Compile Data Set for Download or QSAR

Found 234 hits with Last Name = 'sosi?' and Initial = 'i'   

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
Procathepsin L (Homo sapiens (Human))	BDBM50460493 (CHEMBL4228921) Show SMILES Oc1c(cc([N+]([O-])=O)c2cccnc12)C(=O)NCC1CCN(CC1)c1nc2ccccc2o1 Show InChI InChI=1S/C23H21N5O5/c29-21-16(12-18(28(31)32)15-4-3-9-24-20(15)21)22(30)25-13-14-7-10-27(11-8-14)23-26-17-5-1-2-6-19(17)33-23/h1-6,9,12,14,29H,7-8,10-11,13H2,(H,25,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
University of Ljubljana Curated by ChEMBL					Assay Description Non-competitive inhibition of recombinant human cathepsin L expressed in Escherichia coli assessed as inhibitory constant for enzyme-inhibitor comple...				Bioorg Med Chem Lett 28: 1239-1247 (2018) Article DOI: 10.1016/j.bmcl.2018.02.042 BindingDB Entry DOI: 10.7270/Q218394B
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50460493 (CHEMBL4228921) Show SMILES Oc1c(cc([N+]([O-])=O)c2cccnc12)C(=O)NCC1CCN(CC1)c1nc2ccccc2o1 Show InChI InChI=1S/C23H21N5O5/c29-21-16(12-18(28(31)32)15-4-3-9-24-20(15)21)22(30)25-13-14-7-10-27(11-8-14)23-26-17-5-1-2-6-19(17)33-23/h1-6,9,12,14,29H,7-8,10-11,13H2,(H,25,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Uncompetitive inhibition of recombinant human cathepsin B endopeptidase activity assessed as inhibitory constant for enzyme-substrate-inhibitor compl...				Bioorg Med Chem Lett 28: 1239-1247 (2018) Article DOI: 10.1016/j.bmcl.2018.02.042 BindingDB Entry DOI: 10.7270/Q218394B
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50460493 (CHEMBL4228921) Show SMILES Oc1c(cc([N+]([O-])=O)c2cccnc12)C(=O)NCC1CCN(CC1)c1nc2ccccc2o1 Show InChI InChI=1S/C23H21N5O5/c29-21-16(12-18(28(31)32)15-4-3-9-24-20(15)21)22(30)25-13-14-7-10-27(11-8-14)23-26-17-5-1-2-6-19(17)33-23/h1-6,9,12,14,29H,7-8,10-11,13H2,(H,25,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of recombinant human cathepsin B endopeptidase activity assessed as inhibitory constant for enzyme-inhibitor complex using Z-Arg-Arg-AMC a...				Bioorg Med Chem Lett 28: 1239-1247 (2018) Article DOI: 10.1016/j.bmcl.2018.02.042 BindingDB Entry DOI: 10.7270/Q218394B
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50460495 (CHEMBL4227036) Show SMILES Oc1c(cc([N+]([O-])=O)c2ccc(nc12)C(=O)N(CC#N)Cc1ccccc1)[N+]([O-])=O Show InChI InChI=1S/C19H13N5O6/c20-8-9-22(11-12-4-2-1-3-5-12)19(26)14-7-6-13-15(23(27)28)10-16(24(29)30)18(25)17(13)21-14/h1-7,10,25H,9,11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Uncompetitive inhibition of recombinant human cathepsin B endopeptidase activity assessed as inhibitory constant for enzyme-substrate-inhibitor compl...				Bioorg Med Chem Lett 28: 1239-1247 (2018) Article DOI: 10.1016/j.bmcl.2018.02.042 BindingDB Entry DOI: 10.7270/Q218394B
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50460506 (CHEMBL4228863) Show SMILES CC(=O)c1ccc(cc1)-c1occc1-c1ccc([N+]([O-])=O)c2cccnc12 Show InChI InChI=1S/C21H14N2O4/c1-13(24)14-4-6-15(7-5-14)21-17(10-12-27-21)16-8-9-19(23(25)26)18-3-2-11-22-20(16)18/h2-12H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Uncompetitive inhibition of recombinant human cathepsin B exopeptidase activity assessed as inhibitory constant for enzyme-substrate-inhibitor comple...				Bioorg Med Chem Lett 28: 1239-1247 (2018) Article DOI: 10.1016/j.bmcl.2018.02.042 BindingDB Entry DOI: 10.7270/Q218394B
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50460503 (CHEMBL4228082) Show SMILES Oc1c(cc([N+]([O-])=O)c2cccnc12)C(=O)NCC1CCN(CC1)c1nc2ccccc2s1 Show InChI InChI=1S/C23H21N5O4S/c29-21-16(12-18(28(31)32)15-4-3-9-24-20(15)21)22(30)25-13-14-7-10-27(11-8-14)23-26-17-5-1-2-6-19(17)33-23/h1-6,9,12,14,29H,7-8,10-11,13H2,(H,25,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of recombinant human cathepsin B endopeptidase activity assessed as inhibitory constant for enzyme-inhibitor complex using Z-Arg-Arg-AMC a...				Bioorg Med Chem Lett 28: 1239-1247 (2018) Article DOI: 10.1016/j.bmcl.2018.02.042 BindingDB Entry DOI: 10.7270/Q218394B
