Compile Data Set for Download or QSAR

Found 66 hits with Last Name = 'selzer' and Initial = 'pm'   

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 K (Homo sapiens (Human))	BDBM50098577 (Benzofuran-2-carboxylic acid {3-methyl-1-[3-oxo-1-...) Show SMILES CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@@H]1CCCN(CC1=O)S(=O)(=O)c1ccccn1 Show InChI InChI=1S/C26H30N4O6S/c1-17(2)14-20(29-26(33)23-15-18-8-3-4-10-22(18)36-23)25(32)28-19-9-7-13-30(16-21(19)31)37(34,35)24-11-5-6-12-27-24/h3-6,8,10-12,15,17,19-20H,7,9,13-14,16H2,1-2H3,(H,28,32)(H,29,33)/t19-,20+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MSD Animal Health Innovation GmbH Curated by ChEMBL					Assay Description Inhibition of human cathepsin K				J Med Chem 56: 1478-90 (2013) Article DOI: 10.1021/jm3013932 BindingDB Entry DOI: 10.7270/Q2W09774
					More data for this Ligand-Target Pair				3D Structure (docked)
Cathepsin K (Homo sapiens (Human))	BDBM50408519 (CHEMBL115357) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)NNC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C29H40N6O7/c1-19(2)15-23(30-28(39)41-17-21-11-7-5-8-12-21)25(36)32-34-27(38)35-33-26(37)24(16-20(3)4)31-29(40)42-18-22-13-9-6-10-14-22/h5-14,19-20,23-24H,15-18H2,1-4H3,(H,30,39)(H,31,40)(H,32,36)(H,33,37)(H2,34,35,38)/t23-,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MSD Animal Health Innovation GmbH Curated by ChEMBL					Assay Description Inhibition of human cathepsin K				J Med Chem 56: 1478-90 (2013) Article DOI: 10.1021/jm3013932 BindingDB Entry DOI: 10.7270/Q2W09774
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM12042 ((2R,3R)-3-{[(1S)-1-[(4-carbamimidamidobutyl)carbam...) Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H]-1-[#8]-[#6@H]-1-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7] |r| Show InChI InChI=1S/C15H27N5O5/c1-8(2)7-9(20-13(22)10-11(25-10)14(23)24)12(21)18-5-3-4-6-19-15(16)17/h8-11H,3-7H2,1-2H3,(H,18,21)(H,20,22)(H,23,24)(H4,16,17,19)/t9-,10+,11+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MSD Animal Health Innovation GmbH Curated by ChEMBL					Assay Description Inhibition of human cathepsin K by gelatin zymographic analysis				J Med Chem 56: 1478-90 (2013) Article DOI: 10.1021/jm3013932 BindingDB Entry DOI: 10.7270/Q2W09774
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM19807 (CHEMBL100563 | benzyl N-[(1S)-1-({1-[(2S)-2-{[(ben...) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC1CN(CC1=O)C(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C32H42N4O7/c1-21(2)15-25(34-31(40)42-19-23-11-7-5-8-12-23)29(38)33-27-17-36(18-28(27)37)30(39)26(16-22(3)4)35-32(41)43-20-24-13-9-6-10-14-24/h5-14,21-22,25-27H,15-20H2,1-4H3,(H,33,38)(H,34,40)(H,35,41)/t25-,26-,27?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MSD Animal Health Innovation GmbH Curated by ChEMBL					Assay Description Inhibition of cathepsin K (unknown origin)				J Med Chem 56: 1478-90 (2013) Article DOI: 10.1021/jm3013932 BindingDB Entry DOI: 10.7270/Q2W09774
					More data for this Ligand-Target Pair				3D Structure (docked)
Cathepsin K (Homo sapiens (Human))	BDBM50066648 (((S)-3-Methyl-1-{3-[(S)-4-methyl-2-(pyridin-4-ylme...) Show SMILES CC(C)C[C@@H](CN1CC(NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccncc2)C(=O)C1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C31H43N5O6/c1-21(2)14-25(33-30(39)41-19-23-8-6-5-7-9-23)16-36-17-27(28(37)18-36)34-29(38)26(15-22(3)4)35-31(40)42-20-24-10-12-32-13-11-24/h5-13,21-22,25-27H,14-20H2,1-4H3,(H,33,39)(H,34,38)(H,35,40)/t25-,26-,27?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MSD Animal Health Innovation GmbH Curated by ChEMBL					Assay Description Inhibition of cathepsin K (unknown origin)				J Med Chem 56: 1478-90 (2013) Article DOI: 10.1021/jm3013932 BindingDB Entry DOI: 10.7270/Q2W09774
					More data for this Ligand-Target Pair				3D Structure (docked)
