Compile Data Set for Download or QSAR

Found 123 hits Enz. Inhib. hit(s) with all data for entry = 50032005   

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
Cathepsin S (Homo sapiens (Human))	BDBM50323087 (2-(4-ethoxy-3-(trifluoromethyl)phenyl)-9H-purine-6...) Show SMILES CCOc1ccc(cc1C(F)(F)F)-c1nc(C#N)c2[nH]cnc2n1 Show InChI InChI=1S/C15H10F3N5O/c1-2-24-11-4-3-8(5-9(11)15(16,17)18)13-22-10(6-19)12-14(23-13)21-7-20-12/h3-5,7H,2H2,1H3,(H,20,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin S				Bioorg Med Chem Lett 20: 4447-50 (2010) Article DOI: 10.1016/j.bmcl.2010.06.049 BindingDB Entry DOI: 10.7270/Q2RJ4JP2
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50323088 (2-(4-ethoxy-3-(trifluoromethyl)phenyl)-9-(2-hydrox...) Show SMILES CCOc1ccc(cc1C(F)(F)F)-c1nc(C#N)c2ncn(CCO)c2n1 Show InChI InChI=1S/C17H14F3N5O2/c1-2-27-13-4-3-10(7-11(13)17(18,19)20)15-23-12(8-21)14-16(24-15)25(5-6-26)9-22-14/h3-4,7,9,26H,2,5-6H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin S				Bioorg Med Chem Lett 20: 4447-50 (2010) Article DOI: 10.1016/j.bmcl.2010.06.049 BindingDB Entry DOI: 10.7270/Q2RJ4JP2
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50322917 (4-(4-ethoxy-3-(trifluoromethyl)phenyl)-6-propylpyr...) Show SMILES CCCc1cc(nc(n1)C#N)-c1ccc(OCC)c(c1)C(F)(F)F Show InChI InChI=1S/C17H16F3N3O/c1-3-5-12-9-14(23-16(10-21)22-12)11-6-7-15(24-4-2)13(8-11)17(18,19)20/h6-9H,3-5H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin S				Bioorg Med Chem Lett 20: 4447-50 (2010) Article DOI: 10.1016/j.bmcl.2010.06.049 BindingDB Entry DOI: 10.7270/Q2RJ4JP2
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50323089 (9-(3-(dimethylamino)propyl)-2-(4-ethoxy-3-(trifluo...) Show SMILES CCOc1ccc(cc1C(F)(F)F)-c1nc(C#N)c2ncn(CCCN(C)C)c2n1 Show InChI InChI=1S/C20H21F3N6O/c1-4-30-16-7-6-13(10-14(16)20(21,22)23)18-26-15(11-24)17-19(27-18)29(12-25-17)9-5-8-28(2)3/h6-7,10,12H,4-5,8-9H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.90	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin S				Bioorg Med Chem Lett 20: 4447-50 (2010) Article DOI: 10.1016/j.bmcl.2010.06.049 BindingDB Entry DOI: 10.7270/Q2RJ4JP2
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50323092 (2-(4-ethoxy-3-(trifluoromethyl)phenyl)-9-ethyl-9H-...) Show SMILES CCOc1ccc(cc1C(F)(F)F)-c1nc(C#N)c2ncn(CC)c2n1 Show InChI InChI=1S/C17H14F3N5O/c1-3-25-9-22-14-12(8-21)23-15(24-16(14)25)10-5-6-13(26-4-2)11(7-10)17(18,19)20/h5-7,9H,3-4H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin S				Bioorg Med Chem Lett 20: 4447-50 (2010) Article DOI: 10.1016/j.bmcl.2010.06.049 BindingDB Entry DOI: 10.7270/Q2RJ4JP2
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50323085 (4-(4-methyl-3-(trifluoromethyl)phenyl)-6-propylpyr...) Show SMILES CCCc1cc(nc(n1)C#N)-c1ccc(C)c(c1)C(F)(F)F Show InChI InChI=1S/C16H14F3N3/c1-3-4-12-8-14(22-15(9-20)21-12)11-6-5-10(2)13(7-11)16(17,18)19/h5-8H,3-4H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin S				Bioorg Med Chem Lett 20: 4447-50 (2010) Article DOI: 10.1016/j.bmcl.2010.06.049 BindingDB Entry DOI: 10.7270/Q2RJ4JP2