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50460503 (CHEMBL4228082) Show SMILES Oc1c(cc([N+]([O-])=O)c2cccnc12)C(=O)NCC1CCN(CC1)c1nc2ccccc2s1 Show InChI InChI=1S/C23H21N5O4S/c29-21-16(12-18(28(31)32)15-4-3-9-24-20(15)21)22(30)25-13-14-7-10-27(11-8-14)23-26-17-5-1-2-6-19(17)33-23/h1-6,9,12,14,29H,7-8,10-11,13H2,(H,25,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Uncompetitive inhibition of recombinant human cathepsin B endopeptidase activity assessed as inhibitory constant for enzyme-substrate-inhibitor compl...				Bioorg Med Chem Lett 28: 1239-1247 (2018) Article DOI: 10.1016/j.bmcl.2018.02.042 BindingDB Entry DOI: 10.7270/Q218394B
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50460507 (CHEMBL4227891) Show SMILES CC(=O)c1ccc(cc1)-c1cc(c(o1)-c1ccc(cc1)C(C)=O)-c1ccc([N+]([O-])=O)c2cccnc12 Show InChI InChI=1S/C29H20N2O5/c1-17(32)19-5-9-21(10-6-19)27-16-25(29(36-27)22-11-7-20(8-12-22)18(2)33)23-13-14-26(31(34)35)24-4-3-15-30-28(23)24/h3-16H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Uncompetitive inhibition of recombinant human cathepsin B exopeptidase activity assessed as inhibitory constant for enzyme-substrate-inhibitor comple...				Bioorg Med Chem Lett 28: 1239-1247 (2018) Article DOI: 10.1016/j.bmcl.2018.02.042 BindingDB Entry DOI: 10.7270/Q218394B
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50460493 (CHEMBL4228921) Show SMILES Oc1c(cc([N+]([O-])=O)c2cccnc12)C(=O)NCC1CCN(CC1)c1nc2ccccc2o1 Show InChI InChI=1S/C23H21N5O5/c29-21-16(12-18(28(31)32)15-4-3-9-24-20(15)21)22(30)25-13-14-7-10-27(11-8-14)23-26-17-5-1-2-6-19(17)33-23/h1-6,9,12,14,29H,7-8,10-11,13H2,(H,25,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Uncompetitive inhibition of recombinant human cathepsin B exopeptidase activity assessed as inhibitory constant for enzyme-substrate-inhibitor comple...				Bioorg Med Chem Lett 28: 1239-1247 (2018) Article DOI: 10.1016/j.bmcl.2018.02.042 BindingDB Entry DOI: 10.7270/Q218394B
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50460504 (CHEMBL4224831) Show SMILES Oc1ccc([N+]([O-])=O)c2ccc(nc12)C(=O)N(CC#N)Cc1ccccc1 Show InChI InChI=1S/C19H14N4O4/c20-10-11-22(12-13-4-2-1-3-5-13)19(25)15-7-6-14-16(23(26)27)8-9-17(24)18(14)21-15/h1-9,24H,11-12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Mixed inhibition of recombinant human cathepsin B exopeptidase activity assessed as inhibitory constant for enzyme-substrate-inhibitor complex using ...				Bioorg Med Chem Lett 28: 1239-1247 (2018) Article DOI: 10.1016/j.bmcl.2018.02.042 BindingDB Entry DOI: 10.7270/Q218394B
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50460503 (CHEMBL4228082) Show SMILES Oc1c(cc([N+]([O-])=O)c2cccnc12)C(=O)NCC1CCN(CC1)c1nc2ccccc2s1 Show InChI InChI=1S/C23H21N5O4S/c29-21-16(12-18(28(31)32)15-4-3-9-24-20(15)21)22(30)25-13-14-7-10-27(11-8-14)23-26-17-5-1-2-6-19(17)33-23/h1-6,9,12,14,29H,7-8,10-11,13H2,(H,25,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Uncompetitive inhibition of recombinant human cathepsin B exopeptidase activity assessed as inhibitory constant for enzyme-substrate-inhibitor comple...				Bioorg Med Chem Lett 28: 1239-1247 (2018) Article DOI: 10.1016/j.bmcl.2018.02.042 BindingDB Entry DOI: 10.7270/Q218394B
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50460505 (CHEMBL4227143) Show SMILES COCCCOc1cc(ccc1OC)-c1ccc([N+]([O-])=O)c2cccnc12 Show InChI InChI=1S/C20H20N2O5/c1-25-11-4-12-27-19-13-14(6-9-18(19)26-2)15-7-8-17(22(23)24)16-5-3-10-21-20(15)16/h3,5-10,13H,4,11-12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Mixed inhibition of recombinant human cathepsin B exopeptidase activity assessed as inhibitory constant for enzyme-substrate-inhibitor complex using ...				Bioorg Med Chem Lett 28: 1239-1247 (2018) Article DOI: 10.1016/j.bmcl.2018.02.042 BindingDB Entry DOI: 10.7270/Q218394B
