Compile Data Set for Download or QSAR

Found 256 hits with Last Name = 'micetich' and Initial = 'rg'   

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))	BDBM50121904 (CHEMBL30401 | [(S)-1-((3S,4R)-2-Oxo-4-phenoxy-azet...) Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@H](NC1=O)Oc1ccccc1)OCc1ccccc1 Show InChI InChI=1S/C26H25N3O5/c30-23(28-22-24(31)29-25(22)34-20-14-8-3-9-15-20)21(16-18-10-4-1-5-11-18)27-26(32)33-17-19-12-6-2-7-13-19/h1-15,21-22,25H,16-17H2,(H,27,32)(H,28,30)(H,29,31)/t21-,22+,25+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	<0.100	n/a	n/a	n/a	n/a	n/a	n/a
currently NAEJA Pharmaceutical Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human cathepsin S				Bioorg Med Chem Lett 13: 139-41 (2002) BindingDB Entry DOI: 10.7270/Q27W6BJB
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50121902 (CHEMBL287630 | [(S)-1-((2S,3R)-2-Benzenesulfonyl-4...) Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@@H](NC1=O)S(=O)(=O)c1ccccc1)OCc1ccccc1 Show InChI InChI=1S/C26H25N3O6S/c30-23(28-22-24(31)29-25(22)36(33,34)20-14-8-3-9-15-20)21(16-18-10-4-1-5-11-18)27-26(32)35-17-19-12-6-2-7-13-19/h1-15,21-22,25H,16-17H2,(H,27,32)(H,28,30)(H,29,31)/t21-,22+,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
currently NAEJA Pharmaceutical Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human Cathepsin L				Bioorg Med Chem Lett 13: 139-41 (2002) BindingDB Entry DOI: 10.7270/Q27W6BJB
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50121907 (CHEMBL31788 | [(S)-1-((3R,4S)-2-Oxo-4-phenylsulfan...) Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@@H](NC1=O)Sc1ccccc1)OCc1ccccc1 Show InChI InChI=1S/C26H25N3O4S/c30-23(28-22-24(31)29-25(22)34-20-14-8-3-9-15-20)21(16-18-10-4-1-5-11-18)27-26(32)33-17-19-12-6-2-7-13-19/h1-15,21-22,25H,16-17H2,(H,27,32)(H,28,30)(H,29,31)/t21-,22+,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
currently NAEJA Pharmaceutical Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human Cathepsin L				Bioorg Med Chem Lett 13: 139-41 (2002) BindingDB Entry DOI: 10.7270/Q27W6BJB
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50121041 (CHEMBL326093 | [(S)-1-((R)-4,7-Dioxo-4-(S)-oxo-4la...) Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@H]2N(CCS2(=O)=O)C1=O)OCc1ccccc1 Show InChI InChI=1S/C22H23N3O6S/c26-19(24-18-20(27)25-11-12-32(29,30)21(18)25)17(13-15-7-3-1-4-8-15)23-22(28)31-14-16-9-5-2-6-10-16/h1-10,17-18,21H,11-14H2,(H,23,28)(H,24,26)/t17-,18+,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
currently NAEJA Pharmaceutical Inc. Curated by ChEMBL					Assay Description Inhibition of Cbz-Phe-Arg-AMC binding to Cathepsin K cysteine protease				Bioorg Med Chem Lett 12: 3417-9 (2002) BindingDB Entry DOI: 10.7270/Q280520T
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50121039 (CHEMBL114410 | [(S)-2-Cyclohexyl-1-((5S,6R)-4,4,7-...) Show SMILES O=C(N[C@@H](CC1CCCCC1)C(=O)N[C@H]1[C@H]2N(CCS2(=O)=O)C1=O)OCc1ccccc1 Show InChI InChI=1S/C22H29N3O6S/c26-19(24-18-20(27)25-11-12-32(29,30)21(18)25)17(13-15-7-3-1-4-8-15)23-22(28)31-14-16-9-5-2-6-10-16/h2,5-6,9-10,15,17-18,21H,1,3-4,7-8,11-14H2,(H,23,28)(H,24,26)/t17-,18+,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
currently NAEJA Pharmaceutical Inc. Curated by ChEMBL					Assay Description In vitro Inhibitory activity of the compound was determined against Cathepsin S cysteine protease by using Cbz-Val-Arg-AMC				Bioorg Med Chem Lett 12: 3417-9 (2002) BindingDB Entry DOI: 10.7270/Q280520T
					More data for this Ligand-Target Pair
Procathepsin L (Rattus norvegicus)	BDBM50121039 (CHEMBL114410 | [(S)-2-Cyclohexyl-1-((5S,6R)-4,4,7-...) Show SMILES O=C(N[C@@H](CC1CCCCC1)C(=O)N[C@H]1[C@H]2N(CCS2(=O)=O)C1=O)OCc1ccccc1 Show InChI InChI=1S/C22H29N3O6S/c26-19(24-18-20(27)25-11-12-32(29,30)21(18)25)17(13-15-7-3-1-4-8-15)23-22(28)31-14-16-9-5-2-6-10-16/h2,5-6,9-10,15,17-18,21H,1,3-4,7-8,11-14H2,(H,23,28)(H,24,26)/t17-,18+,21-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
