Compile Data Set for Download or QSAR

Found 1104 hits with Last Name = 'kaiser' and Initial = 'm'   

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
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50091614 (CHEMBL3582347) Show SMILES CC(C)c1cccc(NC(=O)Nc2ccc(cc2)S(N)(=O)=O)c1 Show InChI InChI=1S/C36H47N5O4.H2O4S/c1-36(2,3)39-35(45)31-24-40(22-26-12-9-15-37-21-26)16-17-41(31)23-29(42)19-28(18-25-10-5-4-6-11-25)34(44)38-33-30-14-8-7-13-27(30)20-32(33)43;1-5(2,3)4/h4-15,21,28-29,31-33,42-43H,16-20,22-24H2,1-3H3,(H,38,44)(H,39,45);(H2,1,2,3,4)/p-2/t28-,29+,31+,32-,33?;/m1./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of carbonic anhydrase-2 (unknown origin) incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				ACS Med Chem Lett 6: 518-22 (2015) Article DOI: 10.1021/acsmedchemlett.5b00062 BindingDB Entry DOI: 10.7270/Q2GF0W8S
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50091598 (CHEMBL3582349) Show SMILES Cc1ccc(NC(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1Cl Show InChI InChI=1S/C38H47N5O5/c1-38(2,3)41-36(47)32-24-42(22-26-18-28-13-16-48-37(28)39-21-26)14-15-43(32)23-30(44)19-29(17-25-9-5-4-6-10-25)35(46)40-34-31-12-8-7-11-27(31)20-33(34)45/h4-13,16,18,21,29-30,32-34,44-45H,14-15,17,19-20,22-24H2,1-3H3,(H,40,46)(H,41,47)/t29-,30+,32+,33-,34?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.770	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of carbonic anhydrase-2 (unknown origin) incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				ACS Med Chem Lett 6: 518-22 (2015) Article DOI: 10.1021/acsmedchemlett.5b00062 BindingDB Entry DOI: 10.7270/Q2GF0W8S
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50263570 (CHEMBL4066422) Show SMILES Clc1cc2C[C@H](NC(=O)c3cc4ccccc4cc3OC\C=C\COc1cc2)C(=O)NC1(CC1)C#N |r,t:23| Show InChI InChI=1S/C28H24ClN3O4/c29-22-13-18-7-8-24(22)35-11-3-4-12-36-25-16-20-6-2-1-5-19(20)15-21(25)26(33)31-23(14-18)27(34)32-28(17-30)9-10-28/h1-8,13,15-16,23H,9-12,14H2,(H,31,33)(H,32,34)/b4-3+/t23-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland. Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-AMC as substrate by fluorimetric method				J Med Chem 61: 3350-3369 (2018) Article DOI: 10.1021/acs.jmedchem.7b01869 BindingDB Entry DOI: 10.7270/Q2R49T79
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50263570 (CHEMBL4066422) Show SMILES Clc1cc2C[C@H](NC(=O)c3cc4ccccc4cc3OC\C=C\COc1cc2)C(=O)NC1(CC1)C#N |r,t:23| Show InChI InChI=1S/C28H24ClN3O4/c29-22-13-18-7-8-24(22)35-11-3-4-12-36-25-16-20-6-2-1-5-19(20)15-21(25)26(33)31-23(14-18)27(34)32-28(17-30)9-10-28/h1-8,13,15-16,23H,9-12,14H2,(H,31,33)(H,32,34)/b4-3+/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland. Curated by ChEMBL					Assay Description Inhibition of human CatL using Cbz-Phe-Arg-AMC as substrate measured over 30 mins by fluorimetric method				J Med Chem 61: 3350-3369 (2018) Article DOI: 10.1021/acs.jmedchem.7b01869 BindingDB Entry DOI: 10.7270/Q2R49T79
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50263634 (CHEMBL4073014) Show SMILES Fc1ccc(cc1)-n1ncc(n1)C(=O)N[C@@H](Cc1ccc(Cl)c(Cl)c1)C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C22H17Cl2FN6O2/c23-16-6-1-13(9-17(16)24)10-18(21(33)29-22(12-26)7-8-22)28-20(32)19-11-27-31(30-19)15-4-2-14(25)3-5-15/h1-6,9,11,18H,7-8,10H2,(H,28,32)(H,29,33)/t18-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland. Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-AMC as substrate by fluorimetric method				J Med Chem 61: 3370-3388 (2018) Article DOI: 10.1021/acs.jmedchem.7b01870 BindingDB Entry DOI: 10.7270/Q2MC92GH
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50263572 (CHEMBL4092050) Show SMILES Fc1ccc(cc1)-c1ccc2OC\C=C\COc3ccc(C[C@H](NC(=O)c2c1)C(=O)NC1(CC1)C#N)cc3Cl |r,t:14| Show InChI InChI=1S/C30H25ClFN3O4/c31-24-15-19-3-9-27(24)39-14-2-1-13-38-26-10-6-21(20-4-7-22(32)8-5-20)17-23(26)28(36)34-25(16-19)29(37)35-30(18-33)11-12-30/h1-10,15,17,25H,11-14,16H2,(H,34,36)(H,35,37)/b2-1+/t25-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland. Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-AMC as substrate by fluorimetric method				J Med Chem 61: 3350-3369 (2018) Article DOI: 10.1021/acs.jmedchem.7b01869 BindingDB Entry DOI: 10.7270/Q2R49T79