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50313467 (4-(3-tert-butylphenyl)-6-propylpyrimidine-2-carbon...) Show SMILES CCCc1cc(nc(n1)C#N)-c1cccc(c1)C(C)(C)C Show InChI InChI=1S/C18H21N3/c1-5-7-15-11-16(21-17(12-19)20-15)13-8-6-9-14(10-13)18(2,3)4/h6,8-11H,5,7H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin K				Bioorg Med Chem Lett 20: 4447-50 (2010) Article DOI: 10.1016/j.bmcl.2010.06.049 BindingDB Entry DOI: 10.7270/Q2RJ4JP2
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50323084 (4-(4-fluoro-3-(trifluoromethyl)phenyl)-6-propylpyr...) Show SMILES CCCc1cc(nc(n1)C#N)-c1ccc(F)c(c1)C(F)(F)F Show InChI InChI=1S/C15H11F4N3/c1-2-3-10-7-13(22-14(8-20)21-10)9-4-5-12(16)11(6-9)15(17,18)19/h4-7H,2-3H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin S				Bioorg Med Chem Lett 20: 4447-50 (2010) Article DOI: 10.1016/j.bmcl.2010.06.049 BindingDB Entry DOI: 10.7270/Q2RJ4JP2
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50323086 (4-(4-methoxy-3-(trifluoromethyl)phenyl)-6-propylpy...) Show SMILES CCCc1cc(nc(n1)C#N)-c1ccc(OC)c(c1)C(F)(F)F Show InChI InChI=1S/C16H14F3N3O/c1-3-4-11-8-13(22-15(9-20)21-11)10-5-6-14(23-2)12(7-10)16(17,18)19/h5-8H,3-4H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin S				Bioorg Med Chem Lett 20: 4447-50 (2010) Article DOI: 10.1016/j.bmcl.2010.06.049 BindingDB Entry DOI: 10.7270/Q2RJ4JP2
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50323085 (4-(4-methyl-3-(trifluoromethyl)phenyl)-6-propylpyr...) Show SMILES CCCc1cc(nc(n1)C#N)-c1ccc(C)c(c1)C(F)(F)F Show InChI InChI=1S/C16H14F3N3/c1-3-4-12-8-14(22-15(9-20)21-12)11-6-5-10(2)13(7-11)16(17,18)19/h5-8H,3-4H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin K				Bioorg Med Chem Lett 20: 4447-50 (2010) Article DOI: 10.1016/j.bmcl.2010.06.049 BindingDB Entry DOI: 10.7270/Q2RJ4JP2
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50323091 (2-(4-methoxy-3-(trifluoromethyl)phenyl)-9H-purine-...) Show SMILES COc1ccc(cc1C(F)(F)F)-c1nc(C#N)c2[nH]cnc2n1 Show InChI InChI=1S/C14H8F3N5O/c1-23-10-3-2-7(4-8(10)14(15,16)17)12-21-9(5-18)11-13(22-12)20-6-19-11/h2-4,6H,1H3,(H,19,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin S				Bioorg Med Chem Lett 20: 4447-50 (2010) Article DOI: 10.1016/j.bmcl.2010.06.049 BindingDB Entry DOI: 10.7270/Q2RJ4JP2
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50313465 (4-(4-chloro-3-(trifluoromethyl)phenyl)-6-propylpyr...) Show SMILES CCCc1cc(nc(n1)C#N)-c1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C15H11ClF3N3/c1-2-3-10-7-13(22-14(8-20)21-10)9-4-5-12(16)11(6-9)15(17,18)19/h4-7H,2-3H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin S				Bioorg Med Chem Lett 20: 4447-50 (2010) Article DOI: 10.1016/j.bmcl.2010.06.049 BindingDB Entry DOI: 10.7270/Q2RJ4JP2
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50323084 (4-(4-fluoro-3-(trifluoromethyl)phenyl)-6-propylpyr...) Show SMILES CCCc1cc(nc(n1)C#N)-c1ccc(F)c(c1)C(F)(F)F Show InChI InChI=1S/C15H11F4N3/c1-2-3-10-7-13(22-14(8-20)21-10)9-4-5-12(16)11(6-9)15(17,18)19/h4-7H,2-3H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin K				Bioorg Med Chem Lett 20: 4447-50 (2010) Article DOI: 10.1016/j.bmcl.2010.06.049 BindingDB Entry DOI: 10.7270/Q2RJ4JP2