currently NAEJA Pharmaceutical Inc. Curated by ChEMBL					Assay Description Inhibition of Cbz-Phe-Arg-AMC binding to Cathepsin L cysteine protease				Bioorg Med Chem Lett 12: 3417-9 (2002) BindingDB Entry DOI: 10.7270/Q280520T
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 [L188C] (Homo sapiens (Human))	BDBM6347 (2-Aminoquinazoline 26 | 8-cyclopentyl-2-{[4-(piper...) Show SMILES Oc1ccc2cnc(Nc3ccc(cc3)N3CCNCC3)nc2c1C1CCCC1 Show InChI InChI=1S/C23H27N5O/c29-20-10-5-17-15-25-23(27-22(17)21(20)16-3-1-2-4-16)26-18-6-8-19(9-7-18)28-13-11-24-12-14-28/h5-10,15-16,24,29H,1-4,11-14H2,(H,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
NAEJA Pharmaceutical Inc.					Assay Description The enzyme was assayed with substrate GST- retinoblastoma in the presence of 25 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in...				Bioorg Med Chem Lett 15: 3881-5 (2005) Article DOI: 10.1016/j.bmcl.2005.05.131 BindingDB Entry DOI: 10.7270/Q2WW7FVW
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 [L188C] (Homo sapiens (Human))	BDBM6341 (2-Aminoquinazoline 20 | 8-cyclopentyl-7-methoxy-N-...) Show SMILES COc1ccc2cnc(Nc3ccc(cc3)N3CCNCC3)nc2c1C1CCCC1 Show InChI InChI=1S/C24H29N5O/c1-30-21-11-6-18-16-26-24(28-23(18)22(21)17-4-2-3-5-17)27-19-7-9-20(10-8-19)29-14-12-25-13-15-29/h6-11,16-17,25H,2-5,12-15H2,1H3,(H,26,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
NAEJA Pharmaceutical Inc.					Assay Description The enzyme was assayed with substrate GST- retinoblastoma in the presence of 25 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in...				Bioorg Med Chem Lett 15: 3881-5 (2005) Article DOI: 10.1016/j.bmcl.2005.05.131 BindingDB Entry DOI: 10.7270/Q2WW7FVW
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 [L188C] (Homo sapiens (Human))	BDBM6348 (2-Aminoquinazoline 27 | 8-cyclopentyl-2-{[3-fluoro...) Show SMILES Oc1ccc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc2c1C1CCCC1 Show InChI InChI=1S/C23H26FN5O/c24-18-13-17(6-7-19(18)29-11-9-25-10-12-29)27-23-26-14-16-5-8-20(30)21(22(16)28-23)15-3-1-2-4-15/h5-8,13-15,25,30H,1-4,9-12H2,(H,26,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
NAEJA Pharmaceutical Inc.					Assay Description The enzyme was assayed with substrate GST- retinoblastoma in the presence of 25 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in...				Bioorg Med Chem Lett 15: 3881-5 (2005) Article DOI: 10.1016/j.bmcl.2005.05.131 BindingDB Entry DOI: 10.7270/Q2WW7FVW
					More data for this Ligand-Target Pair
Procathepsin L (Rattus norvegicus)	BDBM50121041 (CHEMBL326093 | [(S)-1-((R)-4,7-Dioxo-4-(S)-oxo-4la...) Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@H]2N(CCS2(=O)=O)C1=O)OCc1ccccc1 Show InChI InChI=1S/C22H23N3O6S/c26-19(24-18-20(27)25-11-12-32(29,30)21(18)25)17(13-15-7-3-1-4-8-15)23-22(28)31-14-16-9-5-2-6-10-16/h1-10,17-18,21H,11-14H2,(H,23,28)(H,24,26)/t17-,18+,21-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
currently NAEJA Pharmaceutical Inc. Curated by ChEMBL					Assay Description Inhibition of Cbz-Phe-Arg-AMC binding to Cathepsin L cysteine protease				Bioorg Med Chem Lett 12: 3417-9 (2002) BindingDB Entry DOI: 10.7270/Q280520T
					More data for this Ligand-Target Pair
Procathepsin L (Rattus norvegicus)	BDBM50121040 (CHEMBL117928 | [(S)-2-Pyridin-3-yl-1-((5S,6R)-4,4,...) Show SMILES O=C(N[C@@H](Cc1cccnc1)C(=O)N[C@H]1[C@H]2N(CCS2(=O)=O)C1=O)OCc1ccccc1 Show InChI InChI=1S/C21H22N4O6S/c26-18(24-17-19(27)25-9-10-32(29,30)20(17)25)16(11-15-7-4-8-22-12-15)23-21(28)31-13-14-5-2-1-3-6-14/h1-8,12,16-17,20H,9-11,13H2,(H,23,28)(H,24,26)/t16-,17+,20-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
currently NAEJA Pharmaceutical Inc. Curated by ChEMBL					Assay Description Inhibition of Cbz-Phe-Arg-AMC binding to Cathepsin L cysteine protease				Bioorg Med Chem Lett 12: 3417-9 (2002) BindingDB Entry DOI: 10.7270/Q280520T
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50121038 (CHEMBL113706 | [(S)-2-Thiophen-2-yl-1-((5S,6R)-4,4...) Show SMILES O=C(N[C@@H](Cc1cccs1)C(=O)N[C@H]1[C@H]2N(CCS2(=O)=O)C1=O)OCc1ccccc1 Show InChI InChI=1S/C20H21N3O6S2/c24-17(22-16-18(25)23-8-10-31(27,28)19(16)23)15(11-14-7-4-9-30-14)21-20(26)29-12-13-5-2-1-3-6-13/h1-7,9,15-16,19H,8,10-12H2,(H,21,26)(H,22,24)/t15-,16+,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
