Compile Data Set for Download or QSAR

Found 2539 hits with Last Name = 'zhai' and Initial = 'x'   

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
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
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 MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	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)	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 MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	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)	BDBM50514672 (CHEMBL4556756) Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)\C=C\c1ncccn1)OCc1ccccc1 |r| Show InChI InChI=1S/C31H30N4O3/c36-30(34-27(21-24-11-4-1-5-12-24)17-18-29-32-19-10-20-33-29)28(22-25-13-6-2-7-14-25)35-31(37)38-23-26-15-8-3-9-16-26/h1-20,27-28H,21-23H2,(H,34,36)(H,35,37)/b18-17+/t27-,28+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	280	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)	BDBM50514683 (CHEMBL4453372) Show SMILES [I-].C[n+]1ccccc1\C=C\[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C33H33N3O3.HI/c1-36-22-12-11-19-30(36)21-20-29(23-26-13-5-2-6-14-26)34-32(37)31(24-27-15-7-3-8-16-27)35-33(38)39-25-28-17-9-4-10-18-28;/h2-22,29,31H,23-25H2,1H3,(H-,34,35,37,38);1H/b21-20+;/t29-,31+;/m1./s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	280	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)	BDBM50514673 (CHEMBL4544942) Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)\C=C\c1ccccn1)OCc1ccccc1 |r| Show InChI InChI=1S/C32H31N3O3/c36-31(34-29(22-25-12-4-1-5-13-25)20-19-28-18-10-11-21-33-28)30(23-26-14-6-2-7-15-26)35-32(37)38-24-27-16-8-3-9-17-27/h1-21,29-30H,22-24H2,(H,34,36)(H,35,37)/b20-19+/t29-,30+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	280	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
Cathepsin S (Homo sapiens (Human))	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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	320	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 recombinant human Cathepsin S expressed in Escherichia coli assessed as rate constant for enzyme-inhibitor-substrate complex using Cbz-...				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)	BDBM50514688 (CHEMBL4590860) Show SMILES [O-][N+](=O)c1ccc(\C=C\[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)cc1 |r| Show InChI InChI=1S/C33H31N3O5/c37-32(31(23-27-12-6-2-7-13-27)35-33(38)41-24-28-14-8-3-9-15-28)34-29(22-26-10-4-1-5-11-26)19-16-25-17-20-30(21-18-25)36(39)40/h1-21,29,31H,22-24H2,(H,34,37)(H,35,38)/b19-16+/t29-,31+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	370	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
Cathepsin S (Homo sapiens (Human))	BDBM50514672 (CHEMBL4556756) Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)\C=C\c1ncccn1)OCc1ccccc1 |r| Show InChI InChI=1S/C31H30N4O3/c36-30(34-27(21-24-11-4-1-5-12-24)17-18-29-32-19-10-20-33-29)28(22-25-13-6-2-7-14-25)35-31(37)38-23-26-15-8-3-9-16-26/h1-20,27-28H,21-23H2,(H,34,36)(H,35,37)/b18-17+/t27-,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	370	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 recombinant human Cathepsin S expressed in Escherichia coli assessed as rate constant for enzyme-inhibitor-substrate complex using Cbz-...				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)	BDBM50514689 (CHEMBL4476119) Show SMILES FC(F)(F)c1ccnc(\C=C\[C@H](CCc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)c1 |r| Show InChI InChI=1S/C34H32F3N3O3/c35-34(36,37)28-20-21-38-30(23-28)19-18-29(17-16-25-10-4-1-5-11-25)39-32(41)31(22-26-12-6-2-7-13-26)40-33(42)43-24-27-14-8-3-9-15-27/h1-15,18-21,23,29,31H,16-17,22,24H2,(H,39,41)(H,40,42)/b19-18+/t29-,31-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	570	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 (Homo sapiens (Human))	BDBM50514683 (CHEMBL4453372) Show SMILES [I-].C[n+]1ccccc1\C=C\[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C33H33N3O3.HI/c1-36-22-12-11-19-30(36)21-20-29(23-26-13-5-2-6-14-26)34-32(37)31(24-27-15-7-3-8-16-27)35-33(38)39-25-28-17-9-4-10-18-28;/h2-22,29,31H,23-25H2,1H3,(H-,34,35,37,38);1H/b21-20+;/t29-,31+;/m1./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	700	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 human Cathepsin L assessed as rate constant for enzyme-inhibitor-substrate complex using Cbz-Phe-Arg-AMC as substrate measured up to 40...				