15,17,20-21,24H2,1H3,(H,37,40)(H,38,39)/b22-19+/t30-,32-/m0/s1 | PDB
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PubMed
| 71 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma cruzi cruzain |
Bioorg Med Chem Lett 18: 624-8 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.070
BindingDB Entry DOI: 10.7270/Q2DN44SC |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM50597395
(CHEMBL5192654) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
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| Article
PubMed
| 73 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00636
BindingDB Entry DOI: 10.7270/Q29S1W2C |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM50597368
(CHEMBL5204130) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
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| PC cid
PC sid
UniChem
| Article
PubMed
| 74 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00636
BindingDB Entry DOI: 10.7270/Q29S1W2C |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM50597378
(CHEMBL5202104)Show SMILES Cc1nnc(SC(=O)c2cc3ccccc3[nH]2)n1C(=O)c1cc2ccccc2[nH]1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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| 77 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00636
BindingDB Entry DOI: 10.7270/Q29S1W2C |
More data for this
Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50229127
(CHEMBL399676 | N-((S)-1-oxo-3-phenyl-1-((S)-5-phen...)Show SMILES O=C(N[C@@H](CCc1ccccc1)\C=C\S(=O)(=O)c1ccccc1)[C@H](Cc1ccccc1)NC(=O)c1ccc2OCCOc2c1 Show InChI InChI=1S/C35H34N2O6S/c38-34(28-17-19-32-33(25-28)43-22-21-42-32)37-31(24-27-12-6-2-7-13-27)35(39)36-29(18-16-26-10-4-1-5-11-26)20-23-44(40,41)30-14-8-3-9-15-30/h1-15,17,19-20,23,25,29,31H,16,18,21-22,24H2,(H,36,39)(H,37,38)/b23-20+/t29-,31-/m0/s1 | PDB
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PubMed
| 80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma cruzi cruzain |
Bioorg Med Chem Lett 18: 624-8 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.070
BindingDB Entry DOI: 10.7270/Q2DN44SC |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM50597376
(CHEMBL5204064) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
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GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| 84 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00636
BindingDB Entry DOI: 10.7270/Q29S1W2C |
More data for this
Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50514676
(CHEMBL4519086)Show SMILES C[n+]1ccccc1\C=C\[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C34H35N3O3/c1-37-24-12-11-19-31(37)23-22-30(21-20-27-13-5-2-6-14-27)35-33(38)32(25-28-15-7-3-8-16-28)36-34(39)40-26-29-17-9-4-10-18-29/h2-19,22-24,30,32H,20-21,25-26H2,1H3,(H-,35,36,38,39)/p+1/b23-22+/t30-,32-/m0/s1 | PDB
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| Article
PubMed
| 88 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Texas A&M University
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma cruzi cruzain assessed as rate constant for enzyme-inhibitor-substrate complex using Cbz-Phe-Arg-AMC as substrate measured ... |
J Med Chem 63: 3298-3316 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02078
BindingDB Entry DOI: 10.7270/Q2PV6PQD |
More data for this
Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50229132
(CHEMBL254066 | N-((S)-1-oxo-1-((S)-5-phenyl-1-(phe...)Show SMILES Cc1cccc(C[C@H](NC(=O)c2ccc(cc2)C(F)(F)F)C(=O)N[C@@H](CCc2ccccc2)\C=C\S(=O)(=O)c2ccccc2)c1 Show InChI InChI=1S/C35H33F3N2O4S/c1-25-9-8-12-27(23-25)24-32(40-33(41)28-16-18-29(19-17-28)35(36,37)38)34(42)39-30(20-15-26-10-4-2-5-11-26)21-22-45(43,44)31-13-6-3-7-14-31/h2-14,16-19,21-23,30,32H,15,20,24H2,1H3,(H,39,42)(H,40,41)/b22-21+/t30-,32-/m0/s1 | PDB
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PubMed
| 92 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma cruzi cruzain |
Bioorg Med Chem Lett 18: 624-8 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.070
BindingDB Entry DOI: 10.7270/Q2DN44SC |
More data for this
Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50229123
(CHEMBL254687 | N-((S)-1-oxo-3-phenyl-1-((S)-5-phen...)Show SMILES FC(F)(F)c1ccc(cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)\C=C\S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C34H31F3N2O4S/c35-34(36,37)28-19-17-27(18-20-28)32(40)39-31(24-26-12-6-2-7-13-26)33(41)38-29(21-16-25-10-4-1-5-11-25)22-23-44(42,43)30-14-8-3-9-15-30/h1-15,17-20,22-23,29,31H,16,21,24H2,(H,38,41)(H,39,40)/b23-22+/t29-,31-/m0/s1 | PDB
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PubMed
| 97 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma cruzi cruzain |
Bioorg Med Chem Lett 18: 624-8 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.070
BindingDB Entry DOI: 10.7270/Q2DN44SC |
More data for this
Ligand-Target Pair | |