Cathepsin K (Homo sapiens (Human))	BDBM50426169 (CHEMBL2316589) Show SMILES CC(C)CC(C(=O)NCC(=O)CNS(=O)(=O)c1ccccn1)c1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C26H29N3O4S/c1-19(2)15-24(22-12-8-11-21(16-22)20-9-4-3-5-10-20)26(31)28-17-23(30)18-29-34(32,33)25-13-6-7-14-27-25/h3-14,16,19,24,29H,15,17-18H2,1-2H3,(H,28,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MSD Animal Health Innovation GmbH Curated by ChEMBL					Assay Description Inhibition of cathepsin K (unknown origin)				J Med Chem 56: 1478-90 (2013) Article DOI: 10.1021/jm3013932 BindingDB Entry DOI: 10.7270/Q2W09774
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50079596 (((S)-1-{N'-[2-((S)-1-Benzyloxycarbonylamino-3-meth...) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)c1csc(n1)[C@H](CC(C)C)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C31H39N5O6S/c1-20(2)15-24(33-30(39)41-17-22-11-7-5-8-12-22)27(37)35-36-28(38)26-19-43-29(32-26)25(16-21(3)4)34-31(40)42-18-23-13-9-6-10-14-23/h5-14,19-21,24-25H,15-18H2,1-4H3,(H,33,39)(H,34,40)(H,35,37)(H,36,38)/t24-,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MSD Animal Health Innovation GmbH Curated by ChEMBL					Assay Description Inhibition of human cathepsin K				J Med Chem 56: 1478-90 (2013) Article DOI: 10.1021/jm3013932 BindingDB Entry DOI: 10.7270/Q2W09774
					More data for this Ligand-Target Pair				3D Structure (docked)
Cathepsin K (Homo sapiens (Human))	BDBM50426167 (CHEMBL2316590) Show SMILES CC(C)CC(NC(=O)N1CCNCC1)C(=O)NC(CCc1ccccc1)C=CS(=O)(=O)c1ccccc1 |w:26.27| Show InChI InChI=1S/C28H38N4O4S/c1-22(2)21-26(31-28(34)32-18-16-29-17-19-32)27(33)30-24(14-13-23-9-5-3-6-10-23)15-20-37(35,36)25-11-7-4-8-12-25/h3-12,15,20,22,24,26,29H,13-14,16-19,21H2,1-2H3,(H,30,33)(H,31,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
MSD Animal Health Innovation GmbH Curated by ChEMBL					Assay Description Inhibition of human cathepsin K				J Med Chem 56: 1478-90 (2013) Article DOI: 10.1021/jm3013932 BindingDB Entry DOI: 10.7270/Q2W09774
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50426170 (CHEMBL2316313) Show SMILES CC(C)CC(NC(=O)c1ccncc1)C(=O)NCC(=O)CNS(=O)(=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C27H30N4O6S/c1-19(2)16-25(31-26(33)20-12-14-28-15-13-20)27(34)29-17-21(32)18-30-38(35,36)24-10-8-23(9-11-24)37-22-6-4-3-5-7-22/h3-15,19,25,30H,16-18H2,1-2H3,(H,29,34)(H,31,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MSD Animal Health Innovation GmbH Curated by ChEMBL					Assay Description Inhibition of cathepsin K (unknown origin)				J Med Chem 56: 1478-90 (2013) Article DOI: 10.1021/jm3013932 BindingDB Entry DOI: 10.7270/Q2W09774
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50066650 (1,3-BIS[[N-[(PHENYLMETHOXY)CARBONYL]-L-LEUCYL]AMIN...) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C31H42N4O7/c1-21(2)15-26(34-30(39)41-19-23-11-7-5-8-12-23)28(37)32-17-25(36)18-33-29(38)27(16-22(3)4)35-31(40)42-20-24-13-9-6-10-14-24/h5-14,21-22,26-27H,15-20H2,1-4H3,(H,32,37)(H,33,38)(H,34,39)(H,35,40)/t26-,27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MSD Animal Health Innovation GmbH Curated by ChEMBL					Assay Description Inhibition of cathepsin K (unknown origin)				J Med Chem 56: 1478-90 (2013) Article DOI: 10.1021/jm3013932 BindingDB Entry DOI: 10.7270/Q2W09774
					More data for this Ligand-Target Pair				3D Structure (docked)
Cathepsin K (Homo sapiens (Human))	BDBM50426168 (CHEMBL2316303) Show SMILES CCCCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccc(Br)cc1)C=O Show InChI InChI=1S/C20H29BrN2O4/c1-4-5-6-17(12-24)22-19(25)18(11-14(2)3)23-20(26)27-13-15-7-9-16(21)10-8-15/h7-10,12,14,17-18H,4-6,11,13H2,1-3H3,(H,22,25)(H,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.25	n/a	n/a	n/a	n/a	n/a	n/a
MSD Animal Health Innovation GmbH Curated by ChEMBL					Assay Description Inhibition of cathepsin K (unknown origin)				J Med Chem 56: 1478-90 (2013) Article DOI: 10.1021/jm3013932 BindingDB Entry DOI: 10.7270/Q2W09774
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cathepsin K (Homo sapiens (Human))	BDBM50426166 (CHEMBL2316304) Show SMILES CCCCC(NC(=O)OCC1(CCC1)c1ccc(F)cc1)C(=O)C(=O)Nc1ccn[nH]1 Show InChI InChI=1S/C22H27FN4O4/c1-2-3-5-17(19(28)20(29)26-18-10-13-24-27-18)25-21(30)31-14-22(11-4-12-22)15-6-8-16(23)9-7-15/h6-10,13,17H,2-5,11-12,14H2,1H3,(H,25,30)(H2,24,26,27,29)	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	0.830	n/a	n/a	n/a	n/a	n/a	n/a