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)	BDBM50514687 (CHEMBL4589368) Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)\C=C\c1ncco1)OCc1ccccc1 |r| Show InChI InChI=1S/C30H29N3O4/c34-29(32-26(16-17-28-31-18-19-36-28)20-23-10-4-1-5-11-23)27(21-24-12-6-2-7-13-24)33-30(35)37-22-25-14-8-3-9-15-25/h1-19,26-27H,20-22H2,(H,32,34)(H,33,35)/b17-16+/t26-,27+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	710	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)	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 MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	760	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 complex using Cbz-Phe-Arg-AMC as substrate and measured up to ...				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)	BDBM50514680 (CHEMBL4468998) Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)\C=C\c1ccccc1)OCc1ccccc1 |r| Show InChI InChI=1S/C33H32N2O3/c36-32(34-30(23-27-15-7-2-8-16-27)22-21-26-13-5-1-6-14-26)31(24-28-17-9-3-10-18-28)35-33(37)38-25-29-19-11-4-12-20-29/h1-22,30-31H,23-25H2,(H,34,36)(H,35,37)/b22-21+/t30-,31+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	870	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)	BDBM50514686 (CHEMBL4519935) Show SMILES NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)\C=C\c1ccccn1 |r| Show InChI InChI=1S/C29H34N4O3/c30-19-9-7-16-26(18-17-25-15-8-10-20-31-25)32-28(34)27(21-23-11-3-1-4-12-23)33-29(35)36-22-24-13-5-2-6-14-24/h1-6,8,10-15,17-18,20,26-27H,7,9,16,19,21-22,30H2,(H,32,34)(H,33,35)/b18-17+/t26-,27-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	870	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
Cathepsin S (Homo sapiens (Human))	BDBM50514683 (CHEMBL4453372) Show SMILES [I-].C[n+]1ccccc1\C=C\[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C33H33N3O3.HI/c1-36-22-12-11-19-30(36)21-20-29(23-26-13-5-2-6-14-26)34-32(37)31(24-27-15-7-3-8-16-27)35-33(38)39-25-28-17-9-4-10-18-28;/h2-22,29,31H,23-25H2,1H3,(H-,34,35,37,38);1H/b21-20+;/t29-,31+;/m1./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	870	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 recombinant human Cathepsin S expressed in Escherichia coli assessed as rate constant for enzyme-inhibitor-substrate complex using Cbz-...				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 (Homo sapiens (Human))	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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	880	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 human Cathepsin L assessed as rate constant for enzyme-inhibitor-substrate complex using Cbz-Phe-Arg-AMC as substrate measured up to 40...				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)	BDBM50514677 (CHEMBL4457989) Show SMILES [I-].C[n+]1ccsc1\C=C\[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C31H31N3O3S.HI/c1-34-19-20-38-29(34)18-17-27(21-24-11-5-2-6-12-24)32-30(35)28(22-25-13-7-3-8-14-25)33-31(36)37-23-26-15-9-4-10-16-26;/h2-20,27-28H,21-23H2,1H3,(H-,32,33,35,36);1H/b18-17+;/t27-,28+;/m1./s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	940	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)	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 MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.06E+3	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 complex using Cbz-Phe-Arg-AMC as substrate and measured up to ...				