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50263577 (CHEMBL4099651) Show SMILES CC(C)(C)c1cc2nn1CC\C=C\COc1ccc(C[C@H](NC2=O)C(=O)NC2(CC2)C#N)cc1Cl |r,t:12| Show InChI InChI=1S/C26H30ClN5O3/c1-25(2,3)22-15-20-23(33)29-19(24(34)30-26(16-28)9-10-26)14-17-7-8-21(18(27)13-17)35-12-6-4-5-11-32(22)31-20/h4,6-8,13,15,19H,5,9-12,14H2,1-3H3,(H,29,33)(H,30,34)/b6-4+/t19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland. Curated by ChEMBL					Assay Description Inhibition of human CatL using Cbz-Phe-Arg-AMC as substrate measured over 30 mins by fluorimetric method				J Med Chem 61: 3350-3369 (2018) Article DOI: 10.1021/acs.jmedchem.7b01869 BindingDB Entry DOI: 10.7270/Q2R49T79
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM210850 (US9290467, 20) Show SMILES FC(F)(F)c1ccc2c(OC\C=C\COc3ccc(C[C@H](NC2=O)C(=O)NC2(CC2)C#N)cc3Cl)c1 |r,t:11| Show InChI InChI=1S/C25H21ClF3N3O4/c26-18-11-15-3-6-20(18)35-9-1-2-10-36-21-13-16(25(27,28)29)4-5-17(21)22(33)31-19(12-15)23(34)32-24(14-30)7-8-24/h1-6,11,13,19H,7-10,12H2,(H,31,33)(H,32,34)/b2-1+/t19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland. Curated by ChEMBL					Assay Description Inhibition of human CatL using Cbz-Phe-Arg-AMC as substrate measured over 30 mins by fluorimetric method				J Med Chem 61: 3350-3369 (2018) Article DOI: 10.1021/acs.jmedchem.7b01869 BindingDB Entry DOI: 10.7270/Q2R49T79
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM210854 (US9290467, 24 | US9290467, 25 | US9290467, 26) Show SMILES Ic1cc2C[C@H](NC(=O)c3ccccc3OC\C=C\COc1cc2)C(=O)NC1(CC1)C#N |r,t:18| Show InChI InChI=1S/C24H22IN3O4/c25-18-13-16-7-8-21(18)32-12-4-3-11-31-20-6-2-1-5-17(20)22(29)27-19(14-16)23(30)28-24(15-26)9-10-24/h1-8,13,19H,9-12,14H2,(H,27,29)(H,28,30)/b4-3+/t19-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland. Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-AMC as substrate by fluorimetric method				J Med Chem 61: 3350-3369 (2018) Article DOI: 10.1021/acs.jmedchem.7b01869 BindingDB Entry DOI: 10.7270/Q2R49T79
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50263578 (CHEMBL4064172) Show SMILES Clc1cc2C[C@H](NC(=O)c3cc(C4CC4)n(CC\C=C\COc1cc2)n3)C(=O)NC1(CC1)C#N |r,t:19| Show InChI InChI=1S/C25H26ClN5O3/c26-18-12-16-4-7-22(18)34-11-3-1-2-10-31-21(17-5-6-17)14-20(30-31)23(32)28-19(13-16)24(33)29-25(15-27)8-9-25/h1,3-4,7,12,14,17,19H,2,5-6,8-11,13H2,(H,28,32)(H,29,33)/b3-1+/t19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland. Curated by ChEMBL					Assay Description Inhibition of human CatL using Cbz-Phe-Arg-AMC as substrate measured over 30 mins by fluorimetric method				J Med Chem 61: 3350-3369 (2018) Article DOI: 10.1021/acs.jmedchem.7b01869 BindingDB Entry DOI: 10.7270/Q2R49T79
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50091688 (CHEMBL3582345) Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc3ccccc3c2)cc1 Show InChI InChI=1S/C17H15N3O3S/c18-24(22,23)16-9-7-14(8-10-16)19-17(21)20-15-6-5-12-3-1-2-4-13(12)11-15/h1-11H,(H2,18,22,23)(H2,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of carbonic anhydrase-2 (unknown origin) incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				ACS Med Chem Lett 6: 518-22 (2015) Article DOI: 10.1021/acsmedchemlett.5b00062 BindingDB Entry DOI: 10.7270/Q2GF0W8S
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50091613 (CHEMBL3582348) Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(F)c(Cl)c2)cc1 Show InChI InChI=1S/C32H45N3O4S/c1-21-25(15-10-16-28(21)36)30(38)33-26(20-40-24-13-6-5-7-14-24)29(37)19-35-18-23-12-9-8-11-22(23)17-27(35)31(39)34-32(2,3)4/h5-7,10,13-16,22-23,26-27,29,36-37H,8-9,11-12,17-20H2,1-4H3,(H,33,38)(H,34,39)/t22-,23+,26?,27-,29+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of carbonic anhydrase-2 (unknown origin) incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				ACS Med Chem Lett 6: 518-22 (2015) Article DOI: 10.1021/acsmedchemlett.5b00062 BindingDB Entry DOI: 10.7270/Q2GF0W8S
