Compile Data Set for Download or QSAR

Found 259 hits with Last Name = 'adkison' and Initial = 'kk'   

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
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50030474 (Avandamet | Avandaryl | Avandia | BRL-49653 | CHEB...) Show SMILES CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1 Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,15H,10-12H2,1H3,(H,20,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	DrugBank PDB PubMed	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description Binding affinity against Peroxisome proliferator activated receptor gamma (PPAR gamma)				Bioorg Med Chem Lett 9: 3329-34 (2000) BindingDB Entry DOI: 10.7270/Q2FN15FG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50083625 (CHEMBL320553 | {3-[2-(4-Methoxy-phenyl)-ethyl]-2-p...) Show SMILES COc1ccc(CCc2c([nH]c3ccc(CC(O)=O)cc23)-c2ccccc2)cc1 Show InChI InChI=1S/C25H23NO3/c1-29-20-11-7-17(8-12-20)9-13-21-22-15-18(16-24(27)28)10-14-23(22)26-25(21)19-5-3-2-4-6-19/h2-8,10-12,14-15,26H,9,13,16H2,1H3,(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description Binding affinity against Peroxisome proliferator activated receptor gamma (PPAR gamma)				Bioorg Med Chem Lett 9: 3329-34 (2000) BindingDB Entry DOI: 10.7270/Q2FN15FG
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50083625 (CHEMBL320553 | {3-[2-(4-Methoxy-phenyl)-ethyl]-2-p...) Show SMILES COc1ccc(CCc2c([nH]c3ccc(CC(O)=O)cc23)-c2ccccc2)cc1 Show InChI InChI=1S/C25H23NO3/c1-29-20-11-7-17(8-12-20)9-13-21-22-15-18(16-24(27)28)10-14-23(22)26-25(21)19-5-3-2-4-6-19/h2-8,10-12,14-15,26H,9,13,16H2,1H3,(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description Binding affinity against human Peroxisome proliferator activated receptor gamma (PPAR gamma)				Bioorg Med Chem Lett 9: 3329-34 (2000) BindingDB Entry DOI: 10.7270/Q2FN15FG
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50217324 (CHEMBL331798) Show SMILES OC(=O)Cc1ccc2[nH]c(c(CCc3ccccc3)c2c1)-c1ccccc1 Show InChI InChI=1S/C24H21NO2/c26-23(27)16-18-12-14-22-21(15-18)20(13-11-17-7-3-1-4-8-17)24(25-22)19-9-5-2-6-10-19/h1-10,12,14-15,25H,11,13,16H2,(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	148	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description Binding affinity against Peroxisome proliferator activated receptor gamma (PPAR gamma)				Bioorg Med Chem Lett 9: 3329-34 (2000) BindingDB Entry DOI: 10.7270/Q2FN15FG
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50217325 (CHEMBL275682) Show SMILES Cn1c(c(CCc2ccccc2)c2cc(OCC(O)=O)ccc12)-c1ccccc1 Show InChI InChI=1S/C25H23NO3/c1-26-23-15-13-20(29-17-24(27)28)16-22(23)21(14-12-18-8-4-2-5-9-18)25(26)19-10-6-3-7-11-19/h2-11,13,15-16H,12,14,17H2,1H3,(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	214	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description Binding affinity against Peroxisome proliferator activated receptor gamma (PPAR gamma)				Bioorg Med Chem Lett 9: 3329-34 (2000) BindingDB Entry DOI: 10.7270/Q2FN15FG
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50088494 (BDBM50101974 | CHEMBL3542292 | CI-991 | CS-045 | G...) Show SMILES Cc1c(C)c2OC(C)(COc3ccc(CC4SC(=O)NC4=O)cc3)CCc2c(C)c1O Show InChI InChI=1S/C24H27NO5S/c1-13-14(2)21-18(15(3)20(13)26)9-10-24(4,30-21)12-29-17-7-5-16(6-8-17)11-19-22(27)25-23(28)31-19/h5-8,19,26H,9-12H2,1-4H3,(H,25,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB PubMed	302	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description Binding affinity against Peroxisome proliferator activated receptor gamma (PPAR gamma)				Bioorg Med Chem Lett 9: 3329-34 (2000) BindingDB Entry DOI: 10.7270/Q2FN15FG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50002595 (Solabegron) Show SMILES O[C@@H](CNCCNc1cccc(c1)-c1cccc(c1)C(O)=O)c1cccc(Cl)c1 Show InChI InChI=1S/C23H23ClN2O3/c24-20-8-2-6-18(13-20)22(27)15-25-10-11-26-21-9-3-5-17(14-21)16-4-1-7-19(12-16)23(28)29/h1-9,12-14,22,25-27H,10-11,15H2,(H,28,29)/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [125I]cyanopindolol from human cloned beta-1 adrenergic receptor expressed in Sf9 cells				J Med Chem 49: 2758-71 (2006) Checked by Author Article DOI: 10.1021/jm0509445 BindingDB Entry DOI: 10.7270/Q2KD20D5