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 (Homo sapiens (Human))	BDBM50514672 (CHEMBL4556756) Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)\C=C\c1ncccn1)OCc1ccccc1 |r| Show InChI InChI=1S/C31H30N4O3/c36-30(34-27(21-24-11-4-1-5-12-24)17-18-29-32-19-10-20-33-29)28(22-25-13-6-2-7-14-25)35-31(37)38-23-26-15-8-3-9-16-26/h1-20,27-28H,21-23H2,(H,34,36)(H,35,37)/b18-17+/t27-,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.10E+3	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 human Cathepsin L assessed as rate constant for enzyme-inhibitor-substrate complex using Cbz-Phe-Arg-AMC as substrate measured up to 40...				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)	BDBM50514691 (CHEMBL4446486) Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)\C=C\c1ccncn1)OCc1ccccc1 |r| Show InChI InChI=1S/C31H30N4O3/c36-30(34-28(20-24-10-4-1-5-11-24)17-16-27-18-19-32-23-33-27)29(21-25-12-6-2-7-13-25)35-31(37)38-22-26-14-8-3-9-15-26/h1-19,23,28-29H,20-22H2,(H,34,36)(H,35,37)/b17-16+/t28-,29+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.14E+3	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
Cathepsin S (Homo sapiens (Human))	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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.41E+3	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 recombinant human Cathepsin S expressed in Escherichia coli assessed as rate constant for enzyme-inhibitor-substrate complex using Cbz-...				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)	BDBM50514694 (CHEMBL4526486) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)\C=C\c1ccccn1 |r| Show InChI InChI=1S/C30H35N3O3/c1-23(2)21-28(33-30(35)36-22-25-13-7-4-8-14-25)29(34)32-27(17-16-24-11-5-3-6-12-24)19-18-26-15-9-10-20-31-26/h3-15,18-20,23,27-28H,16-17,21-22H2,1-2H3,(H,32,34)(H,33,35)/b19-18+/t27-,28-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.42E+3	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)	BDBM50514692 (CHEMBL4549964) Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)\C=C\c1nccs1)OCc1ccccc1 |r| Show InChI InChI=1S/C30H29N3O3S/c34-29(32-26(16-17-28-31-18-19-37-28)20-23-10-4-1-5-11-23)27(21-24-12-6-2-7-13-24)33-30(35)36-22-25-14-8-3-9-15-25/h1-19,26-27H,20-22H2,(H,32,34)(H,33,35)/b17-16+/t26-,27+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.71E+3	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)	BDBM50514680 (CHEMBL4468998) Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)\C=C\c1ccccc1)OCc1ccccc1 |r| Show InChI InChI=1S/C33H32N2O3/c36-32(34-30(23-27-15-7-2-8-16-27)22-21-26-13-5-1-6-14-26)31(24-28-17-9-3-10-18-28)35-33(37)38-25-29-19-11-4-12-20-29/h1-22,30-31H,23-25H2,(H,34,36)(H,35,37)/b22-21+/t30-,31+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.80E+3	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 complex using Cbz-Phe-Arg-AMC as substrate and measured up to ...				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
Cathepsin S (Homo sapiens (Human))	BDBM50514673 (CHEMBL4544942) Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)\C=C\c1ccccn1)OCc1ccccc1 |r| Show InChI InChI=1S/C32H31N3O3/c36-31(34-29(22-25-12-4-1-5-13-25)20-19-28-18-10-11-21-33-28)30(23-26-14-6-2-7-15-26)35-32(37)38-24-27-16-8-3-9-17-27/h1-21,29-30H,22-24H2,(H,34,36)(H,35,37)/b20-19+/t29-,30+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.80E+3	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 recombinant human Cathepsin S expressed in Escherichia coli assessed as rate constant for enzyme-inhibitor-substrate complex using Cbz-...				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 (Homo sapiens (Human))	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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.90E+3	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 human Cathepsin L assessed as rate constant for enzyme-inhibitor-substrate complex using Cbz-Phe-Arg-AMC as substrate measured up to 40...				