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50460500 (CHEMBL4225905) Show SMILES Oc1c(cc([N+]([O-])=O)c2ccc(nc12)C(=O)NCC#N)[N+]([O-])=O Show InChI InChI=1S/C12H7N5O6/c13-3-4-14-12(19)7-2-1-6-8(16(20)21)5-9(17(22)23)11(18)10(6)15-7/h1-2,5,18H,4H2,(H,14,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Competitive inhibition of recombinant human cathepsin B endopeptidase activity assessed as inhibitory constant for enzyme-inhibitor complex using Z-A...				Bioorg Med Chem Lett 28: 1239-1247 (2018) Article DOI: 10.1016/j.bmcl.2018.02.042 BindingDB Entry DOI: 10.7270/Q218394B
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50460481 (CHEMBL4228126) Show SMILES Oc1c(cc([N+]([O-])=O)c2cccnc12)C(=O)NCC#N Show InChI InChI=1S/C12H8N4O4/c13-3-5-15-12(18)8-6-9(16(19)20)7-2-1-4-14-10(7)11(8)17/h1-2,4,6,17H,5H2,(H,15,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Mixed inhibition of recombinant human cathepsin B exopeptidase activity assessed as inhibitory constant for enzyme-substrate-inhibitor complex using ...				Bioorg Med Chem Lett 28: 1239-1247 (2018) Article DOI: 10.1016/j.bmcl.2018.02.042 BindingDB Entry DOI: 10.7270/Q218394B
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50460483 (CHEMBL4228186) Show SMILES Oc1c(cc([N+]([O-])=O)c2cccnc12)C(=O)N(CC#N)Cc1ccccc1 Show InChI InChI=1S/C19H14N4O4/c20-8-10-22(12-13-5-2-1-3-6-13)19(25)15-11-16(23(26)27)14-7-4-9-21-17(14)18(15)24/h1-7,9,11,24H,10,12H2	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
University of Ljubljana Curated by ChEMBL					Assay Description Mixed inhibition of recombinant human cathepsin B exopeptidase activity assessed as inhibitory constant for enzyme-substrate-inhibitor complex using ...				Bioorg Med Chem Lett 28: 1239-1247 (2018) Article DOI: 10.1016/j.bmcl.2018.02.042 BindingDB Entry DOI: 10.7270/Q218394B
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50460500 (CHEMBL4225905) Show SMILES Oc1c(cc([N+]([O-])=O)c2ccc(nc12)C(=O)NCC#N)[N+]([O-])=O Show InChI InChI=1S/C12H7N5O6/c13-3-4-14-12(19)7-2-1-6-8(16(20)21)5-9(17(22)23)11(18)10(6)15-7/h1-2,5,18H,4H2,(H,14,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Mixed inhibition of recombinant human cathepsin B exopeptidase activity assessed as inhibitory constant for enzyme-substrate-inhibitor complex using ...				Bioorg Med Chem Lett 28: 1239-1247 (2018) Article DOI: 10.1016/j.bmcl.2018.02.042 BindingDB Entry DOI: 10.7270/Q218394B
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50460504 (CHEMBL4224831) Show SMILES Oc1ccc([N+]([O-])=O)c2ccc(nc12)C(=O)N(CC#N)Cc1ccccc1 Show InChI InChI=1S/C19H14N4O4/c20-10-11-22(12-13-4-2-1-3-5-13)19(25)15-7-6-14-16(23(26)27)8-9-17(24)18(14)21-15/h1-9,24H,11-12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Uncompetitive inhibition of recombinant human cathepsin B endopeptidase activity assessed as inhibitory constant for enzyme-substrate-inhibitor compl...				Bioorg Med Chem Lett 28: 1239-1247 (2018) Article DOI: 10.1016/j.bmcl.2018.02.042 BindingDB Entry DOI: 10.7270/Q218394B
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50460495 (CHEMBL4227036) Show SMILES Oc1c(cc([N+]([O-])=O)c2ccc(nc12)C(=O)N(CC#N)Cc1ccccc1)[N+]([O-])=O Show InChI InChI=1S/C19H13N5O6/c20-8-9-22(11-12-4-2-1-3-5-12)19(26)14-7-6-13-15(23(27)28)10-16(24(29)30)18(25)17(13)21-14/h1-7,10,25H,9,11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Mixed inhibition of recombinant human cathepsin B exopeptidase activity assessed as inhibitory constant for enzyme-substrate-inhibitor complex using ...				Bioorg Med Chem Lett 28: 1239-1247 (2018) Article DOI: 10.1016/j.bmcl.2018.02.042 BindingDB Entry DOI: 10.7270/Q218394B