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50217327 (CHEMBL116043) Show SMILES OC(=O)Cc1ccc2[nH]c(c(CCc3ccc(F)cc3)c2c1)-c1ccc(F)cc1 Show InChI InChI=1S/C24H19F2NO2/c25-18-7-1-15(2-8-18)3-11-20-21-13-16(14-23(28)29)4-12-22(21)27-24(20)17-5-9-19(26)10-6-17/h1-2,4-10,12-13,27H,3,11,14H2,(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description Binding affinity against Peroxisome proliferator activated receptor gamma (PPAR gamma)				Bioorg Med Chem Lett 9: 3329-34 (2000) BindingDB Entry DOI: 10.7270/Q2FN15FG
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50217321 (CHEMBL111841) Show SMILES Cn1c(c(CCc2ccccc2)c2cc(CC(O)=O)ccc12)-c1ccccc1 Show InChI InChI=1S/C25H23NO2/c1-26-23-15-13-19(17-24(27)28)16-22(23)21(14-12-18-8-4-2-5-9-18)25(26)20-10-6-3-7-11-20/h2-11,13,15-16H,12,14,17H2,1H3,(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description Binding affinity against Peroxisome proliferator activated receptor gamma (PPAR gamma)				Bioorg Med Chem Lett 9: 3329-34 (2000) BindingDB Entry DOI: 10.7270/Q2FN15FG
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50103521 (Actos | CHEBI:8228 | Duetact | Pioglitazone | US10...) Show SMILES CCc1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1 Show InChI InChI=1S/C19H20N2O3S/c1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17/h3-8,12,17H,2,9-11H2,1H3,(H,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	DrugBank PDB PubMed	1.23E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description Binding affinity against Peroxisome proliferator activated receptor gamma (PPAR gamma)				Bioorg Med Chem Lett 9: 3329-34 (2000) BindingDB Entry DOI: 10.7270/Q2FN15FG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50002595 (Solabegron) Show SMILES O[C@@H](CNCCNc1cccc(c1)-c1cccc(c1)C(O)=O)c1cccc(Cl)c1 Show InChI InChI=1S/C23H23ClN2O3/c24-20-8-2-6-18(13-20)22(27)15-25-10-11-26-21-9-3-5-17(14-21)16-4-1-7-19(12-16)23(28)29/h1-9,12-14,22,25-27H,10-11,15H2,(H,28,29)/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	1.59E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [125I]cyanopindolol from human cloned beta-2 adrenergic receptor expressed in Sf9 cells				J Med Chem 49: 2758-71 (2006) Checked by Author Article DOI: 10.1021/jm0509445 BindingDB Entry DOI: 10.7270/Q2KD20D5
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50217326 (CHEMBL115448) Show SMILES O=C1CSC(=O)N1Cc1ccc2[nH]c(c(CCc3ccccc3)c2c1)-c1ccccc1 Show InChI InChI=1S/C26H22N2O2S/c29-24-17-31-26(30)28(24)16-19-12-14-23-22(15-19)21(13-11-18-7-3-1-4-8-18)25(27-23)20-9-5-2-6-10-20/h1-10,12,14-15,27H,11,13,16-17H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.91E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description Binding affinity against Peroxisome proliferator activated receptor gamma (PPAR gamma)				Bioorg Med Chem Lett 9: 3329-34 (2000) BindingDB Entry DOI: 10.7270/Q2FN15FG
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50217329 (CHEMBL420314) Show SMILES CCCc1c([nH]c2ccc(cc12)C(O)=O)-c1ccccc1 Show InChI InChI=1S/C18H17NO2/c1-2-6-14-15-11-13(18(20)21)9-10-16(15)19-17(14)12-7-4-3-5-8-12/h3-5,7-11,19H,2,6H2,1H3,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.72E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description Binding affinity against Peroxisome proliferator activated receptor gamma (PPAR gamma)				Bioorg Med Chem Lett 9: 3329-34 (2000) BindingDB Entry DOI: 10.7270/Q2FN15FG