Cysteine protease
(Trypanosoma brucei rhodesiense) | BDBM50183768
((2S,3S)-1-((S)-2-((R)-2-(tert-butoxycarbonyl)-3-ph...)Show SMILES C[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N1[C@@H]([C@H]1C(O)=O)C(O)=O Show InChI InChI=1S/C21H27N3O8/c1-11(17(26)24-14(18(27)28)15(24)19(29)30)22-16(25)13(10-12-8-6-5-7-9-12)23-20(31)32-21(2,3)4/h5-9,11,13-15H,10H2,1-4H3,(H,22,25)(H,23,31)(H,27,28)(H,29,30)/t11-,13+,14-,15-/m0/s1 | PDB
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PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wuerzburg
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain |
Bioorg Med Chem Lett 16: 2753-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.026
BindingDB Entry DOI: 10.7270/Q2PK0FRX |
More data for this
Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50306596
(3-(4-((S)-4-methyl-2-(quinolin-6-ylmethylamino)pen...)Show SMILES CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)[C@](C)(CC(C)C)NCc1ccc2ncccc2c1 |r| Show InChI InChI=1S/C31H35F4N5O2/c1-5-6-9-25(26(41)18-42-30-28(34)22(32)14-23(33)29(30)35)40-17-27(38-39-40)31(4,15-19(2)3)37-16-20-10-11-24-21(13-20)8-7-12-36-24/h7-8,10-14,17,19,25,37H,5-6,9,15-16,18H2,1-4H3/t25?,31-/m0/s1 | PDB
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PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma cruzi cruzain |
J Med Chem 53: 1763-73 (2010)
Article DOI: 10.1021/jm901633v
BindingDB Entry DOI: 10.7270/Q21N8172 |
More data for this
Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50306600
(3-(4-((S)-1-cyclopentyl-1-(quinolin-6-ylmethylamin...)Show SMILES CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)[C@@](C)(NCc1ccc2ncccc2c1)C1CCCC1 |r| Show InChI InChI=1S/C32H35F4N5O2/c1-3-4-11-26(27(42)19-43-31-29(35)23(33)16-24(34)30(31)36)41-18-28(39-40-41)32(2,22-9-5-6-10-22)38-17-20-12-13-25-21(15-20)8-7-14-37-25/h7-8,12-16,18,22,26,38H,3-6,9-11,17,19H2,1-2H3/t26?,32-/m0/s1 | PDB
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| CHEMBL
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PC sid
UniChem
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PubMed
| 110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma cruzi cruzain |
J Med Chem 53: 1763-73 (2010)
Article DOI: 10.1021/jm901633v
BindingDB Entry DOI: 10.7270/Q21N8172 |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50033762
(Gallinamide A)Show SMILES CC[C@H](C)[C@H](N(C)C)C(=O)O[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)\C=C\C(=O)N1[C@@H](C)C(OC)=CC1=O |r,c:38| Show InChI InChI=1S/C31H52N4O7/c1-12-20(6)28(34(9)10)31(40)42-25(16-19(4)5)30(39)33-23(15-18(2)3)29(38)32-21(7)13-14-26(36)35-22(8)24(41-11)17-27(35)37/h13-14,17-23,25,28H,12,15-16H2,1-11H3,(H,32,38)(H,33,39)/b14-13+/t20-,21-,22-,23-,25-,28-/m0/s1 | PDB
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Reactome pathway
KEGG
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PubMed
| 117 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01494
BindingDB Entry DOI: 10.7270/Q2FR01PM |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM50597377
(CHEMBL5207613) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
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GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| 119 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00636
BindingDB Entry DOI: 10.7270/Q29S1W2C |
More data for this
Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50514684
(CHEMBL4434867)Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)\C=C\c1ccccn1)OCc1ccccc1 |r| Show InChI InChI=1S/C33H33N3O3/c37-32(35-30(20-19-26-12-4-1-5-13-26)22-21-29-18-10-11-23-34-29)31(24-27-14-6-2-7-15-27)36-33(38)39-25-28-16-8-3-9-17-28/h1-18,21-23,30-31H,19-20,24-25H2,(H,35,37)(H,36,38)/b22-21+/t30-,31-/m0/s1 | PDB
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| PC cid
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| Article
PubMed
| 123 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Texas A&M University
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma cruzi cruzain assessed as rate constant for enzyme-inhibitor-substrate complex using Cbz-Phe-Arg-AMC as substrate measured ... |
J Med Chem 63: 3298-3316 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02078
BindingDB Entry DOI: 10.7270/Q2PV6PQD |
More data for this
Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50306598
(3-(4-((S)-1-cyclobutyl-1-(quinolin-6-ylmethylamino...)Show SMILES CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)[C@@](C)(NCc1ccc2ncccc2c1)C1CCC1 |r| Show InChI InChI=1S/C31H33F4N5O2/c1-3-4-10-25(26(41)18-42-30-28(34)22(32)15-23(33)29(30)35)40-17-27(38-39-40)31(2,21-8-5-9-21)37-16-19-11-12-24-20(14-19)7-6-13-36-24/h6-7,11-15,17,21,25,37H,3-5,8-10,16,18H2,1-2H3/t25?,31-/m0/s1 | PDB
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PubMed
| 130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma cruzi cruzain |