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50460482 (CHEMBL4226671) Show SMILES Oc1c(cc([N+]([O-])=O)c2ccc(nc12)C#N)[N+]([O-])=O Show InChI InChI=1S/C10H4N4O5/c11-4-5-1-2-6-7(13(16)17)3-8(14(18)19)10(15)9(6)12-5/h1-3,15H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Uncompetitive inhibition of recombinant human cathepsin B endopeptidase activity assessed as inhibitory constant for enzyme-substrate-inhibitor compl...				Bioorg Med Chem Lett 28: 1239-1247 (2018) Article DOI: 10.1016/j.bmcl.2018.02.042 BindingDB Entry DOI: 10.7270/Q218394B
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50460507 (CHEMBL4227891) Show SMILES CC(=O)c1ccc(cc1)-c1cc(c(o1)-c1ccc(cc1)C(C)=O)-c1ccc([N+]([O-])=O)c2cccnc12 Show InChI InChI=1S/C29H20N2O5/c1-17(32)19-5-9-21(10-6-19)27-16-25(29(36-27)22-11-7-20(8-12-22)18(2)33)23-13-14-26(31(34)35)24-4-3-15-30-28(23)24/h3-16H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Uncompetitive inhibition of recombinant human cathepsin B endopeptidase activity assessed as inhibitory constant for enzyme-substrate-inhibitor compl...				Bioorg Med Chem Lett 28: 1239-1247 (2018) Article DOI: 10.1016/j.bmcl.2018.02.042 BindingDB Entry DOI: 10.7270/Q218394B
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM64987 (5-nitro-8-quinolinol | 5-nitroquinolin-8-ol | 8-HY...) Show SMILES Oc1ccc([N+]([O-])=O)c2cccnc12 Show InChI InChI=1S/C9H6N2O3/c12-8-4-3-7(11(13)14)6-2-1-5-10-9(6)8/h1-5,12H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	3.95E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Mixed inhibition of recombinant human cathepsin B endopeptidase activity assessed as inhibitory constant for enzyme-substrate-inhibitor complex using...				Bioorg Med Chem Lett 28: 1239-1247 (2018) Article DOI: 10.1016/j.bmcl.2018.02.042 BindingDB Entry DOI: 10.7270/Q218394B
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cathepsin B (Homo sapiens (Human))	BDBM50096251 (CHEMBL3593652) Show SMILES COCCN(CC1CCN(Cc2nc3ccccc3s2)CC1)C(=O)c1cc([N+]([O-])=O)c2cccnc2c1O Show InChI InChI=1S/C38H56N6O5/c1-4-26(3)34-38(49)44-22-12-11-19-33(44)37(48)39-30(17-8-6-7-15-28(45)5-2)35(46)40-31(36(47)41-34)23-27-24-43(25-42-20-13-14-21-42)32-18-10-9-16-29(27)32/h9-10,16,18,24,26,30-31,33-34H,4-8,11-15,17,19-23,25H2,1-3H3,(H,39,48)(H,40,46)(H,41,47)/t26?,30-,31-,33+,34-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Mixed inhibition of recombinant human cathepsin B endopeptidase activity assessed as inhibitory constant for enzyme-substrate-inhibitor complex using...				Bioorg Med Chem Lett 28: 1239-1247 (2018) Article DOI: 10.1016/j.bmcl.2018.02.042 BindingDB Entry DOI: 10.7270/Q218394B
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50460506 (CHEMBL4228863) Show SMILES CC(=O)c1ccc(cc1)-c1occc1-c1ccc([N+]([O-])=O)c2cccnc12 Show InChI InChI=1S/C21H14N2O4/c1-13(24)14-4-6-15(7-5-14)21-17(10-12-27-21)16-8-9-19(23(25)26)18-3-2-11-22-20(16)18/h2-12H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Uncompetitive inhibition of recombinant human cathepsin B endopeptidase activity assessed as inhibitory constant for enzyme-substrate-inhibitor compl...				Bioorg Med Chem Lett 28: 1239-1247 (2018) Article DOI: 10.1016/j.bmcl.2018.02.042 BindingDB Entry DOI: 10.7270/Q218394B
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50460483 (CHEMBL4228186) Show SMILES Oc1c(cc([N+]([O-])=O)c2cccnc12)C(=O)N(CC#N)Cc1ccccc1 Show InChI InChI=1S/C19H14N4O4/c20-8-10-22(12-13-5-2-1-3-6-13)19(25)15-11-16(23(26)27)14-7-4-9-21-17(14)18(15)24/h1-7,9,11,24H,10,12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Mixed inhibition of recombinant human cathepsin B endopeptidase activity assessed as inhibitory constant for enzyme-substrate-inhibitor complex using...				Bioorg Med Chem Lett 28: 1239-1247 (2018) Article DOI: 10.1016/j.bmcl.2018.02.042 BindingDB Entry DOI: 10.7270/Q218394B