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50217328 (CHEMBL268513) Show SMILES CCCc1c([nH]c2ccc(CC(O)=O)cc12)-c1ccccc1 Show InChI InChI=1S/C19H19NO2/c1-2-6-15-16-11-13(12-18(21)22)9-10-17(16)20-19(15)14-7-4-3-5-8-14/h3-5,7-11,20H,2,6,12H2,1H3,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.89E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description Binding affinity against Peroxisome proliferator activated receptor gamma (PPAR gamma)				Bioorg Med Chem Lett 9: 3329-34 (2000) BindingDB Entry DOI: 10.7270/Q2FN15FG
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50217319 (CHEMBL115137) Show SMILES OC(=O)Cc1ccc2[nH]c(cc2c1)-c1ccccc1 Show InChI InChI=1S/C16H13NO2/c18-16(19)9-11-6-7-14-13(8-11)10-15(17-14)12-4-2-1-3-5-12/h1-8,10,17H,9H2,(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.47E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description Binding affinity against Peroxisome proliferator activated receptor gamma (PPAR gamma)				Bioorg Med Chem Lett 9: 3329-34 (2000) BindingDB Entry DOI: 10.7270/Q2FN15FG
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50217323 (CHEMBL326947) Show SMILES OC(=O)CCc1ccc2[nH]c(c(CCc3ccccc3)c2c1)-c1ccccc1 Show InChI InChI=1S/C25H23NO2/c27-24(28)16-13-19-12-15-23-22(17-19)21(14-11-18-7-3-1-4-8-18)25(26-23)20-9-5-2-6-10-20/h1-10,12,15,17,26H,11,13-14,16H2,(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.24E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description Binding affinity against Peroxisome proliferator activated receptor gamma (PPAR gamma)				Bioorg Med Chem Lett 9: 3329-34 (2000) BindingDB Entry DOI: 10.7270/Q2FN15FG
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50217320 (CHEMBL115310) Show SMILES OC(=O)Cc1ccc2[nH]cc(CCc3ccccc3)c2c1 Show InChI InChI=1S/C18H17NO2/c20-18(21)11-14-7-9-17-16(10-14)15(12-19-17)8-6-13-4-2-1-3-5-13/h1-5,7,9-10,12,19H,6,8,11H2,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description Binding affinity against Peroxisome proliferator activated receptor gamma (PPAR gamma)				Bioorg Med Chem Lett 9: 3329-34 (2000) BindingDB Entry DOI: 10.7270/Q2FN15FG
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50217322 (CHEMBL113587) Show SMILES OC(=O)Cc1ccc2[nH]c(c(-c3ccccc3)c2c1)-c1ccccc1 Show InChI InChI=1S/C22H17NO2/c24-20(25)14-15-11-12-19-18(13-15)21(16-7-3-1-4-8-16)22(23-19)17-9-5-2-6-10-17/h1-13,23H,14H2,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description Inhibitory concentration of the PPAR gamma)				Bioorg Med Chem Lett 9: 3329-34 (2000) BindingDB Entry DOI: 10.7270/Q2FN15FG
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50177501 (CHEMBL203663 | {(S)-1-[(morpholine-4-carbonyl)-hyd...) Show SMILES CCCC[C@H](NC(=O)O[C@H](Cc1ccccc1)C(C)C)C=NNC(=O)N1CCOCC1 |w:21.22| Show InChI InChI=1S/C23H36N4O4/c1-4-5-11-20(17-24-26-22(28)27-12-14-30-15-13-27)25-23(29)31-21(18(2)3)16-19-9-7-6-8-10-19/h6-10,17-18,20-21H,4-5,11-16H2,1-3H3,(H,25,29)(H,26,28)/t20-,21+/m0/s1	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	0.330	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of recombinant human cathepsin K in a fluorescence assay				Bioorg Med Chem Lett 16: 978-83 (2006) Article DOI: 10.1016/j.bmcl.2005.10.108 BindingDB Entry DOI: 10.7270/Q2X929VS