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50323070 (4-propyl-6-(4-(trifluoromethoxy)-3-(trifluoromethy...) Show SMILES CCCc1cc(nc(n1)C#N)-c1ccc(OC(F)(F)F)c(c1)C(F)(F)F Show InChI InChI=1S/C16H11F6N3O/c1-2-3-10-7-12(25-14(8-23)24-10)9-4-5-13(26-16(20,21)22)11(6-9)15(17,18)19/h4-7H,2-3H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin S				Bioorg Med Chem Lett 20: 4447-50 (2010) Article DOI: 10.1016/j.bmcl.2010.06.049 BindingDB Entry DOI: 10.7270/Q2RJ4JP2
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50313461 (4-propyl-6-(3-(trifluoromethyl)phenyl)pyrimidine-2...) Show SMILES CCCc1cc(nc(n1)C#N)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C15H12F3N3/c1-2-4-12-8-13(21-14(9-19)20-12)10-5-3-6-11(7-10)15(16,17)18/h3,5-8H,2,4H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin K				Bioorg Med Chem Lett 20: 4447-50 (2010) Article DOI: 10.1016/j.bmcl.2010.06.049 BindingDB Entry DOI: 10.7270/Q2RJ4JP2
					More data for this Ligand-Target Pair				3D Structure (docked)
Cathepsin K (Homo sapiens (Human))	BDBM50313465 (4-(4-chloro-3-(trifluoromethyl)phenyl)-6-propylpyr...) Show SMILES CCCc1cc(nc(n1)C#N)-c1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C15H11ClF3N3/c1-2-3-10-7-13(22-14(8-20)21-10)9-4-5-12(16)11(6-9)15(17,18)19/h4-7H,2-3H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin K				Bioorg Med Chem Lett 20: 4447-50 (2010) Article DOI: 10.1016/j.bmcl.2010.06.049 BindingDB Entry DOI: 10.7270/Q2RJ4JP2
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50322917 (4-(4-ethoxy-3-(trifluoromethyl)phenyl)-6-propylpyr...) Show SMILES CCCc1cc(nc(n1)C#N)-c1ccc(OCC)c(c1)C(F)(F)F Show InChI InChI=1S/C17H16F3N3O/c1-3-5-12-9-14(23-16(10-21)22-12)11-6-7-15(24-4-2)13(8-11)17(18,19)20/h6-9H,3-5H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin K				Bioorg Med Chem Lett 20: 4447-50 (2010) Article DOI: 10.1016/j.bmcl.2010.06.049 BindingDB Entry DOI: 10.7270/Q2RJ4JP2
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50313461 (4-propyl-6-(3-(trifluoromethyl)phenyl)pyrimidine-2...) Show SMILES CCCc1cc(nc(n1)C#N)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C15H12F3N3/c1-2-4-12-8-13(21-14(9-19)20-12)10-5-3-6-11(7-10)15(16,17)18/h3,5-8H,2,4H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin S				Bioorg Med Chem Lett 20: 4447-50 (2010) Article DOI: 10.1016/j.bmcl.2010.06.049 BindingDB Entry DOI: 10.7270/Q2RJ4JP2
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50323073 (4-(3-bromophenyl)-6-propylpyrimidine-2-carbonitril...) Show SMILES CCCc1cc(nc(n1)C#N)-c1cccc(Br)c1 Show InChI InChI=1S/C14H12BrN3/c1-2-4-12-8-13(18-14(9-16)17-12)10-5-3-6-11(15)7-10/h3,5-8H,2,4H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin K				Bioorg Med Chem Lett 20: 4447-50 (2010) Article DOI: 10.1016/j.bmcl.2010.06.049 BindingDB Entry DOI: 10.7270/Q2RJ4JP2