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50460485 (CHEMBL4228583) Show SMILES Oc1ccc([N+]([O-])=O)c2ccc(nc12)C(=O)NC1(CC1)C#N Show InChI InChI=1S/C14H10N4O4/c15-7-14(5-6-14)17-13(20)9-2-1-8-10(18(21)22)3-4-11(19)12(8)16-9/h1-4,19H,5-6H2,(H,17,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Mixed inhibition of recombinant human cathepsin B endopeptidase activity assessed as inhibitory constant for enzyme-substrate-inhibitor complex using...				Bioorg Med Chem Lett 28: 1239-1247 (2018) Article DOI: 10.1016/j.bmcl.2018.02.042 BindingDB Entry DOI: 10.7270/Q218394B
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50460481 (CHEMBL4228126) Show SMILES Oc1c(cc([N+]([O-])=O)c2cccnc12)C(=O)NCC#N Show InChI InChI=1S/C12H8N4O4/c13-3-5-15-12(18)8-6-9(16(19)20)7-2-1-4-14-10(7)11(8)17/h1-2,4,6,17H,5H2,(H,15,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Uncompetitive inhibition of recombinant human cathepsin B endopeptidase activity assessed as inhibitory constant for enzyme-substrate-inhibitor compl...				Bioorg Med Chem Lett 28: 1239-1247 (2018) Article DOI: 10.1016/j.bmcl.2018.02.042 BindingDB Entry DOI: 10.7270/Q218394B
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50460494 (CHEMBL4228345) Show SMILES Oc1ccc([N+]([O-])=O)c2ccc(nc12)C#N Show InChI InChI=1S/C10H5N3O3/c11-5-6-1-2-7-8(13(15)16)3-4-9(14)10(7)12-6/h1-4,14H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Mixed inhibition of recombinant human cathepsin B endopeptidase activity assessed as inhibitory constant for enzyme-substrate-inhibitor complex using...				Bioorg Med Chem Lett 28: 1239-1247 (2018) Article DOI: 10.1016/j.bmcl.2018.02.042 BindingDB Entry DOI: 10.7270/Q218394B
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50460480 (CHEMBL4229176) Show SMILES Cc1ccc2c(ccc(O)c2n1)[N+]([O-])=O Show InChI InChI=1S/C10H8N2O3/c1-6-2-3-7-8(12(14)15)4-5-9(13)10(7)11-6/h2-5,13H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Mixed inhibition of recombinant human cathepsin B exopeptidase activity assessed as inhibitory constant for enzyme-substrate-inhibitor complex using ...				Bioorg Med Chem Lett 28: 1239-1247 (2018) Article DOI: 10.1016/j.bmcl.2018.02.042 BindingDB Entry DOI: 10.7270/Q218394B
					More data for this Ligand-Target Pair
Pro-cathepsin H (Homo sapiens (Human))	BDBM50460480 (CHEMBL4229176) Show SMILES Cc1ccc2c(ccc(O)c2n1)[N+]([O-])=O Show InChI InChI=1S/C10H8N2O3/c1-6-2-3-7-8(12(14)15)4-5-9(13)10(7)11-6/h2-5,13H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Non-competitive inhibition of human liver cathepsin H assessed as inhibitory constant for enzyme-substrate-inhibitor complex using R-AMC as substrate...				Bioorg Med Chem Lett 28: 1239-1247 (2018) Article DOI: 10.1016/j.bmcl.2018.02.042 BindingDB Entry DOI: 10.7270/Q218394B
					More data for this Ligand-Target Pair
Pro-cathepsin H (Homo sapiens (Human))	BDBM50460480 (CHEMBL4229176) Show SMILES Cc1ccc2c(ccc(O)c2n1)[N+]([O-])=O Show InChI InChI=1S/C10H8N2O3/c1-6-2-3-7-8(12(14)15)4-5-9(13)10(7)11-6/h2-5,13H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Non-competitive inhibition of human liver cathepsin H assessed as inhibitory constant for enzyme-inhibitor complex using R-AMC as substrate in presen...				Bioorg Med Chem Lett 28: 1239-1247 (2018) Article DOI: 10.1016/j.bmcl.2018.02.042 BindingDB Entry DOI: 10.7270/Q218394B
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50460496 (CHEMBL4226425) Show SMILES CC1CCN(CC1)C(=O)c1cc([N+]([O-])=O)c2cccnc2c1O Show InChI InChI=1S/C16H17N3O4/c1-10-4-7-18(8-5-10)16(21)12-9-13(19(22)23)11-3-2-6-17-14(11)15(12)20/h2-3,6,9-10,20H,4-5,7-8H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Mixed inhibition of recombinant human cathepsin B endopeptidase activity assessed as inhibitory constant for enzyme-substrate-inhibitor complex using...				Bioorg Med Chem Lett 28: 1239-1247 (2018) Article DOI: 10.1016/j.bmcl.2018.02.042 BindingDB Entry DOI: 10.7270/Q218394B