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50263632 (CHEMBL4080286) Show SMILES FC(F)(F)Oc1ccc(C[C@H](NC(=O)c2cnn(n2)-c2ccccc2)C(=O)NC2(CC2)C#N)cc1Cl |r| Show InChI InChI=1S/C23H18ClF3N6O3/c24-16-10-14(6-7-19(16)36-23(25,26)27)11-17(21(35)31-22(13-28)8-9-22)30-20(34)18-12-29-33(32-18)15-4-2-1-3-5-15/h1-7,10,12,17H,8-9,11H2,(H,30,34)(H,31,35)/t17-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD 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
Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland. Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-AMC as substrate by fluorimetric method				J Med Chem 61: 3370-3388 (2018) Article DOI: 10.1021/acs.jmedchem.7b01870 BindingDB Entry DOI: 10.7270/Q2MC92GH
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50263647 (CHEMBL4099905) Show SMILES Fc1ccc(cc1)-n1ncc(n1)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C22H18ClFN6O2/c23-15-3-1-14(2-4-15)11-18(21(32)28-22(13-25)9-10-22)27-20(31)19-12-26-30(29-19)17-7-5-16(24)6-8-17/h1-8,12,18H,9-11H2,(H,27,31)(H,28,32)/t18-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland. Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-AMC as substrate by fluorimetric method				J Med Chem 61: 3370-3388 (2018) Article DOI: 10.1021/acs.jmedchem.7b01870 BindingDB Entry DOI: 10.7270/Q2MC92GH
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM210859 (US9290467, 29) Show SMILES Clc1cc2C[C@H](NC(=O)c3cc4CCCCc4cc3OCCCCOc1cc2)C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C28H30ClN3O4/c29-22-13-18-7-8-24(22)35-11-3-4-12-36-25-16-20-6-2-1-5-19(20)15-21(25)26(33)31-23(14-18)27(34)32-28(17-30)9-10-28/h7-8,13,15-16,23H,1-6,9-12,14H2,(H,31,33)(H,32,34)/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland. Curated by ChEMBL					Assay Description Inhibition of human CatL using Cbz-Phe-Arg-AMC as substrate measured over 30 mins by fluorimetric method				J Med Chem 61: 3350-3369 (2018) Article DOI: 10.1021/acs.jmedchem.7b01869 BindingDB Entry DOI: 10.7270/Q2R49T79
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50263571 (CHEMBL4062591) Show SMILES Clc1ccc(cn1)-c1ccc2c(OC\C=C\COc3ccc(C[C@H](NC2=O)C(=O)NC2(CC2)C#N)cc3Cl)c1 |r,t:15| Show InChI InChI=1S/C29H24Cl2N4O4/c30-22-13-18-3-7-24(22)38-11-1-2-12-39-25-15-19(20-5-8-26(31)33-16-20)4-6-21(25)27(36)34-23(14-18)28(37)35-29(17-32)9-10-29/h1-8,13,15-16,23H,9-12,14H2,(H,34,36)(H,35,37)/b2-1+/t23-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland. Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-AMC as substrate by fluorimetric method				J Med Chem 61: 3350-3369 (2018) Article DOI: 10.1021/acs.jmedchem.7b01869 BindingDB Entry DOI: 10.7270/Q2R49T79
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50263569 (CHEMBL4087751) Show SMILES CS(=O)(=O)c1ccc2OC\C=C\COc3ccc(C[C@H](NC(=O)c2c1)C(=O)NC1(CC1)C#N)cc3Cl |r,t:10| Show InChI InChI=1S/C25H24ClN3O6S/c1-36(32,33)17-5-7-21-18(14-17)23(30)28-20(24(31)29-25(15-27)8-9-25)13-16-4-6-22(19(26)12-16)35-11-3-2-10-34-21/h2-7,12,14,20H,8-11,13H2,1H3,(H,28,30)(H,29,31)/b3-2+/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland. Curated by ChEMBL					Assay Description Inhibition of human CatL using Cbz-Phe-Arg-AMC as substrate measured over 30 mins by fluorimetric method				J Med Chem 61: 3350-3369 (2018) Article DOI: 10.1021/acs.jmedchem.7b01869 BindingDB Entry DOI: 10.7270/Q2R49T79
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50091619 (CHEMBL3582346) Show SMILES CC(C)Oc1cccc(NC(=O)Nc2ccc(cc2)S(N)(=O)=O)c1 Show InChI InChI=1S/C16H19N3O4S/c1-11(2)23-14-5-3-4-13(10-14)19-16(20)18-12-6-8-15(9-7-12)24(17,21)22/h3-11H,1-2H3,(H2,17,21,22)(H2,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of carbonic anhydrase-2 (unknown origin) incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				ACS Med Chem Lett 6: 518-22 (2015) Article DOI: 10.1021/acsmedchemlett.5b00062 BindingDB Entry DOI: 10.7270/Q2GF0W8S