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50323082 (4-(3,5-bis(trifluoromethyl)phenyl)-6-propylpyrimid...) Show SMILES CCCc1cc(nc(n1)C#N)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C16H11F6N3/c1-2-3-12-7-13(25-14(8-23)24-12)9-4-10(15(17,18)19)6-11(5-9)16(20,21)22/h4-7H,2-3H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin K				Bioorg Med Chem Lett 20: 4447-50 (2010) Article DOI: 10.1016/j.bmcl.2010.06.049 BindingDB Entry DOI: 10.7270/Q2RJ4JP2
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50323082 (4-(3,5-bis(trifluoromethyl)phenyl)-6-propylpyrimid...) Show SMILES CCCc1cc(nc(n1)C#N)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C16H11F6N3/c1-2-3-12-7-13(25-14(8-23)24-12)9-4-10(15(17,18)19)6-11(5-9)16(20,21)22/h4-7H,2-3H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin S				Bioorg Med Chem Lett 20: 4447-50 (2010) Article DOI: 10.1016/j.bmcl.2010.06.049 BindingDB Entry DOI: 10.7270/Q2RJ4JP2
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50323077 (4-(3-isopropylphenyl)-6-propylpyrimidine-2-carboni...) Show SMILES CCCc1cc(nc(n1)C#N)-c1cccc(c1)C(C)C Show InChI InChI=1S/C17H19N3/c1-4-6-15-10-16(20-17(11-18)19-15)14-8-5-7-13(9-14)12(2)3/h5,7-10,12H,4,6H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin K				Bioorg Med Chem Lett 20: 4447-50 (2010) Article DOI: 10.1016/j.bmcl.2010.06.049 BindingDB Entry DOI: 10.7270/Q2RJ4JP2
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50323071 (4-(4-isopropoxy-3-(trifluoromethyl)phenyl)-6-propy...) Show SMILES CCCc1cc(nc(n1)C#N)-c1ccc(OC(C)C)c(c1)C(F)(F)F Show InChI InChI=1S/C18H18F3N3O/c1-4-5-13-9-15(24-17(10-22)23-13)12-6-7-16(25-11(2)3)14(8-12)18(19,20)21/h6-9,11H,4-5H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin S				Bioorg Med Chem Lett 20: 4447-50 (2010) Article DOI: 10.1016/j.bmcl.2010.06.049 BindingDB Entry DOI: 10.7270/Q2RJ4JP2
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50323089 (9-(3-(dimethylamino)propyl)-2-(4-ethoxy-3-(trifluo...) Show SMILES CCOc1ccc(cc1C(F)(F)F)-c1nc(C#N)c2ncn(CCCN(C)C)c2n1 Show InChI InChI=1S/C20H21F3N6O/c1-4-30-16-7-6-13(10-14(16)20(21,22)23)18-26-15(11-24)17-19(27-18)29(12-25-17)9-5-8-28(2)3/h6-7,10,12H,4-5,8-9H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description inhibition of cathepsin S in human JY cells assessed as Lip10 accumulation by Western blotting				Bioorg Med Chem Lett 20: 4447-50 (2010) Article DOI: 10.1016/j.bmcl.2010.06.049 BindingDB Entry DOI: 10.7270/Q2RJ4JP2
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50323072 (4-(3-chlorophenyl)-6-propylpyrimidine-2-carbonitri...) Show SMILES CCCc1cc(nc(n1)C#N)-c1cccc(Cl)c1 Show InChI InChI=1S/C14H12ClN3/c1-2-4-12-8-13(18-14(9-16)17-12)10-5-3-6-11(15)7-10/h3,5-8H,2,4H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin K				Bioorg Med Chem Lett 20: 4447-50 (2010) Article DOI: 10.1016/j.bmcl.2010.06.049 BindingDB Entry DOI: 10.7270/Q2RJ4JP2
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50323090 (2-(3-(trifluoromethyl)phenyl)-9H-purine-6-carbonit...) Show SMILES FC(F)(F)c1cccc(c1)-c1nc(C#N)c2[nH]cnc2n1 Show InChI InChI=1S/C13H6F3N5/c14-13(15,16)8-3-1-2-7(4-8)11-20-9(5-17)10-12(21-11)19-6-18-10/h1-4,6H,(H,18,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin S				Bioorg Med Chem Lett 20: 4447-50 (2010) Article DOI: 10.1016/j.bmcl.2010.06.049 BindingDB Entry DOI: 10.7270/Q2RJ4JP2