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50460492 (CHEMBL4228452) Show SMILES Oc1ccc(cc1C(=O)N(CC#N)Cc1ccccc1)[N+]([O-])=O Show InChI InChI=1S/C16H13N3O4/c17-8-9-18(11-12-4-2-1-3-5-12)16(21)14-10-13(19(22)23)6-7-15(14)20/h1-7,10,20H,9,11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Non-competitive inhibition of recombinant human cathepsin B exopeptidase activity assessed as inhibitory constant for enzyme-substrate-inhibitor comp...				Bioorg Med Chem Lett 28: 1239-1247 (2018) Article DOI: 10.1016/j.bmcl.2018.02.042 BindingDB Entry DOI: 10.7270/Q218394B
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50460492 (CHEMBL4228452) Show SMILES Oc1ccc(cc1C(=O)N(CC#N)Cc1ccccc1)[N+]([O-])=O Show InChI InChI=1S/C16H13N3O4/c17-8-9-18(11-12-4-2-1-3-5-12)16(21)14-10-13(19(22)23)6-7-15(14)20/h1-7,10,20H,9,11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Non-competitive inhibition of recombinant human cathepsin B exopeptidase activity assessed as inhibitory constant for enzyme-inhibitor complex using ...				Bioorg Med Chem Lett 28: 1239-1247 (2018) Article DOI: 10.1016/j.bmcl.2018.02.042 BindingDB Entry DOI: 10.7270/Q218394B
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50460497 (CHEMBL4226620) Show SMILES Oc1ccc(cc1CN1CCOCC1)[N+]([O-])=O Show InChI InChI=1S/C11H14N2O4/c14-11-2-1-10(13(15)16)7-9(11)8-12-3-5-17-6-4-12/h1-2,7,14H,3-6,8H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	9.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Non-competitive inhibition of recombinant human cathepsin B exopeptidase activity assessed as inhibitory constant for enzyme-substrate-inhibitor comp...				Bioorg Med Chem Lett 28: 1239-1247 (2018) Article DOI: 10.1016/j.bmcl.2018.02.042 BindingDB Entry DOI: 10.7270/Q218394B
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50460497 (CHEMBL4226620) Show SMILES Oc1ccc(cc1CN1CCOCC1)[N+]([O-])=O Show InChI InChI=1S/C11H14N2O4/c14-11-2-1-10(13(15)16)7-9(11)8-12-3-5-17-6-4-12/h1-2,7,14H,3-6,8H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	9.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Non-competitive inhibition of recombinant human cathepsin B exopeptidase activity assessed as inhibitory constant for enzyme-inhibitor complex using ...				Bioorg Med Chem Lett 28: 1239-1247 (2018) Article DOI: 10.1016/j.bmcl.2018.02.042 BindingDB Entry DOI: 10.7270/Q218394B
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50460480 (CHEMBL4229176) Show SMILES Cc1ccc2c(ccc(O)c2n1)[N+]([O-])=O Show InChI InChI=1S/C10H8N2O3/c1-6-2-3-7-8(12(14)15)4-5-9(13)10(7)11-6/h2-5,13H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Mixed inhibition of recombinant human cathepsin B endopeptidase activity assessed as inhibitory constant for enzyme-substrate-inhibitor complex using...				Bioorg Med Chem Lett 28: 1239-1247 (2018) Article DOI: 10.1016/j.bmcl.2018.02.042 BindingDB Entry DOI: 10.7270/Q218394B
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50460491 (CHEMBL4226557) Show SMILES CN(CC#N)C(=O)c1ccc2c(ccc(O)c2n1)[N+]([O-])=O Show InChI InChI=1S/C13H10N4O4/c1-16(7-6-14)13(19)9-3-2-8-10(17(20)21)4-5-11(18)12(8)15-9/h2-5,18H,7H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.02E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Mixed inhibition of recombinant human cathepsin B endopeptidase activity assessed as inhibitory constant for enzyme-inhibitor complex using Z-Arg-Arg...				Bioorg Med Chem Lett 28: 1239-1247 (2018) Article DOI: 10.1016/j.bmcl.2018.02.042 BindingDB Entry DOI: 10.7270/Q218394B
					More data for this Ligand-Target Pair
Pro-cathepsin H (Homo sapiens (Human))	BDBM50460493 (CHEMBL4228921) Show SMILES Oc1c(cc([N+]([O-])=O)c2cccnc12)C(=O)NCC1CCN(CC1)c1nc2ccccc2o1 Show InChI InChI=1S/C23H21N5O5/c29-21-16(12-18(28(31)32)15-4-3-9-24-20(15)21)22(30)25-13-14-7-10-27(11-8-14)23-26-17-5-1-2-6-19(17)33-23/h1-6,9,12,14,29H,7-8,10-11,13H2,(H,25,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.08E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Competitive inhibition of human liver cathepsin H assessed as inhibitory constant for enzyme-inhibitor complex using R-AMC as substrate in presence o...				Bioorg Med Chem Lett 28: 1239-1247 (2018) Article DOI: 10.1016/j.bmcl.2018.02.042 BindingDB Entry DOI: 10.7270/Q218394B