currently NAEJA Pharmaceutical Inc. Curated by ChEMBL					Assay Description Inhibition of Cbz-Phe-Arg-AMC binding to Cathepsin K cysteine protease				Bioorg Med Chem Lett 12: 3417-9 (2002) BindingDB Entry DOI: 10.7270/Q280520T
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 [L188C] (Homo sapiens (Human))	BDBM6343 (1-(4-{4-[(8-cyclopentyl-7-methoxyquinazolin-2-yl)a...) Show SMILES COc1ccc2cnc(Nc3ccc(cc3)N3CCN(CC3)C(C)=O)nc2c1C1CCCC1 Show InChI InChI=1S/C26H31N5O2/c1-18(32)30-13-15-31(16-14-30)22-10-8-21(9-11-22)28-26-27-17-20-7-12-23(33-2)24(25(20)29-26)19-5-3-4-6-19/h7-12,17,19H,3-6,13-16H2,1-2H3,(H,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
NAEJA Pharmaceutical Inc.					Assay Description The enzyme was assayed with substrate GST- retinoblastoma in the presence of 25 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in...				Bioorg Med Chem Lett 15: 3881-5 (2005) Article DOI: 10.1016/j.bmcl.2005.05.131 BindingDB Entry DOI: 10.7270/Q2WW7FVW
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 [L188C] (Homo sapiens (Human))	BDBM6344 (2-Aminoquinazoline 23 | 2-amino-1-(4-{4-[(8-cyclop...) Show SMILES COc1ccc2cnc(Nc3ccc(cc3)N3CCN(CC3)C(=O)CN)nc2c1C1CCCC1 Show InChI InChI=1S/C26H32N6O2/c1-34-22-11-6-19-17-28-26(30-25(19)24(22)18-4-2-3-5-18)29-20-7-9-21(10-8-20)31-12-14-32(15-13-31)23(33)16-27/h6-11,17-18H,2-5,12-16,27H2,1H3,(H,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
NAEJA Pharmaceutical Inc.					Assay Description The enzyme was assayed with substrate GST- retinoblastoma in the presence of 25 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in...				Bioorg Med Chem Lett 15: 3881-5 (2005) Article DOI: 10.1016/j.bmcl.2005.05.131 BindingDB Entry DOI: 10.7270/Q2WW7FVW
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50121040 (CHEMBL117928 | [(S)-2-Pyridin-3-yl-1-((5S,6R)-4,4,...) Show SMILES O=C(N[C@@H](Cc1cccnc1)C(=O)N[C@H]1[C@H]2N(CCS2(=O)=O)C1=O)OCc1ccccc1 Show InChI InChI=1S/C21H22N4O6S/c26-18(24-17-19(27)25-9-10-32(29,30)20(17)25)16(11-15-7-4-8-22-12-15)23-21(28)31-13-14-5-2-1-3-6-14/h1-8,12,16-17,20H,9-11,13H2,(H,23,28)(H,24,26)/t16-,17+,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
currently NAEJA Pharmaceutical Inc. Curated by ChEMBL					Assay Description Inhibition of Cbz-Phe-Arg-AMC binding to Cathepsin K cysteine protease				Bioorg Med Chem Lett 12: 3417-9 (2002) BindingDB Entry DOI: 10.7270/Q280520T
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50121904 (CHEMBL30401 | [(S)-1-((3S,4R)-2-Oxo-4-phenoxy-azet...) Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@H](NC1=O)Oc1ccccc1)OCc1ccccc1 Show InChI InChI=1S/C26H25N3O5/c30-23(28-22-24(31)29-25(22)34-20-14-8-3-9-15-20)21(16-18-10-4-1-5-11-18)27-26(32)33-17-19-12-6-2-7-13-19/h1-15,21-22,25H,16-17H2,(H,27,32)(H,28,30)(H,29,31)/t21-,22+,25+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
currently NAEJA Pharmaceutical Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human Cathepsin L				Bioorg Med Chem Lett 13: 139-41 (2002) BindingDB Entry DOI: 10.7270/Q27W6BJB
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50121042 (CHEMBL323638 | [(S)-2-Naphthalen-2-yl-1-((5S,6R)-4...) Show SMILES O=C(N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@H]1[C@H]2N(CCS2(=O)=O)C1=O)OCc1ccccc1 Show InChI InChI=1S/C26H25N3O6S/c30-23(28-22-24(31)29-12-13-36(33,34)25(22)29)21(27-26(32)35-16-17-6-2-1-3-7-17)15-18-10-11-19-8-4-5-9-20(19)14-18/h1-11,14,21-22,25H,12-13,15-16H2,(H,27,32)(H,28,30)/t21-,22+,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
currently NAEJA Pharmaceutical Inc. Curated by ChEMBL					Assay Description In vitro Inhibitory activity of the compound was determined against Cathepsin S cysteine protease by using Cbz-Val-Arg-AMC				Bioorg Med Chem Lett 12: 3417-9 (2002) BindingDB Entry DOI: 10.7270/Q280520T
