Compile Data Set for Download or QSAR

Found 111 hits with Last Name = 'barbosa da silva' and Initial = 'e'   

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
Replicase polyprotein 1ab (2019-nCoV)	BDBM50597397 (CHEMBL5194755) Show SMILES Brc1ccc(cc1)-c1ccc(o1)C(=O)Sc1nc2ccccc2s1 Show InChI	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) Show SMILES O=C(Sc1ncccn1)c1cc2ccccc2[nH]1 Show InChI	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
Replicase polyprotein 1ab (2019-nCoV)	BDBM50597384 (CHEMBL5191017) Show SMILES Cc1nnc(SC(=O)c2ccc3ccccc3c2)s1 Show InChI	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)	BDBM50597394 (CHEMBL5178465) Show SMILES COc1ccc2cc(ccc2c1)[C@H](C)C(=O)Sc1ncccn1 |r| Show InChI	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)	BDBM50597386 (CHEMBL5207081) Show SMILES Cc1ccnc(SC(=O)c2cc3ccccc3[nH]2)n1 Show InChI	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) Show SMILES Cc1nnc(SC(=O)c2ccc(o2)C#Cc2ccccc2)s1 Show InChI	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) Show SMILES Cc1nnc(SC(=O)c2cc3ccccc3o2)s1 Show InChI	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) Show SMILES O=C(Sc1nc2ccccc2s1)c1ccc(s1)-c1ccccc1 Show InChI	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) Show SMILES CSc1nnc(SC(=O)c2cc3ccccc3[nH]2)s1 Show InChI	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
Replicase polyprotein 1ab (2019-nCoV)	BDBM50597400 (CHEMBL5197891) Show SMILES O=C(Sc1nc2ccccc2s1)c1ccc2ccccc2n1 Show InChI	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
Replicase polyprotein 1ab (2019-nCoV)	BDBM50597395 (CHEMBL5192654) Show SMILES O=C(Sc1nc2ccccc2s1)c1cc2ccccc2[nH]1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	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) Show SMILES O=C(Sc1nncs1)c1cc2ccccc2[nH]1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	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 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	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
Replicase polyprotein 1ab (2019-nCoV)	BDBM50597376 (CHEMBL5204064) Show SMILES COc1nnc(SC(=O)c2cc3ccccc3[nH]2)s1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	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
Replicase polyprotein 1ab (2019-nCoV)	BDBM50597377 (CHEMBL5207613) Show SMILES Cc1nnc(SC(=O)c2cc3ccccc3[nH]2)o1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	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
Replicase polyprotein 1ab (2019-nCoV)	BDBM50597398 (CHEMBL5181137) Show SMILES O=C(Sc1nc2ccccc2s1)c1cc2ccccc2s1 Show InChI	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
Replicase polyprotein 1ab (2019-nCoV)	BDBM50597372 (CHEMBL5188939) Show SMILES Cc1nnc(SC(=O)c2ccc3cc[nH]c3c2)s1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid 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
Replicase polyprotein 1ab (2019-nCoV)	BDBM50597373 (CHEMBL5199191) Show SMILES Cc1nnc(SC(=O)c2cccc3cc[nH]c23)s1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	250	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)	BDBM50597374 (CHEMBL5199531) Show SMILES Cc1nnc(SC(=O)c2cc3ccccc3n2C)s1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	295	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)	BDBM50597371 (CHEMBL5173920) Show SMILES Cc1nnc(SC(=O)c2ccc3[nH]ccc3c2)s1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	393	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)	BDBM50597383 (CHEMBL5192027) Show SMILES Cc1nnc(SC(=O)c2ccc([nH]2)-c2ccccc2)s1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	605	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)	BDBM50597396 (CHEMBL5186708) Show SMILES O=C(Sc1nc2ccccc2s1)c1ccc(o1)-c1ccccc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	612	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)	BDBM50597387 (CHEMBL5192248) Show SMILES Cc1cc(C)nc(SC(=O)c2cc3ccccc3[nH]2)n1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	773	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)	BDBM50518231 (CHEMBL597248 | GNF-Pf-4180 | MMV006169) Show SMILES C(Nc1nc(Nc2ccccc2)nc2ccccc12)c1ccccc1 Show InChI InChI=1S/C21H18N4/c1-3-9-16(10-4-1)15-22-20-18-13-7-8-14-19(18)24-21(25-20)23-17-11-5-2-6-12-17/h1-14H,15H2,(H2,22,23,24,25)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Competitive inhibition of Trypanosoma cruzi cruzain				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01151 BindingDB Entry DOI: 10.7270/Q26Q221R