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50460499 (CHEMBL4227299) Show SMILES CN(CC#N)C(=O)c1ccc2c(cc(c(O)c2n1)[N+]([O-])=O)[N+]([O-])=O Show InChI InChI=1S/C13H9N5O6/c1-16(5-4-14)13(20)8-3-2-7-9(17(21)22)6-10(18(23)24)12(19)11(7)15-8/h2-3,6,19H,5H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.09E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Mixed inhibition of recombinant human cathepsin B exopeptidase activity assessed as inhibitory constant for enzyme-substrate-inhibitor complex using ...				Bioorg Med Chem Lett 28: 1239-1247 (2018) Article DOI: 10.1016/j.bmcl.2018.02.042 BindingDB Entry DOI: 10.7270/Q218394B
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50460488 (CHEMBL4227750) Show SMILES Oc1ccc([N+]([O-])=O)c2ccc(nc12)C(=O)NCC#N Show InChI InChI=1S/C12H8N4O4/c13-5-6-14-12(18)8-2-1-7-9(16(19)20)3-4-10(17)11(7)15-8/h1-4,17H,6H2,(H,14,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.16E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Mixed inhibition of recombinant human cathepsin B endopeptidase activity assessed as inhibitory constant for enzyme-substrate-inhibitor complex using...				Bioorg Med Chem Lett 28: 1239-1247 (2018) Article DOI: 10.1016/j.bmcl.2018.02.042 BindingDB Entry DOI: 10.7270/Q218394B
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50460505 (CHEMBL4227143) Show SMILES COCCCOc1cc(ccc1OC)-c1ccc([N+]([O-])=O)c2cccnc12 Show InChI InChI=1S/C20H20N2O5/c1-25-11-4-12-27-19-13-14(6-9-18(19)26-2)15-7-8-17(22(23)24)16-5-3-10-21-20(15)16/h3,5-10,13H,4,11-12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.18E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Mixed inhibition of recombinant human cathepsin B exopeptidase activity assessed as inhibitory constant for enzyme-inhibitor complex using Abz-Gly-Il...				Bioorg Med Chem Lett 28: 1239-1247 (2018) Article DOI: 10.1016/j.bmcl.2018.02.042 BindingDB Entry DOI: 10.7270/Q218394B
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50460484 (CHEMBL4226694) Show SMILES CN(CC#N)C(=O)c1cc([N+]([O-])=O)c2cccnc2c1O Show InChI InChI=1S/C13H10N4O4/c1-16(6-4-14)13(19)9-7-10(17(20)21)8-3-2-5-15-11(8)12(9)18/h2-3,5,7,18H,6H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.21E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Non-competitive inhibition of recombinant human cathepsin B exopeptidase activity assessed as inhibitory constant for enzyme-inhibitor complex using ...				Bioorg Med Chem Lett 28: 1239-1247 (2018) Article DOI: 10.1016/j.bmcl.2018.02.042 BindingDB Entry DOI: 10.7270/Q218394B
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50460484 (CHEMBL4226694) Show SMILES CN(CC#N)C(=O)c1cc([N+]([O-])=O)c2cccnc2c1O Show InChI InChI=1S/C13H10N4O4/c1-16(6-4-14)13(19)9-7-10(17(20)21)8-3-2-5-15-11(8)12(9)18/h2-3,5,7,18H,6H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.21E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Non-competitive inhibition of recombinant human cathepsin B exopeptidase activity assessed as inhibitory constant for enzyme-substrate-inhibitor comp...				Bioorg Med Chem Lett 28: 1239-1247 (2018) Article DOI: 10.1016/j.bmcl.2018.02.042 BindingDB Entry DOI: 10.7270/Q218394B
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50460487 (CHEMBL4227268) Show SMILES Oc1c(cc([N+]([O-])=O)c2cccnc12)C(=O)N1CCOCC1 Show InChI InChI=1S/C14H13N3O5/c18-13-10(14(19)16-4-6-22-7-5-16)8-11(17(20)21)9-2-1-3-15-12(9)13/h1-3,8,18H,4-7H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.22E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Non-competitive inhibition of recombinant human cathepsin B exopeptidase activity assessed as inhibitory constant for enzyme-substrate-inhibitor comp...				Bioorg Med Chem Lett 28: 1239-1247 (2018) Article DOI: 10.1016/j.bmcl.2018.02.042 BindingDB Entry DOI: 10.7270/Q218394B