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 [L188C] (Homo sapiens (Human))	BDBM6346 (2-Aminoquinazoline 25 | 8-cyclopentyl-2-{[4-(morph...) Show SMILES Oc1ccc2cnc(Nc3ccc(cc3)N3CCOCC3)nc2c1C1CCCC1 Show InChI InChI=1S/C23H26N4O2/c28-20-10-5-17-15-24-23(26-22(17)21(20)16-3-1-2-4-16)25-18-6-8-19(9-7-18)27-11-13-29-14-12-27/h5-10,15-16,28H,1-4,11-14H2,(H,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
NAEJA Pharmaceutical Inc.					Assay Description The enzyme was assayed with substrate GST- retinoblastoma in the presence of 25 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in...				Bioorg Med Chem Lett 15: 3881-5 (2005) Article DOI: 10.1016/j.bmcl.2005.05.131 BindingDB Entry DOI: 10.7270/Q2WW7FVW
					More data for this Ligand-Target Pair
Procathepsin L (Rattus norvegicus)	BDBM50121038 (CHEMBL113706 | [(S)-2-Thiophen-2-yl-1-((5S,6R)-4,4...) Show SMILES O=C(N[C@@H](Cc1cccs1)C(=O)N[C@H]1[C@H]2N(CCS2(=O)=O)C1=O)OCc1ccccc1 Show InChI InChI=1S/C20H21N3O6S2/c24-17(22-16-18(25)23-8-10-31(27,28)19(16)23)15(11-14-7-4-9-30-14)21-20(26)29-12-13-5-2-1-3-6-13/h1-7,9,15-16,19H,8,10-12H2,(H,21,26)(H,22,24)/t15-,16+,19-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
currently NAEJA Pharmaceutical Inc. Curated by ChEMBL					Assay Description Inhibition of Cbz-Phe-Arg-AMC binding to Cathepsin L cysteine protease				Bioorg Med Chem Lett 12: 3417-9 (2002) BindingDB Entry DOI: 10.7270/Q280520T
					More data for this Ligand-Target Pair
Procathepsin L (Rattus norvegicus)	BDBM50121044 (CHEMBL116041 | [(S)-2-(3-Fluoro-phenyl)-1-((5S,6R)...) Show SMILES Fc1cccc(C[C@H](NC(=O)OCc2ccccc2)C(=O)N[C@H]2[C@H]3N(CCS3(=O)=O)C2=O)c1 Show InChI InChI=1S/C22H22FN3O6S/c23-16-8-4-7-15(11-16)12-17(24-22(29)32-13-14-5-2-1-3-6-14)19(27)25-18-20(28)26-9-10-33(30,31)21(18)26/h1-8,11,17-18,21H,9-10,12-13H2,(H,24,29)(H,25,27)/t17-,18+,21-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
currently NAEJA Pharmaceutical Inc. Curated by ChEMBL					Assay Description Inhibition of Cbz-Phe-Arg-AMC binding to Cathepsin L cysteine protease				Bioorg Med Chem Lett 12: 3417-9 (2002) BindingDB Entry DOI: 10.7270/Q280520T
					More data for this Ligand-Target Pair
Procathepsin L (Rattus norvegicus)	BDBM50121042 (CHEMBL323638 | [(S)-2-Naphthalen-2-yl-1-((5S,6R)-4...) Show SMILES O=C(N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@H]1[C@H]2N(CCS2(=O)=O)C1=O)OCc1ccccc1 Show InChI InChI=1S/C26H25N3O6S/c30-23(28-22-24(31)29-12-13-36(33,34)25(22)29)21(27-26(32)35-16-17-6-2-1-3-7-17)15-18-10-11-19-8-4-5-9-20(19)14-18/h1-11,14,21-22,25H,12-13,15-16H2,(H,27,32)(H,28,30)/t21-,22+,25-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
currently NAEJA Pharmaceutical Inc. Curated by ChEMBL					Assay Description Inhibition of Cbz-Phe-Arg-AMC binding to Cathepsin L cysteine protease				Bioorg Med Chem Lett 12: 3417-9 (2002) BindingDB Entry DOI: 10.7270/Q280520T
					More data for this Ligand-Target Pair
Procathepsin L (Rattus norvegicus)	BDBM50121030 (CHEMBL115734 | [(S)-1-((5S,6S)-7-Oxo-4-oxa-1-aza-b...) Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@@H]2OCCN2C1=O)OCc1ccccc1 Show InChI InChI=1S/C22H23N3O5/c26-19(24-18-20(27)25-11-12-29-21(18)25)17(13-15-7-3-1-4-8-15)23-22(28)30-14-16-9-5-2-6-10-16/h1-10,17-18,21H,11-14H2,(H,23,28)(H,24,26)/t17-,18+,21-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
currently NAEJA Pharmaceutical Inc. Curated by ChEMBL					Assay Description In vitro Inhibitory activity of the compound was determined against Cathepsin L cysteine protease by using Cbz-Phe-Arg-AMC				Bioorg Med Chem Lett 12: 3413-5 (2002) BindingDB Entry DOI: 10.7270/Q2CR5SQF
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 [L188C] (Homo sapiens (Human))	BDBM6342 (2-Aminoquinazoline 21 | 8-cyclopentyl-N-[3-fluoro-...) Show SMILES COc1ccc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc2c1C1CCCC1 Show InChI InChI=1S/C24H28FN5O/c1-31-21-9-6-17-15-27-24(29-23(17)22(21)16-4-2-3-5-16)28-18-7-8-20(19(25)14-18)30-12-10-26-11-13-30/h6-9,14-16,26H,2-5,10-13H2,1H3,(H,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