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50263689 (CHEMBL4064430) Show SMILES Clc1ccc(C[C@H](NC(=O)c2cnn(n2)C2CCOCC2)C(=O)NC2(CC2)C#N)cc1Cl |r| Show InChI InChI=1S/C21H22Cl2N6O3/c22-15-2-1-13(9-16(15)23)10-17(20(31)27-21(12-24)5-6-21)26-19(30)18-11-25-29(28-18)14-3-7-32-8-4-14/h1-2,9,11,14,17H,3-8,10H2,(H,26,30)(H,27,31)/t17-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland. Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-AMC as substrate by fluorimetric method				J Med Chem 61: 3370-3388 (2018) Article DOI: 10.1021/acs.jmedchem.7b01870 BindingDB Entry DOI: 10.7270/Q2MC92GH
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50263622 (CHEMBL4065829) Show SMILES CC(C)n1ncc(n1)C(=O)N[C@@H](Cc1ccc(OC(F)(F)F)c(Cl)c1)C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C20H20ClF3N6O3/c1-11(2)30-26-9-15(29-30)17(31)27-14(18(32)28-19(10-25)5-6-19)8-12-3-4-16(13(21)7-12)33-20(22,23)24/h3-4,7,9,11,14H,5-6,8H2,1-2H3,(H,27,31)(H,28,32)/t14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland. Curated by ChEMBL					Assay Description Inhibition of human CatL using Cbz-Phe-Arg-AMC as substrate measured over 30 mins by fluorimetric method				J Med Chem 61: 3370-3388 (2018) Article DOI: 10.1021/acs.jmedchem.7b01870 BindingDB Entry DOI: 10.7270/Q2MC92GH
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50263574 (CHEMBL4065847) Show SMILES [H][C@@]12COc3ccc(C[C@H](NC(=O)c4cc(ccc4OC[C@@]1([H])O2)S(C)(=O)=O)C(=O)NC1(CC1)C#N)cc3Cl |r| Show InChI InChI=1S/C25H24ClN3O7S/c1-37(32,33)15-3-5-19-16(10-15)23(30)28-18(24(31)29-25(13-27)6-7-25)9-14-2-4-20(17(26)8-14)35-12-22-21(36-22)11-34-19/h2-5,8,10,18,21-22H,6-7,9,11-12H2,1H3,(H,28,30)(H,29,31)/t18-,21+,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland. Curated by ChEMBL					Assay Description Inhibition of human CatL using Cbz-Phe-Arg-AMC as substrate measured over 30 mins by fluorimetric method				J Med Chem 61: 3350-3369 (2018) Article DOI: 10.1021/acs.jmedchem.7b01869 BindingDB Entry DOI: 10.7270/Q2R49T79
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50263573 (CHEMBL4080708) Show SMILES Fc1cc(F)c2OCC#CCOc3ccc(C[C@H](NC(=O)c2c1)C(=O)NC1(CC1)C#N)cc3Cl |r| Show InChI InChI=1S/C24H18ClF2N3O4/c25-17-9-14-3-4-20(17)33-7-1-2-8-34-21-16(11-15(26)12-18(21)27)22(31)29-19(10-14)23(32)30-24(13-28)5-6-24/h3-4,9,11-12,19H,5-8,10H2,(H,29,31)(H,30,32)/t19-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland. Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-AMC as substrate by fluorimetric method				J Med Chem 61: 3350-3369 (2018) Article DOI: 10.1021/acs.jmedchem.7b01869 BindingDB Entry DOI: 10.7270/Q2R49T79
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50263573 (CHEMBL4080708) Show SMILES Fc1cc(F)c2OCC#CCOc3ccc(C[C@H](NC(=O)c2c1)C(=O)NC1(CC1)C#N)cc3Cl |r| Show InChI InChI=1S/C24H18ClF2N3O4/c25-17-9-14-3-4-20(17)33-7-1-2-8-34-21-16(11-15(26)12-18(21)27)22(31)29-19(10-14)23(32)30-24(13-28)5-6-24/h3-4,9,11-12,19H,5-8,10H2,(H,29,31)(H,30,32)/t19-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland. Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-AMC as substrate by fluorimetric method				J Med Chem 61: 3350-3369 (2018) Article DOI: 10.1021/acs.jmedchem.7b01869 BindingDB Entry DOI: 10.7270/Q2R49T79
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50263576 (CHEMBL4072767) Show SMILES Clc1cc2C[C@H](NC(=O)c3cc(-c4ccccc4)n(CC\C=C\COc1cc2)n3)C(=O)NC1(CC1)C#N |r,t:22| Show InChI InChI=1S/C28H26ClN5O3/c29-21-15-19-9-10-25(21)37-14-6-2-5-13-34-24(20-7-3-1-4-8-20)17-23(33-34)26(35)31-22(16-19)27(36)32-28(18-30)11-12-28/h1-4,6-10,15,17,22H,5,11-14,16H2,(H,31,35)(H,32,36)/b6-2+/t22-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland. Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-AMC as substrate by fluorimetric method				J Med Chem 61: 3350-3369 (2018) Article DOI: 10.1021/acs.jmedchem.7b01869 BindingDB Entry DOI: 10.7270/Q2R49T79
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50263584 (CHEMBL4084294) Show SMILES FC(F)n1cc(cn1)-c1ccc2c(OC\C=C\COc3ccc(C[C@H](NC2=O)C(=O)NC2(CC2)C#N)cc3Cl)c1 |r,t:16| Show InChI InChI=1S/C28H24ClF2N5O4/c29-21-11-17-3-6-23(21)39-9-1-2-10-40-24-13-18(19-14-33-36(15-19)27(30)31)4-5-20(24)25(37)34-22(12-17)26(38)35-28(16-32)7-8-28/h1-6,11,13-15,22,27H,7-10,12H2,(H,34,37)(H,35,38)/b2-1+/t22-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland. Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-AMC as substrate by fluorimetric method				J Med Chem 61: 3350-3369 (2018) Article DOI: 10.1021/acs.jmedchem.7b01869 BindingDB Entry DOI: 10.7270/Q2R49T79