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)	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 MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.00E+3	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 using Cbz-Phe-Arg-AMC as substrate and measured up to 40 mins by fluorescence assay				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)	BDBM50514682 (CHEMBL4451437) Show SMILES CN1CCN(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)\C=C\c1ncccn1 |r| Show InChI InChI=1S/C30H36N6O2/c1-35-19-21-36(22-20-35)30(38)34-27(23-25-11-6-3-7-12-25)29(37)33-26(14-13-24-9-4-2-5-10-24)15-16-28-31-17-8-18-32-28/h2-12,15-18,26-27H,13-14,19-23H2,1H3,(H,33,37)(H,34,38)/b16-15+/t26-,27-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.20E+3	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)	BDBM50514679 (CHEMBL4468236) Show SMILES NC(=O)\C=C\[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C29H31N3O4/c30-27(33)19-18-25(17-16-22-10-4-1-5-11-22)31-28(34)26(20-23-12-6-2-7-13-23)32-29(35)36-21-24-14-8-3-9-15-24/h1-15,18-19,25-26H,16-17,20-21H2,(H2,30,33)(H,31,34)(H,32,35)/b19-18+/t25-,26-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.00E+3	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 complex using Cbz-Phe-Arg-AMC as substrate and measured up to ...				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)	BDBM50514695 (CHEMBL4462444) Show SMILES CN1CCN(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)\C=C\c1ccccn1 |r| Show InChI InChI=1S/C31H37N5O2/c1-35-20-22-36(23-21-35)31(38)34-29(24-26-12-6-3-7-13-26)30(37)33-28(16-15-25-10-4-2-5-11-25)18-17-27-14-8-9-19-32-27/h2-14,17-19,28-29H,15-16,20-24H2,1H3,(H,33,37)(H,34,38)/b18-17+/t28-,29-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.40E+3	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)	BDBM50514693 (CHEMBL4553115) Show SMILES CN1CCN(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)\C=C\C(N)=O |r| Show InChI InChI=1S/C27H35N5O3/c1-31-16-18-32(19-17-31)27(35)30-24(20-22-10-6-3-7-11-22)26(34)29-23(14-15-25(28)33)13-12-21-8-4-2-5-9-21/h2-11,14-15,23-24H,12-13,16-20H2,1H3,(H2,28,33)(H,29,34)(H,30,35)/b15-14+/t23-,24-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.40E+3	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 complex using Cbz-Phe-Arg-AMC as substrate and measured up to ...				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)	BDBM50514683 (CHEMBL4453372) Show SMILES [I-].C[n+]1ccccc1\C=C\[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C33H33N3O3.HI/c1-36-22-12-11-19-30(36)21-20-29(23-26-13-5-2-6-14-26)34-32(37)31(24-27-15-7-3-8-16-27)35-33(38)39-25-28-17-9-4-10-18-28;/h2-22,29,31H,23-25H2,1H3,(H-,34,35,37,38);1H/b21-20+;/t29-,31+;/m1./s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.80E+3	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 complex using Cbz-Phe-Arg-AMC as substrate and measured up to ...				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)	BDBM50514696 (CHEMBL4450394) Show SMILES [I-].C[n+]1ccc(\C=C\[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)cc1 |r| Show InChI InChI=1S/C33H33N3O3.HI/c1-36-21-19-26(20-22-36)17-18-30(23-27-11-5-2-6-12-27)34-32(37)31(24-28-13-7-3-8-14-28)35-33(38)39-25-29-15-9-4-10-16-29;/h2-22,30-31H,23-25H2,1H3,(H-,34,35,37,38);1H/b18-17+;/t30-,31+;/m1./s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.00E+3	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 (Homo sapiens (Human))	BDBM50514673 (CHEMBL4544942) Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)\C=C\c1ccccn1)OCc1ccccc1 |r| Show InChI InChI=1S/C32H31N3O3/c36-31(34-29(22-25-12-4-1-5-13-25)20-19-28-18-10-11-21-33-28)30(23-26-14-6-2-7-15-26)35-32(37)38-24-27-16-8-3-9-17-27/h1-21,29-30H,22-24H2,(H,34,36)(H,35,37)/b20-19+/t29-,30+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.30E+3	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 human Cathepsin L assessed as rate constant for enzyme-inhibitor-substrate complex using Cbz-Phe-Arg-AMC as substrate measured up to 40...				