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50323081 (4-(3-cyclobutylphenyl)-6-propylpyrimidine-2-carbon...) Show SMILES CCCc1cc(nc(n1)C#N)-c1cccc(c1)C1CCC1 Show InChI InChI=1S/C18H19N3/c1-2-5-16-11-17(21-18(12-19)20-16)15-9-4-8-14(10-15)13-6-3-7-13/h4,8-11,13H,2-3,5-7H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin S				Bioorg Med Chem Lett 20: 4447-50 (2010) Article DOI: 10.1016/j.bmcl.2010.06.049 BindingDB Entry DOI: 10.7270/Q2RJ4JP2
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50323070 (4-propyl-6-(4-(trifluoromethoxy)-3-(trifluoromethy...) Show SMILES CCCc1cc(nc(n1)C#N)-c1ccc(OC(F)(F)F)c(c1)C(F)(F)F Show InChI InChI=1S/C16H11F6N3O/c1-2-3-10-7-12(25-14(8-23)24-10)9-4-5-13(26-16(20,21)22)11(6-9)15(17,18)19/h4-7H,2-3H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin K				Bioorg Med Chem Lett 20: 4447-50 (2010) Article DOI: 10.1016/j.bmcl.2010.06.049 BindingDB Entry DOI: 10.7270/Q2RJ4JP2
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50323075 (4-(3-ethylphenyl)-6-propylpyrimidine-2-carbonitril...) Show SMILES CCCc1cc(nc(n1)C#N)-c1cccc(CC)c1 Show InChI InChI=1S/C16H17N3/c1-3-6-14-10-15(19-16(11-17)18-14)13-8-5-7-12(4-2)9-13/h5,7-10H,3-4,6H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin K				Bioorg Med Chem Lett 20: 4447-50 (2010) Article DOI: 10.1016/j.bmcl.2010.06.049 BindingDB Entry DOI: 10.7270/Q2RJ4JP2
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50323075 (4-(3-ethylphenyl)-6-propylpyrimidine-2-carbonitril...) Show SMILES CCCc1cc(nc(n1)C#N)-c1cccc(CC)c1 Show InChI InChI=1S/C16H17N3/c1-3-6-14-10-15(19-16(11-17)18-14)13-8-5-7-12(4-2)9-13/h5,7-10H,3-4,6H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	83	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin S				Bioorg Med Chem Lett 20: 4447-50 (2010) Article DOI: 10.1016/j.bmcl.2010.06.049 BindingDB Entry DOI: 10.7270/Q2RJ4JP2
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50323071 (4-(4-isopropoxy-3-(trifluoromethyl)phenyl)-6-propy...) Show SMILES CCCc1cc(nc(n1)C#N)-c1ccc(OC(C)C)c(c1)C(F)(F)F Show InChI InChI=1S/C18H18F3N3O/c1-4-5-13-9-15(24-17(10-22)23-13)12-6-7-16(25-11(2)3)14(8-12)18(19,20)21/h6-9,11H,4-5H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	91	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin K				Bioorg Med Chem Lett 20: 4447-50 (2010) Article DOI: 10.1016/j.bmcl.2010.06.049 BindingDB Entry DOI: 10.7270/Q2RJ4JP2
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50313469 (4-(3-(methylsulfonyl)phenyl)-6-propylpyrimidine-2-...) Show SMILES CCCc1cc(nc(n1)C#N)-c1cccc(c1)S(C)(=O)=O Show InChI InChI=1S/C15H15N3O2S/c1-3-5-12-9-14(18-15(10-16)17-12)11-6-4-7-13(8-11)21(2,19)20/h4,6-9H,3,5H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin S				Bioorg Med Chem Lett 20: 4447-50 (2010) Article DOI: 10.1016/j.bmcl.2010.06.049 BindingDB Entry DOI: 10.7270/Q2RJ4JP2