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50263568 (CHEMBL4098931) Show SMILES FC(F)(F)c1ccc2c(OC\C=C\COc3ccc(C[C@H](NC2=O)C(=O)NC2(CC2)C#N)cc3I)c1 |r,t:11| Show InChI InChI=1S/C25H21F3IN3O4/c26-25(27,28)16-4-5-17-21(13-16)36-10-2-1-9-35-20-6-3-15(11-18(20)29)12-19(31-22(17)33)23(34)32-24(14-30)7-8-24/h1-6,11,13,19H,7-10,12H2,(H,31,33)(H,32,34)/b2-1+/t19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland. Curated by ChEMBL					Assay Description Inhibition of human CatL using Cbz-Phe-Arg-AMC as substrate measured over 30 mins by fluorimetric method				J Med Chem 61: 3350-3369 (2018) Article DOI: 10.1021/acs.jmedchem.7b01869 BindingDB Entry DOI: 10.7270/Q2R49T79
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50263583 (CHEMBL4091192) Show SMILES FC(F)(F)c1ccc2c(OCCCCOc3ccc(C[C@H](NC2=O)C(=O)NC2(CC2)C#N)cc3I)c1 |r| Show InChI InChI=1S/C25H23F3IN3O4/c26-25(27,28)16-4-5-17-21(13-16)36-10-2-1-9-35-20-6-3-15(11-18(20)29)12-19(31-22(17)33)23(34)32-24(14-30)7-8-24/h3-6,11,13,19H,1-2,7-10,12H2,(H,31,33)(H,32,34)/t19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland. Curated by ChEMBL					Assay Description Inhibition of human CatL using Cbz-Phe-Arg-AMC as substrate measured over 30 mins by fluorimetric method				J Med Chem 61: 3350-3369 (2018) Article DOI: 10.1021/acs.jmedchem.7b01869 BindingDB Entry DOI: 10.7270/Q2R49T79
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50263569 (CHEMBL4087751) Show SMILES CS(=O)(=O)c1ccc2OC\C=C\COc3ccc(C[C@H](NC(=O)c2c1)C(=O)NC1(CC1)C#N)cc3Cl |r,t:10| Show InChI InChI=1S/C25H24ClN3O6S/c1-36(32,33)17-5-7-21-18(14-17)23(30)28-20(24(31)29-25(15-27)8-9-25)13-16-4-6-22(19(26)12-16)35-11-3-2-10-34-21/h2-7,12,14,20H,8-11,13H2,1H3,(H,28,30)(H,29,31)/b3-2+/t20-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland. Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-AMC as substrate by fluorimetric method				J Med Chem 61: 3350-3369 (2018) Article DOI: 10.1021/acs.jmedchem.7b01869 BindingDB Entry DOI: 10.7270/Q2R49T79
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50263683 (CHEMBL4101430) Show SMILES Clc1ccc(C[C@H](NC(=O)c2cnn(n2)C2CCC2)C(=O)NC2(CC2)C#N)cc1Cl |r| Show InChI InChI=1S/C20H20Cl2N6O2/c21-14-5-4-12(8-15(14)22)9-16(19(30)26-20(11-23)6-7-20)25-18(29)17-10-24-28(27-17)13-2-1-3-13/h4-5,8,10,13,16H,1-3,6-7,9H2,(H,25,29)(H,26,30)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland. Curated by ChEMBL					Assay Description Inhibition of human CatL using Cbz-Phe-Arg-AMC as substrate measured over 30 mins by fluorimetric method				J Med Chem 61: 3370-3388 (2018) Article DOI: 10.1021/acs.jmedchem.7b01870 BindingDB Entry DOI: 10.7270/Q2MC92GH
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50263684 (CHEMBL4093712) Show SMILES Fc1ccc(cc1)-n1ncc(n1)C(=O)N[C@@H](Cc1ccc(C#N)c(Cl)c1)C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C23H17ClFN7O2/c24-18-9-14(1-2-15(18)11-26)10-19(22(34)30-23(13-27)7-8-23)29-21(33)20-12-28-32(31-20)17-5-3-16(25)4-6-17/h1-6,9,12,19H,7-8,10H2,(H,29,33)(H,30,34)/t19-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland. Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-AMC as substrate by fluorimetric method				J Med Chem 61: 3370-3388 (2018) Article DOI: 10.1021/acs.jmedchem.7b01870 BindingDB Entry DOI: 10.7270/Q2MC92GH
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM521752 (US11149067, Compound Ahp11) Show SMILES CC(C)C[C@@H]1N2[C@H](O)CC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CCc3ccccc3)[C@H](OC(=O)[C@@H](NC(=O)[C@H](Cc3ccccc3)N(C)C1=O)C(C)C)C(C)C)C(C)C)C2=O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In general, proteolytic activity was tested by monitoring the cleavage of the specific chromogenic substrate at 405 nm wavelength for 60 or 120 minut...				Citation and Details BindingDB Entry DOI: 10.7270/Q2RR22D0