J Med Chem 53: 1763-73 (2010)
Article DOI: 10.1021/jm901633v
BindingDB Entry DOI: 10.7270/Q21N8172 |
More data for this
Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50229135
(CHEMBL253015 | N-((S)-1-oxo-1-((S)-5-phenyl-1-(phe...)Show SMILES FC(F)(F)c1cccc(C[C@H](NC(=O)c2ccccn2)C(=O)N[C@@H](CCc2ccccc2)\C=C\S(=O)(=O)c2ccccc2)c1 Show InChI InChI=1S/C33H30F3N3O4S/c34-33(35,36)26-13-9-12-25(22-26)23-30(39-31(40)29-16-7-8-20-37-29)32(41)38-27(18-17-24-10-3-1-4-11-24)19-21-44(42,43)28-14-5-2-6-15-28/h1-16,19-22,27,30H,17-18,23H2,(H,38,41)(H,39,40)/b21-19+/t27-,30-/m0/s1 | PDB
MMDB
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B.MOAD
DrugBank
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma cruzi cruzain |
Bioorg Med Chem Lett 18: 624-8 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.070
BindingDB Entry DOI: 10.7270/Q2DN44SC |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM50597398
(CHEMBL5181137) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 161 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00636
BindingDB Entry DOI: 10.7270/Q29S1W2C |
More data for this
Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50229122
(4-methyl-N-((S)-1-oxo-1-((S)-5-phenyl-1-(phenylsul...)Show SMILES CN1CCN(CC1)C(=O)N[C@@H](Cc1cccc(c1)C(F)(F)F)C(=O)N[C@@H](CCc1ccccc1)C=CS(=O)(=O)c1ccccc1 |w:35.38| Show InChI InChI=1S/C33H37F3N4O4S/c1-39-18-20-40(21-19-39)32(42)38-30(24-26-11-8-12-27(23-26)33(34,35)36)31(41)37-28(16-15-25-9-4-2-5-10-25)17-22-45(43,44)29-13-6-3-7-14-29/h2-14,17,22-23,28,30H,15-16,18-21,24H2,1H3,(H,37,41)(H,38,42)/t28-,30-/m0/s1 | PDB
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Similars
| Article
PubMed
| 170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma cruzi cruzain |
Bioorg Med Chem Lett 18: 624-8 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.070
BindingDB Entry DOI: 10.7270/Q2DN44SC |
More data for this
Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50303409
(4-amino-6-(diphenylamino)-1,3,5-triazine-2-carboni...)Show InChI InChI=1S/C16H12N6/c17-11-14-19-15(18)21-16(20-14)22(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,(H2,18,19,20,21) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
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UniChem
Similars
| Article
PubMed
| 180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Human Genome Research Institute
Curated by ChEMBL
| Assay Description
Competitive inhibition of recombinant Trypanosoma cruzi cruzain by Lineweaver-Burk plot analysis |
J Med Chem 53: 52-60 (2010)
Article DOI: 10.1021/jm901069a
BindingDB Entry DOI: 10.7270/Q2TX3FG5 |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM50597372
(CHEMBL5188939) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
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UniChem
| Article
PubMed
| 186 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00636
BindingDB Entry DOI: 10.7270/Q29S1W2C |
More data for this
Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50306597
(3-(4-((S)-4-methyl-2-(quinolin-6-ylmethylamino)pen...)Show SMILES CCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)[C@](C)(CC(C)C)NCc1ccc2ncccc2c1 |r| Show InChI InChI=1S/C29H31F4N5O2/c1-5-23(24(39)16-40-28-26(32)20(30)12-21(31)27(28)33)38-15-25(36-37-38)29(4,13-17(2)3)35-14-18-8-9-22-19(11-18)7-6-10-34-22/h6-12,15,17,23,35H,5,13-14,16H2,1-4H3/t23?,29-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 190 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma cruzi cruzain |
J Med Chem 53: 1763-73 (2010)
Article DOI: 10.1021/jm901633v
BindingDB Entry DOI: 10.7270/Q21N8172 |
More data for this
Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50229129
(4-Methyl-piperazine-1-carboxylic acid [(S)-1-((E)-...)Show SMILES CN1CCN(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C=CS(=O)(=O)c1ccccc1 |r,w:31.34| Show InChI InChI=1S/C32H38N4O4S/c1-35-20-22-36(23-21-35)32(38)34-30(25-27-13-7-3-8-14-27)31(37)33-28(18-17-26-11-5-2-6-12-26)19-24-41(39,40)29-15-9-4-10-16-29/h2-16,19,24,28,30H,17-18,20-23,25H2,1H3,(H,33,37)(H,34,38)/t28-,30-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
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| Purchase
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma cruzi cruzain |
Bioorg Med Chem Lett 18: 624-8 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.070
BindingDB Entry DOI: 10.7270/Q2DN44SC |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50602545
(CHEMBL4596647)Show SMILES COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)\C=C\[C@H](CCc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C |r,t:2| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 238 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01494
BindingDB Entry DOI: 10.7270/Q2FR01PM |
More data for this
Ligand-Target Pair | |
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