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50323079 (4-propyl-6-(3-(trifluoromethoxy)phenyl)pyrimidine-...) Show SMILES CCCc1cc(nc(n1)C#N)-c1cccc(OC(F)(F)F)c1 Show InChI InChI=1S/C15H12F3N3O/c1-2-4-11-8-13(21-14(9-19)20-11)10-5-3-6-12(7-10)22-15(16,17)18/h3,5-8H,2,4H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	115	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin S				Bioorg Med Chem Lett 20: 4447-50 (2010) Article DOI: 10.1016/j.bmcl.2010.06.049 BindingDB Entry DOI: 10.7270/Q2RJ4JP2
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50323089 (9-(3-(dimethylamino)propyl)-2-(4-ethoxy-3-(trifluo...) Show SMILES CCOc1ccc(cc1C(F)(F)F)-c1nc(C#N)c2ncn(CCCN(C)C)c2n1 Show InChI InChI=1S/C20H21F3N6O/c1-4-30-16-7-6-13(10-14(16)20(21,22)23)18-26-15(11-24)17-19(27-18)29(12-25-17)9-5-8-28(2)3/h6-7,10,12H,4-5,8-9H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	117	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin K				Bioorg Med Chem Lett 20: 4447-50 (2010) Article DOI: 10.1016/j.bmcl.2010.06.049 BindingDB Entry DOI: 10.7270/Q2RJ4JP2
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50323081 (4-(3-cyclobutylphenyl)-6-propylpyrimidine-2-carbon...) Show SMILES CCCc1cc(nc(n1)C#N)-c1cccc(c1)C1CCC1 Show InChI InChI=1S/C18H19N3/c1-2-5-16-11-17(21-18(12-19)20-16)15-9-4-8-14(10-15)13-6-3-7-13/h4,8-11,13H,2-3,5-7H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	145	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin K				Bioorg Med Chem Lett 20: 4447-50 (2010) Article DOI: 10.1016/j.bmcl.2010.06.049 BindingDB Entry DOI: 10.7270/Q2RJ4JP2
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50313469 (4-(3-(methylsulfonyl)phenyl)-6-propylpyrimidine-2-...) Show SMILES CCCc1cc(nc(n1)C#N)-c1cccc(c1)S(C)(=O)=O Show InChI InChI=1S/C15H15N3O2S/c1-3-5-12-9-14(18-15(10-16)17-12)11-6-4-7-13(8-11)21(2,19)20/h4,6-9H,3,5H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	148	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin K				Bioorg Med Chem Lett 20: 4447-50 (2010) Article DOI: 10.1016/j.bmcl.2010.06.049 BindingDB Entry DOI: 10.7270/Q2RJ4JP2
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50323072 (4-(3-chlorophenyl)-6-propylpyrimidine-2-carbonitri...) Show SMILES CCCc1cc(nc(n1)C#N)-c1cccc(Cl)c1 Show InChI InChI=1S/C14H12ClN3/c1-2-4-12-8-13(18-14(9-16)17-12)10-5-3-6-11(15)7-10/h3,5-8H,2,4H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	148	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin S				Bioorg Med Chem Lett 20: 4447-50 (2010) Article DOI: 10.1016/j.bmcl.2010.06.049 BindingDB Entry DOI: 10.7270/Q2RJ4JP2
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50323086 (4-(4-methoxy-3-(trifluoromethyl)phenyl)-6-propylpy...) Show SMILES CCCc1cc(nc(n1)C#N)-c1ccc(OC)c(c1)C(F)(F)F Show InChI InChI=1S/C16H14F3N3O/c1-3-4-11-8-13(22-15(9-20)21-11)10-5-6-14(23-2)12(7-10)16(17,18)19/h5-8H,3-4H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	151	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin K				Bioorg Med Chem Lett 20: 4447-50 (2010) Article DOI: 10.1016/j.bmcl.2010.06.049 BindingDB Entry DOI: 10.7270/Q2RJ4JP2