NAEJA Pharmaceutical Inc.					Assay Description The enzyme was assayed with substrate GST- retinoblastoma in the presence of 25 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in...				Bioorg Med Chem Lett 15: 3881-5 (2005) Article DOI: 10.1016/j.bmcl.2005.05.131 BindingDB Entry DOI: 10.7270/Q2WW7FVW
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50121038 (CHEMBL113706 | [(S)-2-Thiophen-2-yl-1-((5S,6R)-4,4...) Show SMILES O=C(N[C@@H](Cc1cccs1)C(=O)N[C@H]1[C@H]2N(CCS2(=O)=O)C1=O)OCc1ccccc1 Show InChI InChI=1S/C20H21N3O6S2/c24-17(22-16-18(25)23-8-10-31(27,28)19(16)23)15(11-14-7-4-9-30-14)21-20(26)29-12-13-5-2-1-3-6-13/h1-7,9,15-16,19H,8,10-12H2,(H,21,26)(H,22,24)/t15-,16+,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
currently NAEJA Pharmaceutical Inc. Curated by ChEMBL					Assay Description In vitro Inhibitory activity of the compound was determined against Cathepsin S cysteine protease by using Cbz-Val-Arg-AMC				Bioorg Med Chem Lett 12: 3417-9 (2002) BindingDB Entry DOI: 10.7270/Q280520T
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50121034 (CHEMBL332025 | [1-((S)-7-Oxo-4-oxa-1-aza-bicyclo[3...) Show SMILES O=C(NC(Cc1ccccc1)C(=O)NC1[C@@H]2OCCN2C1=O)OCc1ccccc1 Show InChI InChI=1S/C22H23N3O5/c26-19(24-18-20(27)25-11-12-29-21(18)25)17(13-15-7-3-1-4-8-15)23-22(28)30-14-16-9-5-2-6-10-16/h1-10,17-18,21H,11-14H2,(H,23,28)(H,24,26)/t17?,18?,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
currently NAEJA Pharmaceutical Inc. Curated by ChEMBL					Assay Description Inhibition of Cbz-Phe-Arg-AMC binding to Cathepsin K cysteine protease				Bioorg Med Chem Lett 12: 3417-9 (2002) BindingDB Entry DOI: 10.7270/Q280520T
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50121030 (CHEMBL115734 | [(S)-1-((5S,6S)-7-Oxo-4-oxa-1-aza-b...) Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@@H]2OCCN2C1=O)OCc1ccccc1 Show InChI InChI=1S/C22H23N3O5/c26-19(24-18-20(27)25-11-12-29-21(18)25)17(13-15-7-3-1-4-8-15)23-22(28)30-14-16-9-5-2-6-10-16/h1-10,17-18,21H,11-14H2,(H,23,28)(H,24,26)/t17-,18+,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
currently NAEJA Pharmaceutical Inc. Curated by ChEMBL					Assay Description In vitro Inhibitory activity of the compound was determined against Cathepsin K cysteine protease by using Cbz-Phe-Arg-AMC				Bioorg Med Chem Lett 12: 3413-5 (2002) BindingDB Entry DOI: 10.7270/Q2CR5SQF
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50121044 (CHEMBL116041 | [(S)-2-(3-Fluoro-phenyl)-1-((5S,6R)...) Show SMILES Fc1cccc(C[C@H](NC(=O)OCc2ccccc2)C(=O)N[C@H]2[C@H]3N(CCS3(=O)=O)C2=O)c1 Show InChI InChI=1S/C22H22FN3O6S/c23-16-8-4-7-15(11-16)12-17(24-22(29)32-13-14-5-2-1-3-6-14)19(27)25-18-20(28)26-9-10-33(30,31)21(18)26/h1-8,11,17-18,21H,9-10,12-13H2,(H,24,29)(H,25,27)/t17-,18+,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
currently NAEJA Pharmaceutical Inc. Curated by ChEMBL					Assay Description Inhibition of Cbz-Phe-Arg-AMC binding to Cathepsin K cysteine protease				Bioorg Med Chem Lett 12: 3417-9 (2002) BindingDB Entry DOI: 10.7270/Q280520T
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50121902 (CHEMBL287630 | [(S)-1-((2S,3R)-2-Benzenesulfonyl-4...) Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@@H](NC1=O)S(=O)(=O)c1ccccc1)OCc1ccccc1 Show InChI InChI=1S/C26H25N3O6S/c30-23(28-22-24(31)29-25(22)36(33,34)20-14-8-3-9-15-20)21(16-18-10-4-1-5-11-18)27-26(32)35-17-19-12-6-2-7-13-19/h1-15,21-22,25H,16-17H2,(H,27,32)(H,28,30)(H,29,31)/t21-,22+,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
currently NAEJA Pharmaceutical Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human Cathepsin K				Bioorg Med Chem Lett 13: 139-41 (2002) BindingDB Entry DOI: 10.7270/Q27W6BJB
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 [L188C] (Homo sapiens (Human))	BDBM6334 (2-Aminoquinazoline 12 | N-[3-fluoro-4-(piperazin-1...) Show SMILES COc1ccc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc2c1C(C)C Show InChI InChI=1S/C22H26FN5O/c1-14(2)20-19(29-3)7-4-15-13-25-22(27-21(15)20)26-16-5-6-18(17(23)12-16)28-10-8-24-9-11-28/h4-7,12-14,24H,8-11H2,1-3H3,(H,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