MSD Animal Health Innovation GmbH Curated by ChEMBL					Assay Description Inhibition of human cathepsin K				J Med Chem 56: 1478-90 (2013) Article DOI: 10.1021/jm3013932 BindingDB Entry DOI: 10.7270/Q2W09774
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50137816 (((S)-1-Cyclohexyl-2-oxo-ethyl)-carbamic acid tert-...) Show SMILES CC(C)(C)OC(=O)N[C@H](C=O)C1CCCCC1 Show InChI InChI=1S/C13H23NO3/c1-13(2,3)17-12(16)14-11(9-15)10-7-5-4-6-8-10/h9-11H,4-8H2,1-3H3,(H,14,16)/t11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
MSD Animal Health Innovation GmbH Curated by ChEMBL					Assay Description Inhibition of cathepsin K (unknown origin)				J Med Chem 56: 1478-90 (2013) Article DOI: 10.1021/jm3013932 BindingDB Entry DOI: 10.7270/Q2W09774
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cathepsin K (Homo sapiens (Human))	BDBM50426157 (CHEMBL2316613) Show SMILES CC(=NNC(N)=S)c1csc(n1)-c1ccccc1 |w:2.2| Show InChI InChI=1S/C12H12N4S2/c1-8(15-16-12(13)17)10-7-18-11(14-10)9-5-3-2-4-6-9/h2-7H,1H3,(H3,13,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
MSD Animal Health Innovation GmbH Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged cathepsin K using Cbz-Phe-Arg-AMC as substrate incubated for 30 mins prior to substrate addition by FRET a...				J Med Chem 56: 1478-90 (2013) Article DOI: 10.1021/jm3013932 BindingDB Entry DOI: 10.7270/Q2W09774
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50303426 (4-(isopropylamino)-6-(phenylamino)-1,3,5-triazine-...) Show SMILES CC(C)Nc1nc(Nc2ccccc2)nc(n1)C#N Show InChI InChI=1S/C13H14N6/c1-9(2)15-12-17-11(8-14)18-13(19-12)16-10-6-4-3-5-7-10/h3-7,9H,1-2H3,(H2,15,16,17,18,19)	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
MSD Animal Health Innovation GmbH Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged cathepsin K using Cbz-Phe-Arg-AMC as substrate incubated for 30 mins prior to substrate addition by FRET a...				J Med Chem 56: 1478-90 (2013) Article DOI: 10.1021/jm3013932 BindingDB Entry DOI: 10.7270/Q2W09774
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50426153 (CHEMBL1355124) Show SMILES N#Cc1nc(nc(n1)N1CCCC1)N(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C20H18N6/c21-15-18-22-19(25-13-7-8-14-25)24-20(23-18)26(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-6,9-12H,7-8,13-14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
MSD Animal Health Innovation GmbH Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged cathepsin K using Cbz-Phe-Arg-AMC as substrate incubated for 30 mins prior to substrate addition by FRET a...				J Med Chem 56: 1478-90 (2013) Article DOI: 10.1021/jm3013932 BindingDB Entry DOI: 10.7270/Q2W09774
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50426127 (CHEMBL2316307) Show SMILES CC1(C)CC(=O)NC1(C)C#N Show InChI InChI=1S/C8H12N2O/c1-7(2)4-6(11)10-8(7,3)5-9/h4H2,1-3H3,(H,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
MSD Animal Health Innovation GmbH Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged cathepsin K using Cbz-Phe-Arg-AMC as substrate incubated for 30 mins prior to substrate addition by FRET a...				J Med Chem 56: 1478-90 (2013) Article DOI: 10.1021/jm3013932 BindingDB Entry DOI: 10.7270/Q2W09774
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50426132 (CHEMBL2316606) Show SMILES CC(COc1ccc(cc1)-c1csnn1)=NNC(N)=S |w:15.17| Show InChI InChI=1S/C12H13N5OS2/c1-8(14-16-12(13)19)6-18-10-4-2-9(3-5-10)11-7-20-17-15-11/h2-5,7H,6H2,1H3,(H3,13,16,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
MSD Animal Health Innovation GmbH Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged cathepsin K using Cbz-Phe-Arg-AMC as substrate incubated for 30 mins prior to substrate addition by FRET a...				J Med Chem 56: 1478-90 (2013) Article DOI: 10.1021/jm3013932 BindingDB Entry DOI: 10.7270/Q2W09774
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50426138 (CHEMBL2316600) Show SMILES COC(=O)c1ccc(COc2ccc(C=CC(C)=NNC(N)=S)cc2)cc1 |w:14.13,18.18| Show InChI InChI=1S/C20H21N3O3S/c1-14(22-23-20(21)27)3-4-15-7-11-18(12-8-15)26-13-16-5-9-17(10-6-16)19(24)25-2/h3-12H,13H2,1-2H3,(H3,21,23,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