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50148292 (((S)-1-Formyl-pentyl)-carbamic acid 1-benzyl-cyclo...) Show SMILES CCCC[C@H](NC(=O)OC1(Cc2ccccc2)CCCC1)C=O Show InChI InChI=1S/C19H27NO3/c1-2-3-11-17(15-21)20-18(22)23-19(12-7-8-13-19)14-16-9-5-4-6-10-16/h4-6,9-10,15,17H,2-3,7-8,11-14H2,1H3,(H,20,22)/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	0.350	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of recombinant human cathepsin K in a fluorescence assay				Bioorg Med Chem Lett 16: 978-83 (2006) Article DOI: 10.1016/j.bmcl.2005.10.108 BindingDB Entry DOI: 10.7270/Q2X929VS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cathepsin K (Homo sapiens (Human))	BDBM50148298 (((S)-1-Formyl-pentyl)-carbamic acid (R)-1-benzyl-2...) Show SMILES CCCC[C@H](NC(=O)O[C@H](Cc1ccccc1)C(C)C)C=O Show InChI InChI=1S/C18H27NO3/c1-4-5-11-16(13-20)19-18(21)22-17(14(2)3)12-15-9-7-6-8-10-15/h6-10,13-14,16-17H,4-5,11-12H2,1-3H3,(H,19,21)/t16-,17+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of recombinant human cathepsin K in a fluorescence assay				Bioorg Med Chem Lett 16: 978-83 (2006) Article DOI: 10.1016/j.bmcl.2005.10.108 BindingDB Entry DOI: 10.7270/Q2X929VS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cathepsin K (Homo sapiens (Human))	BDBM50177494 (CHEMBL204605 | {(S)-1-[(morpholine-4-carbonyl)-hyd...) Show SMILES CCCC[C@H](NC(=O)O[C@@H](C)Cc1ccccc1)C=NNC(=O)N1CCOCC1 |w:19.20| Show InChI InChI=1S/C21H32N4O4/c1-3-4-10-19(16-22-24-20(26)25-11-13-28-14-12-25)23-21(27)29-17(2)15-18-8-6-5-7-9-18/h5-9,16-17,19H,3-4,10-15H2,1-2H3,(H,23,27)(H,24,26)/t17-,19-/m0/s1	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	0.940	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of recombinant human cathepsin K in a fluorescence assay				Bioorg Med Chem Lett 16: 978-83 (2006) Article DOI: 10.1016/j.bmcl.2005.10.108 BindingDB Entry DOI: 10.7270/Q2X929VS
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50177503 (CHEMBL426308 | {(S)-1-[(2,3-dihydro-indole-1-carbo...) Show SMILES CCCC[C@H](NC(=O)OC1(Cc2ccccc2)CCCC1)C=NN=C(O)N1CCc2ccccc12 |w:23.24| Show InChI InChI=1S/C28H36N4O3/c1-2-3-14-24(21-29-31-26(33)32-19-16-23-13-7-8-15-25(23)32)30-27(34)35-28(17-9-10-18-28)20-22-11-5-4-6-12-22/h4-8,11-13,15,21,24H,2-3,9-10,14,16-20H2,1H3,(H,30,34)(H,31,33)/t24-/m0/s1	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	1.10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of recombinant human cathepsin K in a fluorescence assay				Bioorg Med Chem Lett 16: 978-83 (2006) Article DOI: 10.1016/j.bmcl.2005.10.108 BindingDB Entry DOI: 10.7270/Q2X929VS
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50148296 (((S)-1-Formyl-pentyl)-carbamic acid (S)-1-methyl-2...) Show SMILES CCCC[C@H](NC(=O)O[C@@H](C)Cc1ccccc1)C=O Show InChI InChI=1S/C16H23NO3/c1-3-4-10-15(12-18)17-16(19)20-13(2)11-14-8-6-5-7-9-14/h5-9,12-13,15H,3-4,10-11H2,1-2H3,(H,17,19)/t13-,15-/m0/s1	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	1.80	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of recombinant human cathepsin K in a fluorescence assay				Bioorg Med Chem Lett 16: 978-83 (2006) Article DOI: 10.1016/j.bmcl.2005.10.108 BindingDB Entry DOI: 10.7270/Q2X929VS
					More data for this Ligand-Target Pair				3D Structure (docked)
Procathepsin L (Homo sapiens (Human))	BDBM50148298 (((S)-1-Formyl-pentyl)-carbamic acid (R)-1-benzyl-2...) Show SMILES CCCC[C@H](NC(=O)O[C@H](Cc1ccccc1)C(C)C)C=O Show InChI InChI=1S/C18H27NO3/c1-4-5-11-16(13-20)19-18(21)22-17(14(2)3)12-15-9-7-6-8-10-15/h6-10,13-14,16-17H,4-5,11-12H2,1-3H3,(H,19,21)/t16-,17+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of recombinant human cathepsin L in a fluorescence assay				Bioorg Med Chem Lett 16: 978-83 (2006) Article DOI: 10.1016/j.bmcl.2005.10.108 BindingDB Entry DOI: 10.7270/Q2X929VS