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50263571 (CHEMBL4062591) Show SMILES Clc1ccc(cn1)-c1ccc2c(OC\C=C\COc3ccc(C[C@H](NC2=O)C(=O)NC2(CC2)C#N)cc3Cl)c1 |r,t:15| Show InChI InChI=1S/C29H24Cl2N4O4/c30-22-13-18-3-7-24(22)38-11-1-2-12-39-25-15-19(20-5-8-26(31)33-16-20)4-6-21(25)27(36)34-23(14-18)28(37)35-29(17-32)9-10-29/h1-8,13,15-16,23H,9-12,14H2,(H,34,36)(H,35,37)/b2-1+/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland. Curated by ChEMBL					Assay Description Inhibition of human CatL using Cbz-Phe-Arg-AMC as substrate measured over 30 mins by fluorimetric method				J Med Chem 61: 3350-3369 (2018) Article DOI: 10.1021/acs.jmedchem.7b01869 BindingDB Entry DOI: 10.7270/Q2R49T79
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50263686 (CHEMBL4086533) Show SMILES Fc1ccc(cc1)-n1ncc(n1)C(=O)N[C@@H](Cc1ccccc1Cl)C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C22H18ClFN6O2/c23-17-4-2-1-3-14(17)11-18(21(32)28-22(13-25)9-10-22)27-20(31)19-12-26-30(29-19)16-7-5-15(24)6-8-16/h1-8,12,18H,9-11H2,(H,27,31)(H,28,32)/t18-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland. Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-AMC as substrate by fluorimetric method				J Med Chem 61: 3370-3388 (2018) Article DOI: 10.1021/acs.jmedchem.7b01870 BindingDB Entry DOI: 10.7270/Q2MC92GH
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50263633 (CHEMBL4104507) Show SMILES Fc1ccc(cc1)-n1ncc(n1)C(=O)N[C@@H](Cc1ccc(OC(F)(F)F)c(Cl)c1)C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C23H17ClF4N6O3/c24-16-9-13(1-6-19(16)37-23(26,27)28)10-17(21(36)32-22(12-29)7-8-22)31-20(35)18-11-30-34(33-18)15-4-2-14(25)3-5-15/h1-6,9,11,17H,7-8,10H2,(H,31,35)(H,32,36)/t17-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland. Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-AMC as substrate by fluorimetric method				J Med Chem 61: 3370-3388 (2018) Article DOI: 10.1021/acs.jmedchem.7b01870 BindingDB Entry DOI: 10.7270/Q2MC92GH
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50263638 (CHEMBL4102966) Show SMILES Fc1ccc(cc1)-n1ncc(n1)C(=O)N[C@@H](Cc1cccc(Cl)c1)C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C22H18ClFN6O2/c23-15-3-1-2-14(10-15)11-18(21(32)28-22(13-25)8-9-22)27-20(31)19-12-26-30(29-19)17-6-4-16(24)5-7-17/h1-7,10,12,18H,8-9,11H2,(H,27,31)(H,28,32)/t18-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland. Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-AMC as substrate by fluorimetric method				J Med Chem 61: 3370-3388 (2018) Article DOI: 10.1021/acs.jmedchem.7b01870 BindingDB Entry DOI: 10.7270/Q2MC92GH
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50263584 (CHEMBL4084294) Show SMILES FC(F)n1cc(cn1)-c1ccc2c(OC\C=C\COc3ccc(C[C@H](NC2=O)C(=O)NC2(CC2)C#N)cc3Cl)c1 |r,t:16| Show InChI InChI=1S/C28H24ClF2N5O4/c29-21-11-17-3-6-23(21)39-9-1-2-10-40-24-13-18(19-14-33-36(15-19)27(30)31)4-5-20(24)25(37)34-22(12-17)26(38)35-28(16-32)7-8-28/h1-6,11,13-15,22,27H,7-10,12H2,(H,34,37)(H,35,38)/b2-1+/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland. Curated by ChEMBL					Assay Description Inhibition of human CatL using Cbz-Phe-Arg-AMC as substrate measured over 30 mins by fluorimetric method				J Med Chem 61: 3350-3369 (2018) Article DOI: 10.1021/acs.jmedchem.7b01869 BindingDB Entry DOI: 10.7270/Q2R49T79
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50263636 (CHEMBL4065096) Show SMILES Fc1ccc(cc1)-n1ncc(n1)C(=O)N[C@@H](Cc1ccccc1C#N)C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C23H18FN7O2/c24-17-5-7-18(8-6-17)31-27-13-20(30-31)21(32)28-19(22(33)29-23(14-26)9-10-23)11-15-3-1-2-4-16(15)12-25/h1-8,13,19H,9-11H2,(H,28,32)(H,29,33)/t19-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland. Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-AMC as substrate by fluorimetric method				J Med Chem 61: 3370-3388 (2018) Article DOI: 10.1021/acs.jmedchem.7b01870 BindingDB Entry DOI: 10.7270/Q2MC92GH