MSD Animal Health Innovation GmbH Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged cathepsin K using Cbz-Phe-Arg-AMC as substrate incubated for 30 mins prior to substrate addition by FRET a...				J Med Chem 56: 1478-90 (2013) Article DOI: 10.1021/jm3013932 BindingDB Entry DOI: 10.7270/Q2W09774
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50426159 (CHEMBL2311590) Show SMILES CCCCCCC1=Cc2cc(=C(C)NNC(N)=S)c(=O)oc2=CC1=O |w:11.11,c:22,t:6| Show InChI InChI=1S/C18H23N3O3S/c1-3-4-5-6-7-12-8-13-9-14(11(2)20-21-18(19)25)17(23)24-16(13)10-15(12)22/h8-10,20H,3-7H2,1-2H3,(H3,19,21,25)	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	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
MSD Animal Health Innovation GmbH Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged cathepsin K using Cbz-Phe-Arg-AMC as substrate incubated for 30 mins prior to substrate addition by FRET a...				J Med Chem 56: 1478-90 (2013) Article DOI: 10.1021/jm3013932 BindingDB Entry DOI: 10.7270/Q2W09774
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50426139 (CHEMBL1620957) Show SMILES O=C1C2CCN(CC2)C1Cc1ccc(OCCOc2ccccc2)cc1 |TLB:9:8:4.3:6.7,THB:0:1:4.3:6.7,(8.26,7.33,;7.06,6.38,;5.68,7,;4.18,6.34,;4.38,4.93,;5.95,5.6,;6.21,7.54,;5.75,8.67,;7.34,4.95,;8.3,3.74,;7.73,2.31,;8.68,1.1,;8.11,-.33,;6.58,-.55,;6.01,-1.98,;6.96,-3.19,;6.39,-4.62,;7.35,-5.83,;6.77,-7.26,;7.73,-8.47,;7.16,-9.9,;5.63,-10.12,;4.68,-8.91,;5.25,-7.48,;5.63,.66,;6.2,2.09,)| Show InChI InChI=1S/C22H25NO3/c24-22-18-10-12-23(13-11-18)21(22)16-17-6-8-20(9-7-17)26-15-14-25-19-4-2-1-3-5-19/h1-9,18,21H,10-16H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
MSD Animal Health Innovation GmbH Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged cathepsin K using Cbz-Phe-Arg-AMC as substrate incubated for 30 mins prior to substrate addition by FRET a...				J Med Chem 56: 1478-90 (2013) Article DOI: 10.1021/jm3013932 BindingDB Entry DOI: 10.7270/Q2W09774
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50426146 (CHEMBL1419509) Show SMILES CCOC(=O)C(N(C#N)c1nc(OC)nc(n1)N(C)C)C(=O)OCC Show InChI InChI=1S/C14H20N6O5/c1-6-24-10(21)9(11(22)25-7-2)20(8-15)13-16-12(19(3)4)17-14(18-13)23-5/h9H,6-7H2,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
MSD Animal Health Innovation GmbH Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged cathepsin K using Cbz-Phe-Arg-AMC as substrate incubated for 30 mins prior to substrate addition by FRET a...				J Med Chem 56: 1478-90 (2013) Article DOI: 10.1021/jm3013932 BindingDB Entry DOI: 10.7270/Q2W09774
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50426150 (CHEMBL2316593) Show SMILES NC(=S)N\N=C(\CC(c1ccccc1)c1c(O)c2ccccc2oc1=O)c1ccc(cc1)-c1ccc(Br)cc1 Show InChI InChI=1S/C31H24BrN3O3S/c32-23-16-14-20(15-17-23)19-10-12-22(13-11-19)26(34-35-31(33)39)18-25(21-6-2-1-3-7-21)28-29(36)24-8-4-5-9-27(24)38-30(28)37/h1-17,25,36H,18H2,(H3,33,35,39)/b34-26-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
MSD Animal Health Innovation GmbH Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged cathepsin K using Cbz-Phe-Arg-AMC as substrate incubated for 30 mins prior to substrate addition by FRET a...				J Med Chem 56: 1478-90 (2013) Article DOI: 10.1021/jm3013932 BindingDB Entry DOI: 10.7270/Q2W09774
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50426130 (CHEMBL2316305) Show SMILES CCC(=NNC(N)=S)c1ccc(OCc2ccc(cc2)C(=O)OC)c(OC)c1 |w:3.3| Show InChI InChI=1S/C20H23N3O4S/c1-4-16(22-23-20(21)28)15-9-10-17(18(11-15)25-2)27-12-13-5-7-14(8-6-13)19(24)26-3/h5-11H,4,12H2,1-3H3,(H3,21,23,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
MSD Animal Health Innovation GmbH Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged cathepsin K using Cbz-Phe-Arg-AMC as substrate incubated for 30 mins prior to substrate addition by FRET a...				J Med Chem 56: 1478-90 (2013) Article DOI: 10.1021/jm3013932 BindingDB Entry DOI: 10.7270/Q2W09774
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50426143 (CHEMBL2316598) Show SMILES CC(=NNC(N)=S)[C@]1(C)C[C@]2(CC(C)(C)OC2=O)C(=O)O1 |r,w:2.2| Show InChI InChI=1S/C13H19N3O4S/c1-7(15-16-10(14)21)12(4)6-13(9(18)20-12)5-11(2,3)19-8(13)17/h5-6H2,1-4H3,(H3,14,16,21)/t12-,13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