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50177501 (CHEMBL203663 | {(S)-1-[(morpholine-4-carbonyl)-hyd...) Show SMILES CCCC[C@H](NC(=O)O[C@H](Cc1ccccc1)C(C)C)C=NNC(=O)N1CCOCC1 |w:21.22| Show InChI InChI=1S/C23H36N4O4/c1-4-5-11-20(17-24-26-22(28)27-12-14-30-15-13-27)25-23(29)31-21(18(2)3)16-19-9-7-6-8-10-19/h6-10,17-18,20-21H,4-5,11-16H2,1-3H3,(H,25,29)(H,26,28)/t20-,21+/m0/s1	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	12	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of recombinant human cathepsin L in a fluorescence assay				Bioorg Med Chem Lett 16: 978-83 (2006) Article DOI: 10.1016/j.bmcl.2005.10.108 BindingDB Entry DOI: 10.7270/Q2X929VS
					More data for this Ligand-Target Pair
Pro-cathepsin H (Homo sapiens (Human))	BDBM50148298 (((S)-1-Formyl-pentyl)-carbamic acid (R)-1-benzyl-2...) Show SMILES CCCC[C@H](NC(=O)O[C@H](Cc1ccccc1)C(C)C)C=O Show InChI InChI=1S/C18H27NO3/c1-4-5-11-16(13-20)19-18(21)22-17(14(2)3)12-15-9-7-6-8-10-15/h6-10,13-14,16-17H,4-5,11-12H2,1-3H3,(H,19,21)/t16-,17+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of recombinant human cathepsin H in a fluorescence assay				Bioorg Med Chem Lett 16: 978-83 (2006) Article DOI: 10.1016/j.bmcl.2005.10.108 BindingDB Entry DOI: 10.7270/Q2X929VS
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50177501 (CHEMBL203663 | {(S)-1-[(morpholine-4-carbonyl)-hyd...) Show SMILES CCCC[C@H](NC(=O)O[C@H](Cc1ccccc1)C(C)C)C=NNC(=O)N1CCOCC1 |w:21.22| Show InChI InChI=1S/C23H36N4O4/c1-4-5-11-20(17-24-26-22(28)27-12-14-30-15-13-27)25-23(29)31-21(18(2)3)16-19-9-7-6-8-10-19/h6-10,17-18,20-21H,4-5,11-16H2,1-3H3,(H,25,29)(H,26,28)/t20-,21+/m0/s1	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	18	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of recombinant human cathepsin B in a fluorescence assay				Bioorg Med Chem Lett 16: 978-83 (2006) Article DOI: 10.1016/j.bmcl.2005.10.108 BindingDB Entry DOI: 10.7270/Q2X929VS
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50177512 (CHEMBL438798 | {(S)-1-[(2,2,2-trifluoro-acetyl)-hy...) Show SMILES CCCC[C@H](NC(=O)OC(C)(C)C)C=NNC(=O)C(F)(F)F |w:14.14| Show InChI InChI=1S/C13H22F3N3O3/c1-5-6-7-9(18-11(21)22-12(2,3)4)8-17-19-10(20)13(14,15)16/h8-9H,5-7H2,1-4H3,(H,18,21)(H,19,20)/t9-/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	24	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of recombinant human cathepsin K in a fluorescence assay				Bioorg Med Chem Lett 16: 978-83 (2006) Article DOI: 10.1016/j.bmcl.2005.10.108 BindingDB Entry DOI: 10.7270/Q2X929VS
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50148298 (((S)-1-Formyl-pentyl)-carbamic acid (R)-1-benzyl-2...) Show SMILES CCCC[C@H](NC(=O)O[C@H](Cc1ccccc1)C(C)C)C=O Show InChI InChI=1S/C18H27NO3/c1-4-5-11-16(13-20)19-18(21)22-17(14(2)3)12-15-9-7-6-8-10-15/h6-10,13-14,16-17H,4-5,11-12H2,1-3H3,(H,19,21)/t16-,17+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of recombinant human cathepsin B in a fluorescence assay				Bioorg Med Chem Lett 16: 978-83 (2006) Article DOI: 10.1016/j.bmcl.2005.10.108 BindingDB Entry DOI: 10.7270/Q2X929VS
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50137822 (((S)-1-Formyl-3-methyl-butyl)-carbamic acid tert-b...) Show SMILES CC(C)C[C@H](NC(=O)OC(C)(C)C)C=O Show InChI InChI=1S/C11H21NO3/c1-8(2)6-9(7-13)12-10(14)15-11(3,4)5/h7-9H,6H2,1-5H3,(H,12,14)/t9-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of recombinant human cathepsin K in a fluorescence assay				Bioorg Med Chem Lett 16: 978-83 (2006) Article DOI: 10.1016/j.bmcl.2005.10.108 BindingDB Entry DOI: 10.7270/Q2X929VS
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50177491 (CHEMBL205173 | {(S)-1-[(morpholine-4-carbonyl)-hyd...) Show SMILES CCCC[C@H](NC(=O)OC(C)(C)C)C=NNC(=O)N1CCOCC1 |w:14.14| Show InChI InChI=1S/C16H30N4O4/c1-5-6-7-13(18-15(22)24-16(2,3)4)12-17-19-14(21)20-8-10-23-11-9-20/h12-13H,5-11H2,1-4H3,(H,18,22)(H,19,21)/t13-/m0/s1	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	35	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of recombinant human cathepsin K in a fluorescence assay				Bioorg Med Chem Lett 16: 978-83 (2006) Article DOI: 10.1016/j.bmcl.2005.10.108 BindingDB Entry DOI: 10.7270/Q2X929VS