NAEJA Pharmaceutical Inc.					Assay Description The enzyme was assayed with substrate GST- retinoblastoma in the presence of 25 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in...				Bioorg Med Chem Lett 15: 3881-5 (2005) Article DOI: 10.1016/j.bmcl.2005.05.131 BindingDB Entry DOI: 10.7270/Q2WW7FVW
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50121043 (CHEMBL323637 | [(S)-1-((R)-4,7-Dioxo-4-(R)-oxo-4la...) Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@@H]2N(CCS2(=O)=O)C1=O)OCc1ccccc1 Show InChI InChI=1S/C22H23N3O6S/c26-19(24-18-20(27)25-11-12-32(29,30)21(18)25)17(13-15-7-3-1-4-8-15)23-22(28)31-14-16-9-5-2-6-10-16/h1-10,17-18,21H,11-14H2,(H,23,28)(H,24,26)/t17-,18+,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
currently NAEJA Pharmaceutical Inc. Curated by ChEMBL					Assay Description Inhibition of Cbz-Phe-Arg-AMC binding to Cathepsin K cysteine protease				Bioorg Med Chem Lett 12: 3417-9 (2002) BindingDB Entry DOI: 10.7270/Q280520T
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50121039 (CHEMBL114410 | [(S)-2-Cyclohexyl-1-((5S,6R)-4,4,7-...) Show SMILES O=C(N[C@@H](CC1CCCCC1)C(=O)N[C@H]1[C@H]2N(CCS2(=O)=O)C1=O)OCc1ccccc1 Show InChI InChI=1S/C22H29N3O6S/c26-19(24-18-20(27)25-11-12-32(29,30)21(18)25)17(13-15-7-3-1-4-8-15)23-22(28)31-14-16-9-5-2-6-10-16/h2,5-6,9-10,15,17-18,21H,1,3-4,7-8,11-14H2,(H,23,28)(H,24,26)/t17-,18+,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.60	n/a	n/a	n/a	n/a	n/a	n/a
currently NAEJA Pharmaceutical Inc. Curated by ChEMBL					Assay Description Inhibition of Cbz-Phe-Arg-AMC binding to Cathepsin K cysteine protease				Bioorg Med Chem Lett 12: 3417-9 (2002) BindingDB Entry DOI: 10.7270/Q280520T
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50121044 (CHEMBL116041 | [(S)-2-(3-Fluoro-phenyl)-1-((5S,6R)...) Show SMILES Fc1cccc(C[C@H](NC(=O)OCc2ccccc2)C(=O)N[C@H]2[C@H]3N(CCS3(=O)=O)C2=O)c1 Show InChI InChI=1S/C22H22FN3O6S/c23-16-8-4-7-15(11-16)12-17(24-22(29)32-13-14-5-2-1-3-6-14)19(27)25-18-20(28)26-9-10-33(30,31)21(18)26/h1-8,11,17-18,21H,9-10,12-13H2,(H,24,29)(H,25,27)/t17-,18+,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
currently NAEJA Pharmaceutical Inc. Curated by ChEMBL					Assay Description In vitro Inhibitory activity of the compound was determined against Cathepsin S cysteine protease by using Cbz-Val-Arg-AMC				Bioorg Med Chem Lett 12: 3417-9 (2002) BindingDB Entry DOI: 10.7270/Q280520T
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50121907 (CHEMBL31788 | [(S)-1-((3R,4S)-2-Oxo-4-phenylsulfan...) Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@@H](NC1=O)Sc1ccccc1)OCc1ccccc1 Show InChI InChI=1S/C26H25N3O4S/c30-23(28-22-24(31)29-25(22)34-20-14-8-3-9-15-20)21(16-18-10-4-1-5-11-18)27-26(32)33-17-19-12-6-2-7-13-19/h1-15,21-22,25H,16-17H2,(H,27,32)(H,28,30)(H,29,31)/t21-,22+,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	8.40	n/a	n/a	n/a	n/a	n/a	n/a
currently NAEJA Pharmaceutical Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human Cathepsin K				Bioorg Med Chem Lett 13: 139-41 (2002) BindingDB Entry DOI: 10.7270/Q27W6BJB
					More data for this Ligand-Target Pair
Procathepsin L (Rattus norvegicus)	BDBM50121043 (CHEMBL323637 | [(S)-1-((R)-4,7-Dioxo-4-(R)-oxo-4la...) Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@@H]2N(CCS2(=O)=O)C1=O)OCc1ccccc1 Show InChI InChI=1S/C22H23N3O6S/c26-19(24-18-20(27)25-11-12-32(29,30)21(18)25)17(13-15-7-3-1-4-8-15)23-22(28)31-14-16-9-5-2-6-10-16/h1-10,17-18,21H,11-14H2,(H,23,28)(H,24,26)/t17-,18+,21+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	9.60	n/a	n/a	n/a	n/a	n/a	n/a
currently NAEJA Pharmaceutical Inc. Curated by ChEMBL					Assay Description Inhibition of Cbz-Phe-Arg-AMC binding to Cathepsin L cysteine protease				Bioorg Med Chem Lett 12: 3417-9 (2002) BindingDB Entry DOI: 10.7270/Q280520T
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 [L188C] (Homo sapiens (Human))	BDBM6335 (2-Aminoquinazoline 14 | 2-amino-1-[4-(4-{[7-methox...) Show SMILES COc1ccc2cnc(Nc3ccc(cc3)N3CCN(CC3)C(=O)CN)nc2c1C(C)C Show InChI InChI=1S/C24H30N6O2/c1-16(2)22-20(32-3)9-4-17-15-26-24(28-23(17)22)27-18-5-7-19(8-6-18)29-10-12-30(13-11-29)21(31)14-25/h4-9,15-16H,10-14,25H2,1-3H3,(H,26,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