MSD Animal Health Innovation GmbH Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged cathepsin K using Cbz-Phe-Arg-AMC as substrate incubated for 30 mins prior to substrate addition by FRET a...				J Med Chem 56: 1478-90 (2013) Article DOI: 10.1021/jm3013932 BindingDB Entry DOI: 10.7270/Q2W09774
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50426136 (2-(1-Cyclododecylethylidene)Hydrazinecarbothioamid...) Show SMILES CC(=NNC(N)=S)C1CCCCCCCCCCC1 |w:2.2| Show InChI InChI=1S/C15H29N3S/c1-13(17-18-15(16)19)14-11-9-7-5-3-2-4-6-8-10-12-14/h14H,2-12H2,1H3,(H3,16,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
MSD Animal Health Innovation GmbH Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged cathepsin K using Cbz-Phe-Arg-AMC as substrate incubated for 30 mins prior to substrate addition by FRET a...				J Med Chem 56: 1478-90 (2013) Article DOI: 10.1021/jm3013932 BindingDB Entry DOI: 10.7270/Q2W09774
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50426128 (CHEMBL2316306) Show SMILES NC(=S)NN=C(CC(C1C=NC2C=CC=CC12)C(O)=O)c1ccccc1 |w:4.3,c:9,12,14| Show InChI InChI=1S/C19H20N4O2S/c20-19(26)23-22-17(12-6-2-1-3-7-12)10-14(18(24)25)15-11-21-16-9-5-4-8-13(15)16/h1-9,11,13-16H,10H2,(H,24,25)(H3,20,23,26)	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	9.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
MSD Animal Health Innovation GmbH Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged cathepsin K using Cbz-Phe-Arg-AMC as substrate incubated for 30 mins prior to substrate addition by FRET a...				J Med Chem 56: 1478-90 (2013) Article DOI: 10.1021/jm3013932 BindingDB Entry DOI: 10.7270/Q2W09774
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50426135 (CHEMBL2316603) Show SMILES CC(=NNC(N)=S)c1ccc(Sc2ccccc2)cc1 |w:2.2| Show InChI InChI=1S/C15H15N3S2/c1-11(17-18-15(16)19)12-7-9-14(10-8-12)20-13-5-3-2-4-6-13/h2-10H,1H3,(H3,16,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.05E+4	n/a	n/a	n/a	n/a	n/a	n/a
MSD Animal Health Innovation GmbH Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged cathepsin K using Cbz-Phe-Arg-AMC as substrate incubated for 30 mins prior to substrate addition by FRET a...				J Med Chem 56: 1478-90 (2013) Article DOI: 10.1021/jm3013932 BindingDB Entry DOI: 10.7270/Q2W09774
					More data for this Ligand-Target Pair
Thioredoxin reductase (Mycobacterium tuberculosis)	BDBM50435857 (CHEMBL2393579) Show SMILES COc1ccc2nc(C)cc(Nc3ccc(O)cc3)c2c1 Show InChI InChI=1S/C17H16N2O2/c1-11-9-17(19-12-3-5-13(20)6-4-12)15-10-14(21-2)7-8-16(15)18-11/h3-10,20H,1-2H3,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
MSD Animal Health Innovation GmbH Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis TrxR after 10 mins by microplate reader analysis				J Med Chem 56: 4849-59 (2013) Article DOI: 10.1021/jm3015734 BindingDB Entry DOI: 10.7270/Q21C1Z88
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50426133 (CHEMBL2316605) Show SMILES CCOc1ccc(NC23SCC(=O)C2CCc2ccccc32)cc1 Show InChI InChI=1S/C20H21NO2S/c1-2-23-16-10-8-15(9-11-16)21-20-17-6-4-3-5-14(17)7-12-18(20)19(22)13-24-20/h3-6,8-11,18,21H,2,7,12-13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.33E+4	n/a	n/a	n/a	n/a	n/a	n/a
MSD Animal Health Innovation GmbH Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged cathepsin K using Cbz-Phe-Arg-AMC as substrate incubated for 30 mins prior to substrate addition by FRET a...				J Med Chem 56: 1478-90 (2013) Article DOI: 10.1021/jm3013932 BindingDB Entry DOI: 10.7270/Q2W09774
					More data for this Ligand-Target Pair
Thioredoxin reductase (Mycobacterium tuberculosis)	BDBM50435854 (CHEMBL2393583) Show SMILES CC(N1CCC(CCC(=O)Nc2ccccc2)CC1)c1c[nH]nc1-c1ccccc1 Show InChI InChI=1S/C25H30N4O/c1-19(23-18-26-28-25(23)21-8-4-2-5-9-21)29-16-14-20(15-17-29)12-13-24(30)27-22-10-6-3-7-11-22/h2-11,18-20H,12-17H2,1H3,(H,26,28)(H,27,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
MSD Animal Health Innovation GmbH Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis TrxR after 10 mins by microplate reader analysis				J Med Chem 56: 4849-59 (2013) Article DOI: 10.1021/jm3015734 BindingDB Entry DOI: 10.7270/Q21C1Z88
