Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = 'Cysteine proteinase B' AND taxid = 5665   

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 proteinase B (Leishmania mexicana)	BDBM50134127 (CHEMBL607122) Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1)C(C)(C)C)C(=O)N1NC[C@@H]2[C@H]1C(=O)CN2C(=O)c1ccccc1 |r| Show InChI InChI=1S/C29H36N4O4/c1-18(2)15-22(31-26(35)19-11-13-21(14-12-19)29(3,4)5)28(37)33-25-23(16-30-33)32(17-24(25)34)27(36)20-9-7-6-8-10-20/h6-14,18,22-23,25,30H,15-17H2,1-5H3,(H,31,35)/t22-,23+,25-/m0/s1	PDB UniProtKB/SwissProt 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
Amura Therapeutics Limited, Inc Curated by ChEMBL					Assay Description Binding affinity against Leishmania mexicana cysteine peptidase B (CPB)				Bioorg Med Chem Lett 15: 1327-31 (2005) Article DOI: 10.1016/j.bmcl.2005.01.022 BindingDB Entry DOI: 10.7270/Q2SB46HX
					More data for this Ligand-Target Pair
Cysteine proteinase B (Leishmania mexicana)	BDBM50318879 (CHEMBL607169 | N-((S)-1-((3aR,6aS)-4-benzoyl-6-oxo...) Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1)C(C)(C)C)C(=O)N1CC[C@@H]2[C@H]1C(=O)CN2C(=O)c1ccccc1 Show InChI InChI=1S/C30H37N3O4/c1-19(2)17-23(31-27(35)20-11-13-22(14-12-20)30(3,4)5)29(37)32-16-15-24-26(32)25(34)18-33(24)28(36)21-9-7-6-8-10-21/h6-14,19,23-24,26H,15-18H2,1-5H3,(H,31,35)/t23-,24+,26-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	691	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amura Therapeutics Limited, Inc Curated by ChEMBL					Assay Description Binding affinity against Leishmania mexicana cysteine peptidase B (CPB)				Bioorg Med Chem Lett 15: 1327-31 (2005) Article DOI: 10.1016/j.bmcl.2005.01.022 BindingDB Entry DOI: 10.7270/Q2SB46HX
					More data for this Ligand-Target Pair
Cysteine proteinase B (Leishmania mexicana)	BDBM50161334 (N-[1-((S)-(S)-4-Benzoyl-6-(S)-oxo-hexahydro-2-oxa-...) Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1)N(C)C)C(=O)N1OCC2[C@H]1C(=O)CN2C(=O)c1ccccc1 Show InChI InChI=1S/C27H32N4O5/c1-17(2)14-21(28-25(33)18-10-12-20(13-11-18)29(3)4)27(35)31-24-22(16-36-31)30(15-23(24)32)26(34)19-8-6-5-7-9-19/h5-13,17,21-22,24H,14-16H2,1-4H3,(H,28,33)/t21-,22?,24-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amura Therapeutics Limited, Inc Curated by ChEMBL					Assay Description Binding affinity against Leishmania mexicana cysteine peptidase B (CPB)				Bioorg Med Chem Lett 15: 1327-31 (2005) Article DOI: 10.1016/j.bmcl.2005.01.022 BindingDB Entry DOI: 10.7270/Q2SB46HX
					More data for this Ligand-Target Pair
Cysteine proteinase B (Leishmania mexicana)	BDBM50161337 (N-[1-((S)-(S)-4-Benzoyl-6-(S)-oxo-hexahydro-pyrrol...) Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1)N(C)C)C(=O)N1CCC2[C@H]1C(=O)CN2C(=O)c1ccccc1 Show InChI InChI=1S/C28H34N4O4/c1-18(2)16-22(29-26(34)19-10-12-21(13-11-19)30(3)4)28(36)31-15-14-23-25(31)24(33)17-32(23)27(35)20-8-6-5-7-9-20/h5-13,18,22-23,25H,14-17H2,1-4H3,(H,29,34)/t22-,23?,25-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.17E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amura Therapeutics Limited, Inc Curated by ChEMBL					Assay Description Binding affinity against Leishmania mexicana cysteine peptidase B (CPB)				Bioorg Med Chem Lett 15: 1327-31 (2005) Article DOI: 10.1016/j.bmcl.2005.01.022 BindingDB Entry DOI: 10.7270/Q2SB46HX