NAEJA Pharmaceutical Inc.					Assay Description The enzyme was assayed with substrate GST- retinoblastoma in the presence of 25 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in...				Bioorg Med Chem Lett 15: 3881-5 (2005) Article DOI: 10.1016/j.bmcl.2005.05.131 BindingDB Entry DOI: 10.7270/Q2WW7FVW
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50121041 (CHEMBL326093 | [(S)-1-((R)-4,7-Dioxo-4-(S)-oxo-4la...) Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@H]2N(CCS2(=O)=O)C1=O)OCc1ccccc1 Show InChI InChI=1S/C22H23N3O6S/c26-19(24-18-20(27)25-11-12-32(29,30)21(18)25)17(13-15-7-3-1-4-8-15)23-22(28)31-14-16-9-5-2-6-10-16/h1-10,17-18,21H,11-14H2,(H,23,28)(H,24,26)/t17-,18+,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
currently NAEJA Pharmaceutical Inc. Curated by ChEMBL					Assay Description In vitro Inhibitory activity of the compound was determined against Cathepsin S cysteine protease by using Cbz-Val-Arg-AMC				Bioorg Med Chem Lett 12: 3417-9 (2002) BindingDB Entry DOI: 10.7270/Q280520T
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 [L188C] (Homo sapiens (Human))	BDBM6330 (2-Aminoquinazoline 8 | N-[4-(3-aminopyrrolidin-1-y...) Show SMILES COc1ccc2cnc(Nc3ccc(cc3)N3CCC(N)C3)nc2c1C(C)C Show InChI InChI=1S/C22H27N5O/c1-14(2)20-19(28-3)9-4-15-12-24-22(26-21(15)20)25-17-5-7-18(8-6-17)27-11-10-16(23)13-27/h4-9,12,14,16H,10-11,13,23H2,1-3H3,(H,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
NAEJA Pharmaceutical Inc.					Assay Description The enzyme was assayed with substrate GST- retinoblastoma in the presence of 25 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in...				Bioorg Med Chem Lett 15: 3881-5 (2005) Article DOI: 10.1016/j.bmcl.2005.05.131 BindingDB Entry DOI: 10.7270/Q2WW7FVW
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 [L188C] (Homo sapiens (Human))	BDBM6339 (2-Aminoquinazoline 18 | 8-cyclopentyl-7-methoxy-N-...) Show SMILES COc1ccc2cnc(Nc3ccc(cc3)N3CCCCC3)nc2c1C1CCCC1 Show InChI InChI=1S/C25H30N4O/c1-30-22-14-9-19-17-26-25(28-24(19)23(22)18-7-3-4-8-18)27-20-10-12-21(13-11-20)29-15-5-2-6-16-29/h9-14,17-18H,2-8,15-16H2,1H3,(H,26,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
NAEJA Pharmaceutical Inc.					Assay Description The enzyme was assayed with substrate GST- retinoblastoma in the presence of 25 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in...				Bioorg Med Chem Lett 15: 3881-5 (2005) Article DOI: 10.1016/j.bmcl.2005.05.131 BindingDB Entry DOI: 10.7270/Q2WW7FVW
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 [L188C] (Homo sapiens (Human))	BDBM6352 (2-Aminoquinazoline 31 | 8-cyclopentyl-5-methyl-2-{...) Show SMILES Cc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCNCC3)ncc12 Show InChI InChI=1S/C23H28N6O/c1-16-14-21(30)29(19-4-2-3-5-19)22-20(16)15-25-23(27-22)26-17-6-8-18(9-7-17)28-12-10-24-11-13-28/h6-9,14-15,19,24H,2-5,10-13H2,1H3,(H,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
NAEJA Pharmaceutical Inc.					Assay Description The enzyme was assayed with substrate GST- retinoblastoma in the presence of 25 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in...				Bioorg Med Chem Lett 15: 3881-5 (2005) Article DOI: 10.1016/j.bmcl.2005.05.131 BindingDB Entry DOI: 10.7270/Q2WW7FVW
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50121903 (CHEMBL31272 | [(S)-1-((3R,4R)-2-Oxo-4-phenylsulfan...) Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@H](NC1=O)Sc1ccccc1)OCc1ccccc1 Show InChI InChI=1S/C26H25N3O4S/c30-23(28-22-24(31)29-25(22)34-20-14-8-3-9-15-20)21(16-18-10-4-1-5-11-18)27-26(32)33-17-19-12-6-2-7-13-19/h1-15,21-22,25H,16-17H2,(H,27,32)(H,28,30)(H,29,31)/t21-,22+,25+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
currently NAEJA Pharmaceutical Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human Cathepsin L				Bioorg Med Chem Lett 13: 139-41 (2002) BindingDB Entry DOI: 10.7270/Q27W6BJB