					More data for this Ligand-Target Pair
Thioredoxin reductase (Mycobacterium tuberculosis)	BDBM50435849 (CHEMBL2391046) Show SMILES Fc1cccc(Cl)c1CNc1ccc(cc1)N1CCCCC1 Show InChI InChI=1S/C18H20ClFN2/c19-17-5-4-6-18(20)16(17)13-21-14-7-9-15(10-8-14)22-11-2-1-3-12-22/h4-10,21H,1-3,11-13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.53E+4	n/a	n/a	n/a	n/a	n/a	n/a
MSD Animal Health Innovation GmbH Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis TrxR after 10 mins by microplate reader analysis				J Med Chem 56: 4849-59 (2013) Article DOI: 10.1021/jm3015734 BindingDB Entry DOI: 10.7270/Q21C1Z88
					More data for this Ligand-Target Pair
Thioredoxin reductase (Mycobacterium tuberculosis)	BDBM50435850 (CHEMBL2391045) Show SMILES C(Nc1ccc(cc1)N1CCCCC1)c1nc2ccccc2s1 Show InChI InChI=1S/C19H21N3S/c1-4-12-22(13-5-1)16-10-8-15(9-11-16)20-14-19-21-17-6-2-3-7-18(17)23-19/h2-3,6-11,20H,1,4-5,12-14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.58E+4	n/a	n/a	n/a	n/a	n/a	n/a
MSD Animal Health Innovation GmbH Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis TrxR after 10 mins by microplate reader analysis				J Med Chem 56: 4849-59 (2013) Article DOI: 10.1021/jm3015734 BindingDB Entry DOI: 10.7270/Q21C1Z88
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50426125 (CHEMBL2316309) Show SMILES [O-][N+](=O)c1ccc(cc1)N1CCN(C\C=C\S(=O)(=O)c2ccccc2)CC1 Show InChI InChI=1S/C19H21N3O4S/c23-22(24)18-9-7-17(8-10-18)21-14-12-20(13-15-21)11-4-16-27(25,26)19-5-2-1-3-6-19/h1-10,16H,11-15H2/b16-4+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.81E+4	n/a	n/a	n/a	n/a	n/a	n/a
MSD Animal Health Innovation GmbH Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged cathepsin K using Cbz-Phe-Arg-AMC as substrate incubated for 30 mins prior to substrate addition by FRET a...				J Med Chem 56: 1478-90 (2013) Article DOI: 10.1021/jm3013932 BindingDB Entry DOI: 10.7270/Q2W09774
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50426161 (CHEMBL2316610) Show SMILES Cc1ccc(cc1)S(=O)(=O)C\C=C\S(=O)(=O)c1ccc(C)cc1 Show InChI InChI=1S/C17H18O4S2/c1-14-4-8-16(9-5-14)22(18,19)12-3-13-23(20,21)17-10-6-15(2)7-11-17/h3-12H,13H2,1-2H3/b12-3+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.93E+4	n/a	n/a	n/a	n/a	n/a	n/a
MSD Animal Health Innovation GmbH Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged cathepsin K using Cbz-Phe-Arg-AMC as substrate incubated for 30 mins prior to substrate addition by FRET a...				J Med Chem 56: 1478-90 (2013) Article DOI: 10.1021/jm3013932 BindingDB Entry DOI: 10.7270/Q2W09774
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50426164 (CHEMBL2316608) Show SMILES CC(C)Nc1nc(nc(n1)N(CCOc1ccccc1)C#N)N(C)C Show InChI InChI=1S/C17H23N7O/c1-13(2)19-15-20-16(23(3)4)22-17(21-15)24(12-18)10-11-25-14-8-6-5-7-9-14/h5-9,13H,10-11H2,1-4H3,(H,19,20,21,22)	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	1.96E+4	n/a	n/a	n/a	n/a	n/a	n/a
MSD Animal Health Innovation GmbH Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged cathepsin K using Cbz-Phe-Arg-AMC as substrate incubated for 30 mins prior to substrate addition by FRET a...				J Med Chem 56: 1478-90 (2013) Article DOI: 10.1021/jm3013932 BindingDB Entry DOI: 10.7270/Q2W09774
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50426158 (CHEMBL2316612) Show SMILES Clc1ccc(SCC2N3CCC(CC3)C2=O)cc1 |(32.66,-50.27,;31.33,-49.5,;29.99,-50.27,;28.66,-49.5,;28.66,-47.96,;27.33,-47.19,;26,-47.96,;24.66,-47.19,;23.34,-47.95,;22.01,-47.19,;22.01,-45.65,;23.34,-44.87,;23.75,-45.88,;22.88,-46.7,;24.66,-45.65,;26,-44.88,;29.99,-47.19,;31.32,-47.95,)| Show InChI InChI=1S/C14H16ClNOS/c15-11-1-3-12(4-2-11)18-9-13-14(17)10-5-7-16(13)8-6-10/h1-4,10,13H,5-9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.13E+4	n/a	n/a	n/a	n/a	n/a	n/a
MSD Animal Health Innovation GmbH Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged cathepsin K using Cbz-Phe-Arg-AMC as substrate incubated for 30 mins prior to substrate addition by FRET a...				J Med Chem 56: 1478-90 (2013) Article DOI: 10.1021/jm3013932 BindingDB Entry DOI: 10.7270/Q2W09774