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50177489 (CHEMBL204103 | {(S)-1-[(pyrrolidine-1-carbonyl)-hy...) Show SMILES CCCC[C@H](NC(=O)OC(C)(C)C)C=NNC(=O)N1CCCC1 |w:14.14| Show InChI InChI=1S/C16H30N4O3/c1-5-6-9-13(18-15(22)23-16(2,3)4)12-17-19-14(21)20-10-7-8-11-20/h12-13H,5-11H2,1-4H3,(H,18,22)(H,19,21)/t13-/m0/s1	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	36	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of recombinant human cathepsin K in a fluorescence assay				Bioorg Med Chem Lett 16: 978-83 (2006) Article DOI: 10.1016/j.bmcl.2005.10.108 BindingDB Entry DOI: 10.7270/Q2X929VS
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50177511 (CHEMBL204102 | tert-butyl N-[(1E,2S)-1-{[(diethylc...) Show SMILES CCCC[C@H](NC(=O)OC(C)(C)C)C=NNC(=O)N(CC)CC |w:14.14| Show InChI InChI=1S/C16H32N4O3/c1-7-10-11-13(18-15(22)23-16(4,5)6)12-17-19-14(21)20(8-2)9-3/h12-13H,7-11H2,1-6H3,(H,18,22)(H,19,21)/t13-/m0/s1	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
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of recombinant human cathepsin K in a fluorescence assay				Bioorg Med Chem Lett 16: 978-83 (2006) Article DOI: 10.1016/j.bmcl.2005.10.108 BindingDB Entry DOI: 10.7270/Q2X929VS
					More data for this Ligand-Target Pair
Pro-cathepsin H (Homo sapiens (Human))	BDBM50148296 (((S)-1-Formyl-pentyl)-carbamic acid (S)-1-methyl-2...) Show SMILES CCCC[C@H](NC(=O)O[C@@H](C)Cc1ccccc1)C=O Show InChI InChI=1S/C16H23NO3/c1-3-4-10-15(12-18)17-16(19)20-13(2)11-14-8-6-5-7-9-14/h5-9,12-13,15H,3-4,10-11H2,1-2H3,(H,17,19)/t13-,15-/m0/s1	PDB MMDB 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
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of recombinant human cathepsin H in a fluorescence assay				Bioorg Med Chem Lett 16: 978-83 (2006) Article DOI: 10.1016/j.bmcl.2005.10.108 BindingDB Entry DOI: 10.7270/Q2X929VS
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50177517 (CHEMBL205062 | tert-butyl N-[(1E,2S)-1-({[methyl(2...) Show SMILES CCCC[C@H](NC(=O)OC(C)(C)C)C=NNC(=O)N(C)CCc1ccccc1 |w:14.14| Show InChI InChI=1S/C21H34N4O3/c1-6-7-13-18(23-20(27)28-21(2,3)4)16-22-24-19(26)25(5)15-14-17-11-9-8-10-12-17/h8-12,16,18H,6-7,13-15H2,1-5H3,(H,23,27)(H,24,26)/t18-/m0/s1	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	45	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of recombinant human cathepsin K in a fluorescence assay				Bioorg Med Chem Lett 16: 978-83 (2006) Article DOI: 10.1016/j.bmcl.2005.10.108 BindingDB Entry DOI: 10.7270/Q2X929VS
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50177495 (CHEMBL381715 | {(S)-1-[(2,3-dihydro-indole-1-carbo...) Show SMILES CCCC[C@H](NC(=O)OC(C)(C)C)C=NN=C(O)N1CCc2ccccc12 |w:15.14| Show InChI InChI=1S/C20H30N4O3/c1-5-6-10-16(22-19(26)27-20(2,3)4)14-21-23-18(25)24-13-12-15-9-7-8-11-17(15)24/h7-9,11,14,16H,5-6,10,12-13H2,1-4H3,(H,22,26)(H,23,25)/t16-/m0/s1	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	48	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of recombinant human cathepsin K in a fluorescence assay				Bioorg Med Chem Lett 16: 978-83 (2006) Article DOI: 10.1016/j.bmcl.2005.10.108 BindingDB Entry DOI: 10.7270/Q2X929VS
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50083625 (CHEMBL320553 | {3-[2-(4-Methoxy-phenyl)-ethyl]-2-p...) Show SMILES COc1ccc(CCc2c([nH]c3ccc(CC(O)=O)cc23)-c2ccccc2)cc1 Show InChI InChI=1S/C25H23NO3/c1-29-20-11-7-17(8-12-20)9-13-21-22-15-18(16-24(27)28)10-14-23(22)26-25(21)19-5-3-2-4-6-19/h2-8,10-12,14-15,26H,9,13,16H2,1H3,(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description Inhibitory concentration of the PPAR gamma)				Bioorg Med Chem Lett 9: 3329-34 (2000) BindingDB Entry DOI: 10.7270/Q2FN15FG