					More data for this Ligand-Target Pair
Cysteine proteinase B (Leishmania mexicana)	BDBM50543686 (CHEMBL4640351) Show SMILES [#6]-[#8]-c1ccc([Se;v2]c2cc(nc3ccc(-[#8]-[#6])cc23)-c2ccc(-[#8])cc2)cc1 Show InChI InChI=1S/C23H19NO3Se/c1-26-17-7-10-19(11-8-17)28-23-14-22(15-3-5-16(25)6-4-15)24-21-12-9-18(27-2)13-20(21)23/h3-14,25H,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.17E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Mogi das Cruzes (UMC) Curated by ChEMBL					Assay Description Inhibition of Leishmania mexicana rCPB2.8 assessed as inhibition constant using Z-FR-AMC as substrate preincubated for 10 mins followed by substrate ...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115511 BindingDB Entry DOI: 10.7270/Q24F1VBJ
					More data for this Ligand-Target Pair
Cysteine proteinase B (Leishmania mexicana)	BDBM50543686 (CHEMBL4640351) Show SMILES [#6]-[#8]-c1ccc([Se;v2]c2cc(nc3ccc(-[#8]-[#6])cc23)-c2ccc(-[#8])cc2)cc1 Show InChI InChI=1S/C23H19NO3Se/c1-26-17-7-10-19(11-8-17)28-23-14-22(15-3-5-16(25)6-4-15)24-21-12-9-18(27-2)13-20(21)23/h3-14,25H,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Mogi das Cruzes (UMC) Curated by ChEMBL					Assay Description Inhibition of Leishmania mexicana rCPB2.8 using Z-FR-AMC as substrate by spectrofluorometric analysis				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115511 BindingDB Entry DOI: 10.7270/Q24F1VBJ
					More data for this Ligand-Target Pair
Cysteine proteinase B (Leishmania mexicana)	BDBM50543687 (CHEMBL4636701) Show SMILES [#6]-[#8]-c1ccc2nc(cc([Se;v2]c3ccccc3)c2c1)-c1c(-[#6])cccc1-[#6] Show InChI InChI=1S/C24H21NOSe/c1-16-8-7-9-17(2)24(16)22-15-23(27-19-10-5-4-6-11-19)20-14-18(26-3)12-13-21(20)25-22/h4-15H,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.29E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Mogi das Cruzes (UMC) Curated by ChEMBL					Assay Description Inhibition of Leishmania mexicana rCPB2.8 using Z-FR-AMC as substrate by spectrofluorometric analysis				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115511 BindingDB Entry DOI: 10.7270/Q24F1VBJ
					More data for this Ligand-Target Pair
Cysteine proteinase B (Leishmania mexicana)	BDBM50543688 (CHEMBL4635812) Show SMILES [#6]-[#6]-[#8]-[#6](=O)-c1cc([Se;v2]c2ccccc2)c2ccccc2n1 Show InChI InChI=1S/C18H15NO2Se/c1-2-21-18(20)16-12-17(22-13-8-4-3-5-9-13)14-10-6-7-11-15(14)19-16/h3-12H,2H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Mogi das Cruzes (UMC) Curated by ChEMBL					Assay Description Inhibition of Leishmania mexicana rCPB2.8 using Z-FR-AMC as substrate by spectrofluorometric analysis				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115511 BindingDB Entry DOI: 10.7270/Q24F1VBJ
					More data for this Ligand-Target Pair