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50426123 (CHEMBL2316311) Show SMILES CCCCS(=O)(=O)\C=C\C1C2CC(C=C2)C1S(=O)(=O)CCCC |c:13| Show InChI InChI=1S/C17H28O4S2/c1-3-5-10-22(18,19)12-9-16-14-7-8-15(13-14)17(16)23(20,21)11-6-4-2/h7-9,12,14-17H,3-6,10-11,13H2,1-2H3/b12-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.14E+4	n/a	n/a	n/a	n/a	n/a	n/a
MSD Animal Health Innovation GmbH Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged cathepsin K using Cbz-Phe-Arg-AMC as substrate incubated for 30 mins prior to substrate addition by FRET a...				J Med Chem 56: 1478-90 (2013) Article DOI: 10.1021/jm3013932 BindingDB Entry DOI: 10.7270/Q2W09774
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50426124 (CHEMBL2316310) Show SMILES FC(F)(F)c1ccc(\C=C\S(=O)(=O)c2ccc(cc2)-c2csc(n2)-c2ccccc2)cc1 Show InChI InChI=1S/C24H16F3NO2S2/c25-24(26,27)20-10-6-17(7-11-20)14-15-32(29,30)21-12-8-18(9-13-21)22-16-31-23(28-22)19-4-2-1-3-5-19/h1-16H/b15-14+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
MSD Animal Health Innovation GmbH Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged cathepsin K using Cbz-Phe-Arg-AMC as substrate incubated for 30 mins prior to substrate addition by FRET a...				J Med Chem 56: 1478-90 (2013) Article DOI: 10.1021/jm3013932 BindingDB Entry DOI: 10.7270/Q2W09774
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50426126 (CHEMBL2316308) Show SMILES C[N+]12CCC(CC1)C(=O)[C@@H]2COc1ccccc1 |r| Show InChI InChI=1S/C15H20NO2/c1-16-9-7-12(8-10-16)15(17)14(16)11-18-13-5-3-2-4-6-13/h2-6,12,14H,7-11H2,1H3/q+1/t12?,14-,16?/m0/s1	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	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
MSD Animal Health Innovation GmbH Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged cathepsin K using Cbz-Phe-Arg-AMC as substrate incubated for 30 mins prior to substrate addition by FRET a...				J Med Chem 56: 1478-90 (2013) Article DOI: 10.1021/jm3013932 BindingDB Entry DOI: 10.7270/Q2W09774
					More data for this Ligand-Target Pair
Thioredoxin reductase (Mycobacterium tuberculosis)	BDBM50435855 (CHEMBL2393581) Show SMILES OC(=O)[C@H](Cc1cc2ccccc2[nH]1)NCc1c[nH]c2ccccc12 |r| Show InChI InChI=1S/C20H19N3O2/c24-20(25)19(10-15-9-13-5-1-3-7-17(13)23-15)22-12-14-11-21-18-8-4-2-6-16(14)18/h1-9,11,19,21-23H,10,12H2,(H,24,25)/t19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
MSD Animal Health Innovation GmbH Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis TrxR after 10 mins by microplate reader analysis				J Med Chem 56: 4849-59 (2013) Article DOI: 10.1021/jm3015734 BindingDB Entry DOI: 10.7270/Q21C1Z88
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50426165 (CHEMBL1432431) Show SMILES Cc1cc(C)nc(n1)N(CC(=O)Nc1ccccc1)C#N Show InChI InChI=1S/C15H15N5O/c1-11-8-12(2)18-15(17-11)20(10-16)9-14(21)19-13-6-4-3-5-7-13/h3-8H,9H2,1-2H3,(H,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
MSD Animal Health Innovation GmbH Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged cathepsin K using Cbz-Phe-Arg-AMC as substrate incubated for 30 mins prior to substrate addition by FRET a...				J Med Chem 56: 1478-90 (2013) Article DOI: 10.1021/jm3013932 BindingDB Entry DOI: 10.7270/Q2W09774
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50426163 (CHEMBL1319029) Show SMILES COc1ccc(CN(C#N)c2nc(SC)nc(n2)N(C)C)cc1 Show InChI InChI=1S/C15H18N6OS/c1-20(2)13-17-14(19-15(18-13)23-4)21(10-16)9-11-5-7-12(22-3)8-6-11/h5-8H,9H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
MSD Animal Health Innovation GmbH Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged cathepsin K using Cbz-Phe-Arg-AMC as substrate incubated for 30 mins prior to substrate addition by FRET a...				J Med Chem 56: 1478-90 (2013) Article DOI: 10.1021/jm3013932 BindingDB Entry DOI: 10.7270/Q2W09774
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50426129 (CHEMBL1504792) Show SMILES Oc1c(C[C@H]2N3CCC(CC3)C2=O)ccc2ccccc12 |wU:4.3,TLB:3:4:6.7:10.9,THB:12:11:6.7:10.9,(.52,.35,;-.81,1.12,;-2.15,.35,;-2.15,-1.19,;-3.48,-1.96,;-4.32,-3.25,;-3.88,-4.9,;-5.31,-4.89,;-5.74,-3.31,;-7.39,-3,;-6.2,-2.71,;-4.93,-2.04,;-5.71,-.71,;-3.48,1.12,;-3.48,2.66,;-2.15,3.43,;-2.15,4.97,;-.81,5.74,;.52,4.97,;.52,3.43,;-.81,2.66,)| Show InChI InChI=1S/C18H19NO2/c20-17-14(6-5-12-3-1-2-4-15(12)17)11-16-18(21)13-7-9-19(16)10-8-13/h1-6,13,16,20H,7-11H2/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