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50460487 (CHEMBL4227268) Show SMILES Oc1c(cc([N+]([O-])=O)c2cccnc12)C(=O)N1CCOCC1 Show InChI InChI=1S/C14H13N3O5/c18-13-10(14(19)16-4-6-22-7-5-16)8-11(17(20)21)9-2-1-3-15-12(9)13/h1-3,8,18H,4-7H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.22E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Non-competitive inhibition of recombinant human cathepsin B exopeptidase activity assessed as inhibitory constant for enzyme-inhibitor complex using ...				Bioorg Med Chem Lett 28: 1239-1247 (2018) Article DOI: 10.1016/j.bmcl.2018.02.042 BindingDB Entry DOI: 10.7270/Q218394B
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50460480 (CHEMBL4229176) Show SMILES Cc1ccc2c(ccc(O)c2n1)[N+]([O-])=O Show InChI InChI=1S/C10H8N2O3/c1-6-2-3-7-8(12(14)15)4-5-9(13)10(7)11-6/h2-5,13H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.22E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Non-competitive inhibition of recombinant human cathepsin L expressed in Escherichia coli assessed as inhibitory constant for enzyme-inhibitor comple...				Bioorg Med Chem Lett 28: 1239-1247 (2018) Article DOI: 10.1016/j.bmcl.2018.02.042 BindingDB Entry DOI: 10.7270/Q218394B
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50460499 (CHEMBL4227299) Show SMILES CN(CC#N)C(=O)c1ccc2c(cc(c(O)c2n1)[N+]([O-])=O)[N+]([O-])=O Show InChI InChI=1S/C13H9N5O6/c1-16(5-4-14)13(20)8-3-2-7-9(17(21)22)6-10(18(23)24)12(19)11(7)15-8/h2-3,6,19H,5H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.22E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Mixed inhibition of recombinant human cathepsin B endopeptidase activity assessed as inhibitory constant for enzyme-substrate-inhibitor complex using...				Bioorg Med Chem Lett 28: 1239-1247 (2018) Article DOI: 10.1016/j.bmcl.2018.02.042 BindingDB Entry DOI: 10.7270/Q218394B
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50460494 (CHEMBL4228345) Show SMILES Oc1ccc([N+]([O-])=O)c2ccc(nc12)C#N Show InChI InChI=1S/C10H5N3O3/c11-5-6-1-2-7-8(13(15)16)3-4-9(14)10(7)12-6/h1-4,14H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.23E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Competitive inhibition of recombinant human cathepsin B endopeptidase activity assessed as inhibitory constant for enzyme-inhibitor complex using Z-A...				Bioorg Med Chem Lett 28: 1239-1247 (2018) Article DOI: 10.1016/j.bmcl.2018.02.042 BindingDB Entry DOI: 10.7270/Q218394B
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50460502 (CHEMBL4228576) Show SMILES Oc1c(cc([N+]([O-])=O)c2cccnc12)C(=O)NC1(CC1)C#N Show InChI InChI=1S/C14H10N4O4/c15-7-14(3-4-14)17-13(20)9-6-10(18(21)22)8-2-1-5-16-11(8)12(9)19/h1-2,5-6,19H,3-4H2,(H,17,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.24E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Uncompetitive inhibition of recombinant human cathepsin B endopeptidase activity assessed as inhibitory constant for enzyme-substrate-inhibitor compl...				Bioorg Med Chem Lett 28: 1239-1247 (2018) Article DOI: 10.1016/j.bmcl.2018.02.042 BindingDB Entry DOI: 10.7270/Q218394B
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50460481 (CHEMBL4228126) Show SMILES Oc1c(cc([N+]([O-])=O)c2cccnc12)C(=O)NCC#N Show InChI InChI=1S/C12H8N4O4/c13-3-5-15-12(18)8-6-9(16(19)20)7-2-1-4-14-10(7)11(8)17/h1-2,4,6,17H,5H2,(H,15,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.28E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Mixed inhibition of recombinant human cathepsin B exopeptidase activity assessed as inhibitory constant for enzyme-inhibitor complex using Abz-Gly-Il...				Bioorg Med Chem Lett 28: 1239-1247 (2018) Article DOI: 10.1016/j.bmcl.2018.02.042 BindingDB Entry DOI: 10.7270/Q218394B
					More data for this Ligand-Target Pair

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