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50137790 (((S)-1-Formyl-pentyl)-carbamic acid tert-butyl est...) Show SMILES CCCC[C@H](NC(=O)OC(C)(C)C)C=O Show InChI InChI=1S/C11H21NO3/c1-5-6-7-9(8-13)12-10(14)15-11(2,3)4/h8-9H,5-7H2,1-4H3,(H,12,14)/t9-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of recombinant human cathepsin K in a fluorescence assay				Bioorg Med Chem Lett 16: 978-83 (2006) Article DOI: 10.1016/j.bmcl.2005.10.108 BindingDB Entry DOI: 10.7270/Q2X929VS
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50177496 (CHEMBL383002 | {(S)-1-[(piperidine-1-carbonyl)-hyd...) Show SMILES CCCC[C@H](NC(=O)OC(C)(C)C)C=NNC(=O)N1CCCCC1 |w:14.14| Show InChI InChI=1S/C17H32N4O3/c1-5-6-10-14(19-16(23)24-17(2,3)4)13-18-20-15(22)21-11-8-7-9-12-21/h13-14H,5-12H2,1-4H3,(H,19,23)(H,20,22)/t14-/m0/s1	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
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of recombinant human cathepsin K in a fluorescence assay				Bioorg Med Chem Lett 16: 978-83 (2006) Article DOI: 10.1016/j.bmcl.2005.10.108 BindingDB Entry DOI: 10.7270/Q2X929VS
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50177506 (CHEMBL204133 | {(S)-1-[(3,4-dihydro-2H-quinoline-1...) Show SMILES CCCC[C@H](NC(=O)OC(C)(C)C)C=NN=C(O)N1CCCc2ccccc12 |w:15.14| Show InChI InChI=1S/C21H32N4O3/c1-5-6-12-17(23-20(27)28-21(2,3)4)15-22-24-19(26)25-14-9-11-16-10-7-8-13-18(16)25/h7-8,10,13,15,17H,5-6,9,11-12,14H2,1-4H3,(H,23,27)(H,24,26)/t17-/m0/s1	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
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of recombinant human cathepsin K in a fluorescence assay				Bioorg Med Chem Lett 16: 978-83 (2006) Article DOI: 10.1016/j.bmcl.2005.10.108 BindingDB Entry DOI: 10.7270/Q2X929VS
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50177521 (CHEMBL203501 | tert-butyl (1S)-1-({[(dimethylamino...) Show SMILES CCCC[C@@H](CN=NS(=O)(=O)N(C)C)NC(=O)OC(C)(C)C |w:6.5| Show InChI InChI=1S/C13H28N4O4S/c1-7-8-9-11(15-12(18)21-13(2,3)4)10-14-16-22(19,20)17(5)6/h11H,7-10H2,1-6H3,(H,15,18)/t11-/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	72	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of recombinant human cathepsin K in a fluorescence assay				Bioorg Med Chem Lett 16: 978-83 (2006) Article DOI: 10.1016/j.bmcl.2005.10.108 BindingDB Entry DOI: 10.7270/Q2X929VS
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50177513 (CHEMBL425042 | tert-butyl (1S)-1-({[(dimethylamino...) Show SMILES CCCC[C@H](NC(=O)OC(C)(C)C)C=NNC(=O)N(C)C |w:14.14| Show InChI InChI=1S/C14H28N4O3/c1-7-8-9-11(10-15-17-12(19)18(5)6)16-13(20)21-14(2,3)4/h10-11H,7-9H2,1-6H3,(H,16,20)(H,17,19)/t11-/m0/s1	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	72	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of recombinant human cathepsin K in a fluorescence assay				Bioorg Med Chem Lett 16: 978-83 (2006) Article DOI: 10.1016/j.bmcl.2005.10.108 BindingDB Entry DOI: 10.7270/Q2X929VS
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50177502 (CHEMBL203766 | {(S)-1-[(3,4-dihydro-1H-isoquinolin...) Show SMILES CCCC[C@H](NC(=O)OC(C)(C)C)C=NNC(=O)N1CCc2ccccc2C1 |w:14.14| Show InChI InChI=1S/C21H32N4O3/c1-5-6-11-18(23-20(27)28-21(2,3)4)14-22-24-19(26)25-13-12-16-9-7-8-10-17(16)15-25/h7-10,14,18H,5-6,11-13,15H2,1-4H3,(H,23,27)(H,24,26)/t18-/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	93	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of recombinant human cathepsin K in a fluorescence assay				Bioorg Med Chem Lett 16: 978-83 (2006) Article DOI: 10.1016/j.bmcl.2005.10.108 BindingDB Entry DOI: 10.7270/Q2X929VS