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)	BDBM50514697 (CHEMBL4586329) Show SMILES C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)\C=C\c1ccccn1 |r| Show InChI InChI=1S/C26H27N3O3/c1-20(15-16-23-14-8-9-17-27-23)28-25(30)24(18-21-10-4-2-5-11-21)29-26(31)32-19-22-12-6-3-7-13-22/h2-17,20,24H,18-19H2,1H3,(H,28,30)(H,29,31)/b16-15+/t20-,24-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.80E+3	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)	BDBM50514685 (CHEMBL4533125) Show SMILES COc1ccnc(\C=C\[C@H](CCc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)c1 |r| Show InChI InChI=1S/C34H35N3O4/c1-40-31-21-22-35-30(24-31)20-19-29(18-17-26-11-5-2-6-12-26)36-33(38)32(23-27-13-7-3-8-14-27)37-34(39)41-25-28-15-9-4-10-16-28/h2-16,19-22,24,29,32H,17-18,23,25H2,1H3,(H,36,38)(H,37,39)/b20-19+/t29-,32-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>5.00E+3	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 complex using Cbz-Phe-Arg-AMC as substrate and measured up to ...				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)	BDBM50514673 (CHEMBL4544942) Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)\C=C\c1ccccn1)OCc1ccccc1 |r| Show InChI InChI=1S/C32H31N3O3/c36-31(34-29(22-25-12-4-1-5-13-25)20-19-28-18-10-11-21-33-28)30(23-26-14-6-2-7-15-26)35-32(37)38-24-27-16-8-3-9-17-27/h1-21,29-30H,22-24H2,(H,34,36)(H,35,37)/b20-19+/t29-,30+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.50E+3	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 complex using Cbz-Phe-Arg-AMC as substrate and measured up to ...				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)	BDBM50514690 (CHEMBL4454970) Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)\C=C\c1ccncc1)OCc1ccccc1 |r| Show InChI InChI=1S/C32H31N3O3/c36-31(34-29(22-26-10-4-1-5-11-26)17-16-25-18-20-33-21-19-25)30(23-27-12-6-2-7-13-27)35-32(37)38-24-28-14-8-3-9-15-28/h1-21,29-30H,22-24H2,(H,34,36)(H,35,37)/b17-16+/t29-,30+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.50E+3	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
Cathepsin B (Homo sapiens (Human))	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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.50E+3	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 human Cathepsin B assessed as rate constant for enzyme-inhibitor-substrate complex using Cbz-Phe-Arg-AMC as substrate measured up to 40...				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)	BDBM50514694 (CHEMBL4526486) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)\C=C\c1ccccn1 |r| Show InChI InChI=1S/C30H35N3O3/c1-23(2)21-28(33-30(35)36-22-25-13-7-4-8-14-25)29(34)32-27(17-16-24-11-5-3-6-12-24)19-18-26-15-9-10-20-31-26/h3-15,18-20,23,27-28H,16-17,21-22H2,1-2H3,(H,32,34)(H,33,35)/b19-18+/t27-,28-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.80E+3	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 complex using Cbz-Phe-Arg-AMC as substrate and measured up to ...				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)	BDBM50514682 (CHEMBL4451437) Show SMILES CN1CCN(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)\C=C\c1ncccn1 |r| Show InChI InChI=1S/C30H36N6O2/c1-35-19-21-36(22-20-35)30(38)34-27(23-25-11-6-3-7-12-25)29(37)33-26(14-13-24-9-4-2-5-10-24)15-16-28-31-17-8-18-32-28/h2-12,15-18,26-27H,13-14,19-23H2,1H3,(H,33,37)(H,34,38)/b16-15+/t26-,27-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	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 complex using Cbz-Phe-Arg-AMC as substrate and measured up to ...				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)	BDBM50514687 (CHEMBL4589368) Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)\C=C\c1ncco1)OCc1ccccc1 |r| Show InChI InChI=1S/C30H29N3O4/c34-29(32-26(16-17-28-31-18-19-36-28)20-23-10-4-1-5-11-23)27(21-24-12-6-2-7-13-24)33-30(35)37-22-25-14-8-3-9-15-25/h1-19,26-27H,20-22H2,(H,32,34)(H,33,35)/b17-16+/t26-,27+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.00E+4	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 complex using Cbz-Phe-Arg-AMC as substrate and measured up to ...				