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50518231 (CHEMBL597248 | GNF-Pf-4180 | MMV006169) Show SMILES C(Nc1nc(Nc2ccccc2)nc2ccccc12)c1ccccc1 Show InChI InChI=1S/C21H18N4/c1-3-9-16(10-4-1)15-22-20-18-13-7-8-14-19(18)24-21(25-20)23-17-11-5-2-6-12-17/h1-14H,15H2,(H2,22,23,24,25)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Competitive inhibition of Trypanosoma cruzi cruzain assessed as inhibition constant using varying levels of Z-FR-AMC as substrate by Michaelis-Menten...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01151 BindingDB Entry DOI: 10.7270/Q26Q221R
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50575008 (CHEMBL4851626) Show SMILES O=C(N1CCOCC1)c1ccc(Nc2nc(NCc3ccccc3)c3ccccc3n2)cc1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Competitive inhibition of Trypanosoma cruzi cruzain assessed as inhibition constant using varying levels of Z-FR-AMC as substrate by Michaelis-Menten...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01151 BindingDB Entry DOI: 10.7270/Q26Q221R
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50603782 (CHEMBL4596414) 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)[C@H](C(C)C)N(C)C |r,t:2| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0810	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02063 BindingDB Entry DOI: 10.7270/Q2NZ8CQ5
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	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| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0860	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02063 BindingDB Entry DOI: 10.7270/Q2NZ8CQ5
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	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| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0900	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02063 BindingDB Entry DOI: 10.7270/Q2NZ8CQ5
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50603779 (CHEMBL3558756) 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)[C@H](C(C)C)N(C)C |r,t:2| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.110	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02063 BindingDB Entry DOI: 10.7270/Q2NZ8CQ5
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50603794 (CHEMBL5184737) Show SMILES COC1=CC(=O)N(C1Cc1ccc(cc1)-c1ccc(cc1)C#N)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| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.110	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02063 BindingDB Entry DOI: 10.7270/Q2NZ8CQ5
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50603788 (CHEMBL5171874) Show SMILES COC1=CC(=O)N(C1Cc1ccc(cc1)-c1ccccc1)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| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.120	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02063 BindingDB Entry DOI: 10.7270/Q2NZ8CQ5
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50603795 (CHEMBL5175270) Show SMILES COC1=CC(=O)N(C1Cc1ccc(cc1)-c1ccc(cc1)C#N)C(=O)\C=C\[C@H](CCc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C1CCN(C)CC1 |r,t:2| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.130	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02063 BindingDB Entry DOI: 10.7270/Q2NZ8CQ5
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	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| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.190	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02063 BindingDB Entry DOI: 10.7270/Q2NZ8CQ5
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50603793 (CHEMBL5199542) Show SMILES COC1=CC(=O)N(C1Cc1ccc(cc1)-c1ccc(OC)cc1)C(=O)\C=C\[C@H](CCc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C1CCN(C)CC1 |r,t:2| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.260	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02063 BindingDB Entry DOI: 10.7270/Q2NZ8CQ5
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50603792 (CHEMBL5176188) Show SMILES COC1=CC(=O)N(C1Cc1ccc(cc1)-c1ccc(OC)cc1)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| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.280	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02063 BindingDB Entry DOI: 10.7270/Q2NZ8CQ5
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50603781 (CHEMBL4596941) Show SMILES COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)\C=C\[C@H](C)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C |r,t:2| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.340	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02063 BindingDB Entry DOI: 10.7270/Q2NZ8CQ5