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50263637 (CHEMBL4078688) Show SMILES Fc1ccc(cc1)-n1ncc(n1)C(=O)N[C@@H](Cc1ccccc1C(F)(F)F)C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C23H18F4N6O2/c24-15-5-7-16(8-6-15)33-29-12-19(32-33)20(34)30-18(21(35)31-22(13-28)9-10-22)11-14-3-1-2-4-17(14)23(25,26)27/h1-8,12,18H,9-11H2,(H,30,34)(H,31,35)/t18-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland. Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-AMC as substrate by fluorimetric method				J Med Chem 61: 3370-3388 (2018) Article DOI: 10.1021/acs.jmedchem.7b01870 BindingDB Entry DOI: 10.7270/Q2MC92GH
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50263685 (CHEMBL4082483) Show SMILES Fc1ccc(cc1)-n1ncc(n1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C22H19FN6O2/c23-16-6-8-17(9-7-16)29-25-13-19(28-29)20(30)26-18(12-15-4-2-1-3-5-15)21(31)27-22(14-24)10-11-22/h1-9,13,18H,10-12H2,(H,26,30)(H,27,31)/t18-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland. Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-AMC as substrate by fluorimetric method				J Med Chem 61: 3370-3388 (2018) Article DOI: 10.1021/acs.jmedchem.7b01870 BindingDB Entry DOI: 10.7270/Q2MC92GH
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50263635 (CHEMBL4065483) Show SMILES CC(C)(C)n1ncc(n1)C(=O)N[C@@H](Cc1ccc(OC(F)(F)F)c(Cl)c1)C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C21H22ClF3N6O3/c1-19(2,3)31-27-10-15(30-31)17(32)28-14(18(33)29-20(11-26)6-7-20)9-12-4-5-16(13(22)8-12)34-21(23,24)25/h4-5,8,10,14H,6-7,9H2,1-3H3,(H,28,32)(H,29,33)/t14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland. Curated by ChEMBL					Assay Description Inhibition of human CatL using Cbz-Phe-Arg-AMC as substrate measured over 30 mins by fluorimetric method				J Med Chem 61: 3370-3388 (2018) Article DOI: 10.1021/acs.jmedchem.7b01870 BindingDB Entry DOI: 10.7270/Q2MC92GH
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50263568 (CHEMBL4098931) Show SMILES FC(F)(F)c1ccc2c(OC\C=C\COc3ccc(C[C@H](NC2=O)C(=O)NC2(CC2)C#N)cc3I)c1 |r,t:11| Show InChI InChI=1S/C25H21F3IN3O4/c26-25(27,28)16-4-5-17-21(13-16)36-10-2-1-9-35-20-6-3-15(11-18(20)29)12-19(31-22(17)33)23(34)32-24(14-30)7-8-24/h1-6,11,13,19H,7-10,12H2,(H,31,33)(H,32,34)/b2-1+/t19-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland. Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-AMC as substrate by fluorimetric method				J Med Chem 61: 3350-3369 (2018) Article DOI: 10.1021/acs.jmedchem.7b01869 BindingDB Entry DOI: 10.7270/Q2R49T79
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50263641 (CHEMBL4094298) Show SMILES COCCOc1ccc(C[C@H](NC(=O)c2cnn(n2)-c2ccc(F)cc2)C(=O)NC2(CC2)C#N)cc1Cl |r| Show InChI InChI=1S/C25H24ClFN6O4/c1-36-10-11-37-22-7-2-16(12-19(22)26)13-20(24(35)31-25(15-28)8-9-25)30-23(34)21-14-29-33(32-21)18-5-3-17(27)4-6-18/h2-7,12,14,20H,8-11,13H2,1H3,(H,30,34)(H,31,35)/t20-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland. Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-AMC as substrate by fluorimetric method				J Med Chem 61: 3370-3388 (2018) Article DOI: 10.1021/acs.jmedchem.7b01870 BindingDB Entry DOI: 10.7270/Q2MC92GH
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50263640 (CHEMBL4084048) Show SMILES Fc1ccc(cc1)-n1ncc(n1)C(=O)N[C@@H](Cc1ccc(OCC2CC2)c(Cl)c1)C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C26H24ClFN6O3/c27-20-11-17(3-8-23(20)37-14-16-1-2-16)12-21(25(36)32-26(15-29)9-10-26)31-24(35)22-13-30-34(33-22)19-6-4-18(28)5-7-19/h3-8,11,13,16,21H,1-2,9-10,12,14H2,(H,31,35)(H,32,36)/t21-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland. Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-AMC as substrate by fluorimetric method				J Med Chem 61: 3370-3388 (2018) Article DOI: 10.1021/acs.jmedchem.7b01870 BindingDB Entry DOI: 10.7270/Q2MC92GH
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50263593 (CHEMBL4096787) Show SMILES FC(F)(F)Oc1ccc(C[C@H](NC(=O)c2cnn(n2)-c2ccc(Cl)cc2)C(=O)NC2(CC2)C#N)cc1Cl |r| Show InChI InChI=1S/C23H17Cl2F3N6O3/c24-14-2-4-15(5-3-14)34-30-11-18(33-34)20(35)31-17(21(36)32-22(12-29)7-8-22)10-13-1-6-19(16(25)9-13)37-23(26,27)28/h1-6,9,11,17H,7-8,10H2,(H,31,35)(H,32,36)/t17-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland. Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-AMC as substrate by fluorimetric method				J Med Chem 61: 3370-3388 (2018) Article DOI: 10.1021/acs.jmedchem.7b01870 BindingDB Entry DOI: 10.7270/Q2MC92GH