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50313468 (4-(3-cyclopentylphenyl)-6-propylpyrimidine-2-carbo...) Show SMILES CCCc1cc(nc(n1)C#N)-c1cccc(c1)C1CCCC1 Show InChI InChI=1S/C19H21N3/c1-2-6-17-12-18(22-19(13-20)21-17)16-10-5-9-15(11-16)14-7-3-4-8-14/h5,9-12,14H,2-4,6-8H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	155	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin S				Bioorg Med Chem Lett 20: 4447-50 (2010) Article DOI: 10.1016/j.bmcl.2010.06.049 BindingDB Entry DOI: 10.7270/Q2RJ4JP2
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50323076 (4-propyl-6-(3-propylphenyl)pyrimidine-2-carbonitri...) Show SMILES CCCc1cccc(c1)-c1cc(CCC)nc(n1)C#N Show InChI InChI=1S/C17H19N3/c1-3-6-13-8-5-9-14(10-13)16-11-15(7-4-2)19-17(12-18)20-16/h5,8-11H,3-4,6-7H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	166	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin K				Bioorg Med Chem Lett 20: 4447-50 (2010) Article DOI: 10.1016/j.bmcl.2010.06.049 BindingDB Entry DOI: 10.7270/Q2RJ4JP2
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50323073 (4-(3-bromophenyl)-6-propylpyrimidine-2-carbonitril...) Show SMILES CCCc1cc(nc(n1)C#N)-c1cccc(Br)c1 Show InChI InChI=1S/C14H12BrN3/c1-2-4-12-8-13(18-14(9-16)17-12)10-5-3-6-11(15)7-10/h3,5-8H,2,4H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	174	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin S				Bioorg Med Chem Lett 20: 4447-50 (2010) Article DOI: 10.1016/j.bmcl.2010.06.049 BindingDB Entry DOI: 10.7270/Q2RJ4JP2
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50313470 (4-propyl-6-m-tolylpyrimidine-2-carbonitrile | CHEM...) Show SMILES CCCc1cc(nc(n1)C#N)-c1cccc(C)c1 Show InChI InChI=1S/C15H15N3/c1-3-5-13-9-14(18-15(10-16)17-13)12-7-4-6-11(2)8-12/h4,6-9H,3,5H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	182	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin K				Bioorg Med Chem Lett 20: 4447-50 (2010) Article DOI: 10.1016/j.bmcl.2010.06.049 BindingDB Entry DOI: 10.7270/Q2RJ4JP2
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50313467 (4-(3-tert-butylphenyl)-6-propylpyrimidine-2-carbon...) Show SMILES CCCc1cc(nc(n1)C#N)-c1cccc(c1)C(C)(C)C Show InChI InChI=1S/C18H21N3/c1-5-7-15-11-16(21-17(12-19)20-15)13-8-6-9-14(10-13)18(2,3)4/h6,8-11H,5,7H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	191	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin S				Bioorg Med Chem Lett 20: 4447-50 (2010) Article DOI: 10.1016/j.bmcl.2010.06.049 BindingDB Entry DOI: 10.7270/Q2RJ4JP2
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50323077 (4-(3-isopropylphenyl)-6-propylpyrimidine-2-carboni...) Show SMILES CCCc1cc(nc(n1)C#N)-c1cccc(c1)C(C)C Show InChI InChI=1S/C17H19N3/c1-4-6-15-10-16(20-17(11-18)19-15)14-8-5-7-13(9-14)12(2)3/h5,7-10,12H,4,6H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	195	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin S				Bioorg Med Chem Lett 20: 4447-50 (2010) Article DOI: 10.1016/j.bmcl.2010.06.049 BindingDB Entry DOI: 10.7270/Q2RJ4JP2