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50603789 (CHEMBL5183942) Show SMILES COC1=CC(=O)N(C1Cc1ccc(cc1)-c1ccccc1)C(=O)\C=C\[C@H](CCc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C1CCN(C)CC1 |r,t:2| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02063 BindingDB Entry DOI: 10.7270/Q2NZ8CQ5
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50603783 (CHEMBL4595806) 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](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C |r,t:2| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.490	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02063 BindingDB Entry DOI: 10.7270/Q2NZ8CQ5
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50603790 (CHEMBL5191563) Show SMILES COC1=CC(=O)N(C1Cc1ccc(cc1)-c1ccc(cc1)C(F)(F)F)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| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.680	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02063 BindingDB Entry DOI: 10.7270/Q2NZ8CQ5
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50603796 (CHEMBL5204190) Show SMILES COC1=CC(=O)N(C1Cc1ccc(cc1)-c1ccc2ccccc2c1)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| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.690	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02063 BindingDB Entry DOI: 10.7270/Q2NZ8CQ5
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50603787 (CHEMBL4597308) Show SMILES COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)\C=C\[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](C(C)C)N(C)C)C1CCCCC1 |r,t:2| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.710	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02063 BindingDB Entry DOI: 10.7270/Q2NZ8CQ5
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50603780 (CHEMBL4596992) Show SMILES COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)\C=C\[C@H](C)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](C(C)C)N(C)C |r,t:2| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.740	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02063 BindingDB Entry DOI: 10.7270/Q2NZ8CQ5
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50603791 (CHEMBL5179302) Show SMILES COC1=CC(=O)N(C1Cc1ccc(cc1)-c1ccc(cc1)C(F)(F)F)C(=O)\C=C\[C@H](CCc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C1CCN(C)CC1 |r,t:2| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.790	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02063 BindingDB Entry DOI: 10.7270/Q2NZ8CQ5
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50603786 (CHEMBL4595664) 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)[C@H](C(C)C)N(C)C |r,t:2| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.850	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02063 BindingDB Entry DOI: 10.7270/Q2NZ8CQ5
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	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| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02063 BindingDB Entry DOI: 10.7270/Q2NZ8CQ5
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	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 UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02063 BindingDB Entry DOI: 10.7270/Q2NZ8CQ5
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50603784 (CHEMBL4595223) Show SMILES COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)\C=C\[C@H](C)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)C1CCN(C)CC1 |r,t:2| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02063 BindingDB Entry DOI: 10.7270/Q2NZ8CQ5
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50603797 (CHEMBL5202965) Show SMILES COC1=CC(=O)N(C1Cc1ccc(cc1)-c1ccc2ccccc2c1)C(=O)\C=C\[C@H](CCc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C1CCN(C)CC1 |r,t:2| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02063 BindingDB Entry DOI: 10.7270/Q2NZ8CQ5
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM12042 ((2R,3R)-3-{[(1S)-1-[(4-carbamimidamidobutyl)carbam...) Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H]-1-[#8]-[#6@H]-1-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7] |r| Show InChI InChI=1S/C15H27N5O5/c1-8(2)7-9(20-13(22)10-11(25-10)14(23)24)12(21)18-5-3-4-6-19-15(16)17/h8-11H,3-7H2,1-2H3,(H,18,21)(H,20,22)(H,23,24)(H4,16,17,19)/t9-,10+,11+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant Trypanosoma brucei rhodesiense MVAT4 rhodesain expressed in Pichia pastoris using Z-FR-AMC as substrate by fluorometry				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01151 BindingDB Entry DOI: 10.7270/Q26Q221R
					More data for this Ligand-Target Pair

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