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM210853 (US9290467, 23) Show SMILES FC(F)(F)c1ccc2c(OCCCCOc3ccc(C[C@H](NC2=O)C(=O)NC2(CC2)C#N)cc3Cl)c1 |r| Show InChI InChI=1S/C25H23ClF3N3O4/c26-18-11-15-3-6-20(18)35-9-1-2-10-36-21-13-16(25(27,28)29)4-5-17(21)22(33)31-19(12-15)23(34)32-24(14-30)7-8-24/h3-6,11,13,19H,1-2,7-10,12H2,(H,31,33)(H,32,34)/t19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland. Curated by ChEMBL					Assay Description Inhibition of human CatL using Cbz-Phe-Arg-AMC as substrate measured over 30 mins by fluorimetric method				J Med Chem 61: 3350-3369 (2018) Article DOI: 10.1021/acs.jmedchem.7b01869 BindingDB Entry DOI: 10.7270/Q2R49T79
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM210853 (US9290467, 23) Show SMILES FC(F)(F)c1ccc2c(OCCCCOc3ccc(C[C@H](NC2=O)C(=O)NC2(CC2)C#N)cc3Cl)c1 |r| Show InChI InChI=1S/C25H23ClF3N3O4/c26-18-11-15-3-6-20(18)35-9-1-2-10-36-21-13-16(25(27,28)29)4-5-17(21)22(33)31-19(12-15)23(34)32-24(14-30)7-8-24/h3-6,11,13,19H,1-2,7-10,12H2,(H,31,33)(H,32,34)/t19-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland. Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-AMC as substrate by fluorimetric method				J Med Chem 61: 3350-3369 (2018) Article DOI: 10.1021/acs.jmedchem.7b01869 BindingDB Entry DOI: 10.7270/Q2R49T79
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50263608 (CHEMBL4093144) Show SMILES FC(F)(F)Oc1ccc(C[C@H](NC(=O)c2cnn(n2)C2CCC2)C(=O)NC2(CC2)C#N)cc1Cl |r| Show InChI InChI=1S/C21H20ClF3N6O3/c22-14-8-12(4-5-17(14)34-21(23,24)25)9-15(19(33)29-20(11-26)6-7-20)28-18(32)16-10-27-31(30-16)13-2-1-3-13/h4-5,8,10,13,15H,1-3,6-7,9H2,(H,28,32)(H,29,33)/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland. Curated by ChEMBL					Assay Description Inhibition of human CatL using Cbz-Phe-Arg-AMC as substrate measured over 30 mins by fluorimetric method				J Med Chem 61: 3370-3388 (2018) Article DOI: 10.1021/acs.jmedchem.7b01870 BindingDB Entry DOI: 10.7270/Q2MC92GH
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50263608 (CHEMBL4093144) Show SMILES FC(F)(F)Oc1ccc(C[C@H](NC(=O)c2cnn(n2)C2CCC2)C(=O)NC2(CC2)C#N)cc1Cl |r| Show InChI InChI=1S/C21H20ClF3N6O3/c22-14-8-12(4-5-17(14)34-21(23,24)25)9-15(19(33)29-20(11-26)6-7-20)28-18(32)16-10-27-31(30-16)13-2-1-3-13/h4-5,8,10,13,15H,1-3,6-7,9H2,(H,28,32)(H,29,33)/t15-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland. Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-AMC as substrate by fluorimetric method				J Med Chem 61: 3370-3388 (2018) Article DOI: 10.1021/acs.jmedchem.7b01870 BindingDB Entry DOI: 10.7270/Q2MC92GH
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50263648 (CHEMBL4095566) Show SMILES FC(F)(F)Oc1ccc(C[C@H](NC(=O)c2cnn(n2)C2CCCCC2)C(=O)NC2(CC2)C#N)cc1Cl |r| Show InChI InChI=1S/C23H24ClF3N6O3/c24-16-10-14(6-7-19(16)36-23(25,26)27)11-17(21(35)31-22(13-28)8-9-22)30-20(34)18-12-29-33(32-18)15-4-2-1-3-5-15/h6-7,10,12,15,17H,1-5,8-9,11H2,(H,30,34)(H,31,35)/t17-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland. Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-AMC as substrate by fluorimetric method				J Med Chem 61: 3370-3388 (2018) Article DOI: 10.1021/acs.jmedchem.7b01870 BindingDB Entry DOI: 10.7270/Q2MC92GH
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50263604 (CHEMBL4085387) Show SMILES FC(F)(F)Oc1ccc(C[C@H](NC(=O)c2cnn(n2)C2CCNC2)C(=O)NC2(CC2)C#N)cc1Cl |r| Show InChI InChI=1S/C21H21ClF3N7O3/c22-14-7-12(1-2-17(14)35-21(23,24)25)8-15(19(34)30-20(11-26)4-5-20)29-18(33)16-10-28-32(31-16)13-3-6-27-9-13/h1-2,7,10,13,15,27H,3-6,8-9H2,(H,29,33)(H,30,34)/t13?,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland. Curated by ChEMBL					Assay Description Inhibition of human CatL using Cbz-Phe-Arg-AMC as substrate measured over 30 mins by fluorimetric method				J Med Chem 61: 3370-3388 (2018) Article DOI: 10.1021/acs.jmedchem.7b01870 BindingDB Entry DOI: 10.7270/Q2MC92GH
					More data for this Ligand-Target Pair

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