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)	BDBM50514691 (CHEMBL4446486) Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)\C=C\c1ccncn1)OCc1ccccc1 |r| Show InChI InChI=1S/C31H30N4O3/c36-30(34-28(20-24-10-4-1-5-11-24)17-16-27-18-19-32-23-33-27)29(21-25-12-6-2-7-13-25)35-31(37)38-22-26-14-8-3-9-15-26/h1-19,23,28-29H,20-22H2,(H,34,36)(H,35,37)/b17-16+/t28-,29+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.08E+4	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 complex using Cbz-Phe-Arg-AMC as substrate and measured up to ...				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)	BDBM50514686 (CHEMBL4519935) Show SMILES NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)\C=C\c1ccccn1 |r| Show InChI InChI=1S/C29H34N4O3/c30-19-9-7-16-26(18-17-25-15-8-10-20-31-25)32-28(34)27(21-23-11-3-1-4-12-23)33-29(35)36-22-24-13-5-2-6-14-24/h1-6,8,10-15,17-18,20,26-27H,7,9,16,19,21-22,30H2,(H,32,34)(H,33,35)/b18-17+/t26-,27-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.73E+4	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 complex using Cbz-Phe-Arg-AMC as substrate and measured up to ...				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
Cathepsin B (Homo sapiens (Human))	BDBM50514683 (CHEMBL4453372) Show SMILES [I-].C[n+]1ccccc1\C=C\[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C33H33N3O3.HI/c1-36-22-12-11-19-30(36)21-20-29(23-26-13-5-2-6-14-26)34-32(37)31(24-27-15-7-3-8-16-27)35-33(38)39-25-28-17-9-4-10-18-28;/h2-22,29,31H,23-25H2,1H3,(H-,34,35,37,38);1H/b21-20+;/t29-,31+;/m1./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.90E+4	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 human Cathepsin B assessed as rate constant for enzyme-inhibitor-substrate complex using Cbz-Phe-Arg-AMC as substrate measured up to 40...				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)	BDBM50514674 (CHEMBL4553211) Show SMILES C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)\C=C\c1ncccn1 |r| Show InChI InChI=1S/C25H26N4O3/c1-19(13-14-23-26-15-8-16-27-23)28-24(30)22(17-20-9-4-2-5-10-20)29-25(31)32-18-21-11-6-3-7-12-21/h2-16,19,22H,17-18H2,1H3,(H,28,30)(H,29,31)/b14-13+/t19-,22-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.50E+4	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
Cathepsin B (Homo sapiens (Human))	BDBM50514673 (CHEMBL4544942) Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)\C=C\c1ccccn1)OCc1ccccc1 |r| Show InChI InChI=1S/C32H31N3O3/c36-31(34-29(22-25-12-4-1-5-13-25)20-19-28-18-10-11-21-33-28)30(23-26-14-6-2-7-15-26)35-32(37)38-24-27-16-8-3-9-17-27/h1-21,29-30H,22-24H2,(H,34,36)(H,35,37)/b20-19+/t29-,30+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.80E+4	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 human Cathepsin B assessed as rate constant for enzyme-inhibitor-substrate complex using Cbz-Phe-Arg-AMC as substrate measured up to 40...				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)	BDBM50514672 (CHEMBL4556756) Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)\C=C\c1ncccn1)OCc1ccccc1 |r| Show InChI InChI=1S/C31H30N4O3/c36-30(34-27(21-24-11-4-1-5-12-24)17-18-29-32-19-10-20-33-29)28(22-25-13-6-2-7-14-25)35-31(37)38-23-26-15-8-3-9-16-26/h1-20,27-28H,21-23H2,(H,34,36)(H,35,37)/b18-17+/t27-,28+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.80E+4	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 complex using Cbz-Phe-Arg-AMC as substrate and measured up to ...				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
Cathepsin B (Homo sapiens (Human))	BDBM50514672 (CHEMBL4556756) Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)\C=C\c1ncccn1)OCc1ccccc1 |r| Show InChI InChI=1S/C31H30N4O3/c36-30(34-27(21-24-11-4-1-5-12-24)17-18-29-32-19-10-20-33-29)28(22-25-13-6-2-7-14-25)35-31(37)38-23-26-15-8-3-9-16-26/h1-20,27-28H,21-23H2,(H,34,36)(H,35,37)/b18-17+/t27-,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.20E+4	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 human Cathepsin B assessed as rate constant for enzyme-inhibitor-substrate complex using Cbz-Phe-Arg-AMC as substrate measured up to 40...				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

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