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50323080 (4-(3-cyclopropylphenyl)-6-propylpyrimidine-2-carbo...) Show SMILES CCCc1cc(nc(n1)C#N)-c1cccc(c1)C1CC1 Show InChI InChI=1S/C17H17N3/c1-2-4-15-10-16(20-17(11-18)19-15)14-6-3-5-13(9-14)12-7-8-12/h3,5-6,9-10,12H,2,4,7-8H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	195	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin K				Bioorg Med Chem Lett 20: 4447-50 (2010) Article DOI: 10.1016/j.bmcl.2010.06.049 BindingDB Entry DOI: 10.7270/Q2RJ4JP2
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50323080 (4-(3-cyclopropylphenyl)-6-propylpyrimidine-2-carbo...) Show SMILES CCCc1cc(nc(n1)C#N)-c1cccc(c1)C1CC1 Show InChI InChI=1S/C17H17N3/c1-2-4-15-10-16(20-17(11-18)19-15)14-6-3-5-13(9-14)12-7-8-12/h3,5-6,9-10,12H,2,4,7-8H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin S				Bioorg Med Chem Lett 20: 4447-50 (2010) Article DOI: 10.1016/j.bmcl.2010.06.049 BindingDB Entry DOI: 10.7270/Q2RJ4JP2
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50323078 (4-(3-isobutylphenyl)-6-propylpyrimidine-2-carbonit...) Show SMILES CCCc1cc(nc(n1)C#N)-c1cccc(CC(C)C)c1 Show InChI InChI=1S/C18H21N3/c1-4-6-16-11-17(21-18(12-19)20-16)15-8-5-7-14(10-15)9-13(2)3/h5,7-8,10-11,13H,4,6,9H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	224	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin S				Bioorg Med Chem Lett 20: 4447-50 (2010) Article DOI: 10.1016/j.bmcl.2010.06.049 BindingDB Entry DOI: 10.7270/Q2RJ4JP2
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50323088 (2-(4-ethoxy-3-(trifluoromethyl)phenyl)-9-(2-hydrox...) Show SMILES CCOc1ccc(cc1C(F)(F)F)-c1nc(C#N)c2ncn(CCO)c2n1 Show InChI InChI=1S/C17H14F3N5O2/c1-2-27-13-4-3-10(7-11(13)17(18,19)20)15-23-12(8-21)14-16(24-15)25(5-6-26)9-22-14/h3-4,7,9,26H,2,5-6H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	282	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin K				Bioorg Med Chem Lett 20: 4447-50 (2010) Article DOI: 10.1016/j.bmcl.2010.06.049 BindingDB Entry DOI: 10.7270/Q2RJ4JP2
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50323074 (4-(3-acetylphenyl)-6-propylpyrimidine-2-carbonitri...) Show SMILES CCCc1cc(nc(n1)C#N)-c1cccc(c1)C(C)=O Show InChI InChI=1S/C16H15N3O/c1-3-5-14-9-15(19-16(10-17)18-14)13-7-4-6-12(8-13)11(2)20/h4,6-9H,3,5H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	316	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin K				Bioorg Med Chem Lett 20: 4447-50 (2010) Article DOI: 10.1016/j.bmcl.2010.06.049 BindingDB Entry DOI: 10.7270/Q2RJ4JP2
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50323078 (4-(3-isobutylphenyl)-6-propylpyrimidine-2-carbonit...) Show SMILES CCCc1cc(nc(n1)C#N)-c1cccc(CC(C)C)c1 Show InChI InChI=1S/C18H21N3/c1-4-6-16-11-17(21-18(12-19)20-16)15-8-5-7-14(10-15)9-13(2)3/h5,7-8,10-11,13H,4,6,9H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	398	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin K				Bioorg Med Chem Lett 20: 4447-50 (2010) Article DOI: 10.1016/j.bmcl.2010.06.049 BindingDB Entry DOI: 10.7270/Q2RJ4JP2
					More data for this Ligand-Target Pair

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