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50177509 (CHEMBL382947 | {(S)-3-methyl-1-[(morpholine-4-carb...) Show SMILES CC(C)C[C@H](NC(=O)OC(C)(C)C)C=NNC(=O)N1CCOCC1 |w:14.14| Show InChI InChI=1S/C16H30N4O4/c1-12(2)10-13(18-15(22)24-16(3,4)5)11-17-19-14(21)20-6-8-23-9-7-20/h11-13H,6-10H2,1-5H3,(H,18,22)(H,19,21)/t13-/m0/s1	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	110	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of recombinant human cathepsin K in a fluorescence assay				Bioorg Med Chem Lett 16: 978-83 (2006) Article DOI: 10.1016/j.bmcl.2005.10.108 BindingDB Entry DOI: 10.7270/Q2X929VS
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50177516 (CHEMBL380636 | N'-[(S)-2-tert-butoxycarbonylamino-...) Show SMILES CCCC[C@H](NC(=O)OC(C)(C)C)C=NNC(=O)OC(C)C |w:14.14| Show InChI InChI=1S/C15H29N3O4/c1-7-8-9-12(17-13(19)22-15(4,5)6)10-16-18-14(20)21-11(2)3/h10-12H,7-9H2,1-6H3,(H,17,19)(H,18,20)/t12-/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	130	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of recombinant human cathepsin K in a fluorescence assay				Bioorg Med Chem Lett 16: 978-83 (2006) Article DOI: 10.1016/j.bmcl.2005.10.108 BindingDB Entry DOI: 10.7270/Q2X929VS
					More data for this Ligand-Target Pair
Cathepsin K (Rattus norvegicus)	BDBM50177494 (CHEMBL204605 | {(S)-1-[(morpholine-4-carbonyl)-hyd...) Show SMILES CCCC[C@H](NC(=O)O[C@@H](C)Cc1ccccc1)C=NNC(=O)N1CCOCC1 |w:19.20| Show InChI InChI=1S/C21H32N4O4/c1-3-4-10-19(16-22-24-20(26)25-11-13-28-14-12-25)23-21(27)29-17(2)15-18-8-6-5-7-9-18/h5-9,16-17,19H,3-4,10-15H2,1-2H3,(H,23,27)(H,24,26)/t17-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of rat cathepsin K				Bioorg Med Chem Lett 16: 978-83 (2006) Article DOI: 10.1016/j.bmcl.2005.10.108 BindingDB Entry DOI: 10.7270/Q2X929VS
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50177497 (CHEMBL369961 | tert-butyl N-[(1E,2S)-1-{[(tert-but...) Show SMILES CCCC[C@H](NC(=O)OC(C)(C)C)C=NNC(=O)NC(C)(C)C |w:14.14| Show InChI InChI=1S/C16H32N4O3/c1-8-9-10-12(18-14(22)23-16(5,6)7)11-17-20-13(21)19-15(2,3)4/h11-12H,8-10H2,1-7H3,(H,18,22)(H2,19,20,21)/t12-/m0/s1	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	160	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of recombinant human cathepsin K in a fluorescence assay				Bioorg Med Chem Lett 16: 978-83 (2006) Article DOI: 10.1016/j.bmcl.2005.10.108 BindingDB Entry DOI: 10.7270/Q2X929VS
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50177488 (CHEMBL380659 | tert-butyl N-[(1E,2S)-1-({[(propan-...) Show SMILES CCCC[C@H](NC(=O)OC(C)(C)C)C=NNC(=O)NC(C)C |w:14.14| Show InChI InChI=1S/C15H30N4O3/c1-7-8-9-12(18-14(21)22-15(4,5)6)10-16-19-13(20)17-11(2)3/h10-12H,7-9H2,1-6H3,(H,18,21)(H2,17,19,20)/t12-/m0/s1	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	170	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of recombinant human cathepsin K in a fluorescence assay				Bioorg Med Chem Lett 16: 978-83 (2006) Article DOI: 10.1016/j.bmcl.2005.10.108 BindingDB Entry DOI: 10.7270/Q2X929VS
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50177514 (CHEMBL204451 | tert-butyl N-[(1E,2S)-1-{[N-(propan...) Show SMILES CCCC[C@H](NC(=O)OC(C)(C)C)C=NNC(=S)NC(C)C |w:14.14| Show InChI InChI=1S/C15H30N4O2S/c1-7-8-9-12(18-14(20)21-15(4,5)6)10-16-19-13(22)17-11(2)3/h10-12H,7-9H2,1-6H3,(H,18,20)(H2,17,19,22)/t12-/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	170	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of recombinant human cathepsin K in a fluorescence assay				Bioorg Med Chem Lett 16: 978-83 (2006) Article DOI: 10.1016/j.bmcl.2005.10.108 BindingDB Entry DOI: 10.7270/Q2X929VS
					More data for this Ligand-Target Pair

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