MSD Animal Health Innovation GmbH Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged cathepsin K using Cbz-Phe-Arg-AMC as substrate incubated for 30 mins prior to substrate addition by FRET a...				J Med Chem 56: 1478-90 (2013) Article DOI: 10.1021/jm3013932 BindingDB Entry DOI: 10.7270/Q2W09774
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50426131 (CHEMBL2316607) Show SMILES CCOC(=O)CN(C#N)c1nc(nc(n1)N1CCCCC1)N1CCCCC1 Show InChI InChI=1S/C18H27N7O2/c1-2-27-15(26)13-25(14-19)18-21-16(23-9-5-3-6-10-23)20-17(22-18)24-11-7-4-8-12-24/h2-13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
MSD Animal Health Innovation GmbH Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged cathepsin K using Cbz-Phe-Arg-AMC as substrate incubated for 30 mins prior to substrate addition by FRET a...				J Med Chem 56: 1478-90 (2013) Article DOI: 10.1021/jm3013932 BindingDB Entry DOI: 10.7270/Q2W09774
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50426134 (CHEMBL2316604) Show SMILES CCOC(=O)C1CCN(Cc2ccccc2)CC1=O Show InChI InChI=1S/C15H19NO3/c1-2-19-15(18)13-8-9-16(11-14(13)17)10-12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
MSD Animal Health Innovation GmbH Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged cathepsin K using Cbz-Phe-Arg-AMC as substrate incubated for 30 mins prior to substrate addition by FRET a...				J Med Chem 56: 1478-90 (2013) Article DOI: 10.1021/jm3013932 BindingDB Entry DOI: 10.7270/Q2W09774
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50426137 (CHEMBL2316601 | Diethyl 2-(2-Carbamothioylhydrazon...) Show SMILES CCOC(=O)CC(=NNC(N)=S)C(=O)OCC |w:7.7| Show InChI InChI=1S/C9H15N3O4S/c1-3-15-7(13)5-6(8(14)16-4-2)11-12-9(10)17/h3-5H2,1-2H3,(H3,10,12,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
MSD Animal Health Innovation GmbH Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged cathepsin K using Cbz-Phe-Arg-AMC as substrate incubated for 30 mins prior to substrate addition by FRET a...				J Med Chem 56: 1478-90 (2013) Article DOI: 10.1021/jm3013932 BindingDB Entry DOI: 10.7270/Q2W09774
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50426140 (CHEMBL1869247) Show SMILES O=C(CSc1nc2ccccc2o1)NC1(CCCCC1)C#N Show InChI InChI=1S/C16H17N3O2S/c17-11-16(8-4-1-5-9-16)19-14(20)10-22-15-18-12-6-2-3-7-13(12)21-15/h2-3,6-7H,1,4-5,8-10H2,(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
MSD Animal Health Innovation GmbH Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged cathepsin K using Cbz-Phe-Arg-AMC as substrate incubated for 30 mins prior to substrate addition by FRET a...				J Med Chem 56: 1478-90 (2013) Article DOI: 10.1021/jm3013932 BindingDB Entry DOI: 10.7270/Q2W09774
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50426141 (CHEMBL2316599) Show SMILES NC(=S)NN=C(Cc1nc2ccccc2[nH]1)c1ccccc1 |w:4.3| Show InChI InChI=1S/C16H15N5S/c17-16(22)21-20-14(11-6-2-1-3-7-11)10-15-18-12-8-4-5-9-13(12)19-15/h1-9H,10H2,(H,18,19)(H3,17,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
MSD Animal Health Innovation GmbH Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged cathepsin K using Cbz-Phe-Arg-AMC as substrate incubated for 30 mins prior to substrate addition by FRET a...				J Med Chem 56: 1478-90 (2013) Article DOI: 10.1021/jm3013932 BindingDB Entry DOI: 10.7270/Q2W09774
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50426142 (CHEMBL1341853) Show SMILES [#7]-[#6](=S)-[#7]\[#7]=[#6](\[#6]-c1ccccc1)-[#6]-c1ccccc1 Show InChI InChI=1S/C16H17N3S/c17-16(20)19-18-15(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H3,17,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
MSD Animal Health Innovation GmbH Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged cathepsin K using Cbz-Phe-Arg-AMC as substrate incubated for 30 mins prior to substrate addition by FRET a...				J Med Chem 56: 1478-90 (2013) Article DOI: 10.1021/jm3013932 BindingDB Entry DOI: 10.7270/Q2W09774
					More data for this Ligand-Target Pair

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