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 [L188C] (Homo sapiens (Human))	BDBM6333 (2-Aminoquinazoline 11 | 7-methoxy-N-[4-(piperazin-...) Show SMILES COc1ccc2cnc(Nc3ccc(cc3)N3CCNCC3)nc2c1C(C)C Show InChI InChI=1S/C22H27N5O/c1-15(2)20-19(28-3)9-4-16-14-24-22(26-21(16)20)25-17-5-7-18(8-6-17)27-12-10-23-11-13-27/h4-9,14-15,23H,10-13H2,1-3H3,(H,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
NAEJA Pharmaceutical Inc.					Assay Description The enzyme was assayed with substrate GST- retinoblastoma in the presence of 25 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in...				Bioorg Med Chem Lett 15: 3881-5 (2005) Article DOI: 10.1016/j.bmcl.2005.05.131 BindingDB Entry DOI: 10.7270/Q2WW7FVW
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50121904 (CHEMBL30401 | [(S)-1-((3S,4R)-2-Oxo-4-phenoxy-azet...) Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@H](NC1=O)Oc1ccccc1)OCc1ccccc1 Show InChI InChI=1S/C26H25N3O5/c30-23(28-22-24(31)29-25(22)34-20-14-8-3-9-15-20)21(16-18-10-4-1-5-11-18)27-26(32)33-17-19-12-6-2-7-13-19/h1-15,21-22,25H,16-17H2,(H,27,32)(H,28,30)(H,29,31)/t21-,22+,25+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
currently NAEJA Pharmaceutical Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human Cathepsin K				Bioorg Med Chem Lett 13: 139-41 (2002) BindingDB Entry DOI: 10.7270/Q27W6BJB
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50121912 (CHEMBL282602 | [(S)-1-((3S,4S)-2-Oxo-4-phenoxy-aze...) Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@@H](NC1=O)Oc1ccccc1)OCc1ccccc1 Show InChI InChI=1S/C26H25N3O5/c30-23(28-22-24(31)29-25(22)34-20-14-8-3-9-15-20)21(16-18-10-4-1-5-11-18)27-26(32)33-17-19-12-6-2-7-13-19/h1-15,21-22,25H,16-17H2,(H,27,32)(H,28,30)(H,29,31)/t21-,22+,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
currently NAEJA Pharmaceutical Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human Cathepsin L				Bioorg Med Chem Lett 13: 139-41 (2002) BindingDB Entry DOI: 10.7270/Q27W6BJB
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 [L188C] (Homo sapiens (Human))	BDBM6340 (2-Aminoquinazoline 19 | 8-cyclopentyl-7-methoxy-N-...) Show SMILES COc1ccc2cnc(Nc3ccc(cc3)N3CCOCC3)nc2c1C1CCCC1 Show InChI InChI=1S/C24H28N4O2/c1-29-21-11-6-18-16-25-24(27-23(18)22(21)17-4-2-3-5-17)26-19-7-9-20(10-8-19)28-12-14-30-15-13-28/h6-11,16-17H,2-5,12-15H2,1H3,(H,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
NAEJA Pharmaceutical Inc.					Assay Description The enzyme was assayed with substrate GST- retinoblastoma in the presence of 25 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in...				Bioorg Med Chem Lett 15: 3881-5 (2005) Article DOI: 10.1016/j.bmcl.2005.05.131 BindingDB Entry DOI: 10.7270/Q2WW7FVW
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 [L188C] (Homo sapiens (Human))	BDBM6351 (2-Aminoquinazoline 30 | 8-cyclopentyl-5-methyl-2-{...) Show SMILES Cc1cc(O)c(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCNCC3)ncc12 Show InChI InChI=1S/C24H29N5O/c1-16-14-21(30)22(17-4-2-3-5-17)23-20(16)15-26-24(28-23)27-18-6-8-19(9-7-18)29-12-10-25-11-13-29/h6-9,14-15,17,25,30H,2-5,10-13H2,1H3,(H,26,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
NAEJA Pharmaceutical Inc.					Assay Description The enzyme was assayed with substrate GST- retinoblastoma in the presence of 25 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in...				Bioorg Med Chem Lett 15: 3881-5 (2005) Article DOI: 10.1016/j.bmcl.2005.05.131 BindingDB Entry DOI: 10.7270/Q2WW7FVW
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50121911 (Benzoic acid (2S,3S)-3-((S)-2-benzyloxycarbonylami...) Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@@H](NC1=O)OC(=O)c1ccccc1)OCc1ccccc1 Show InChI InChI=1S/C27H25N3O6/c31-23(29-22-24(32)30-25(22)36-26(33)20-14-8-3-9-15-20)21(16-18-10-4-1-5-11-18)28-27(34)35-17-19-12-6-2-7-13-19/h1-15,21-22,25H,16-17H2,(H,28,34)(H,29,31)(H,30,32)/t21-,22+,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
currently NAEJA Pharmaceutical Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human cathepsin S				Bioorg Med Chem Lett 13: 139-41 (2002) BindingDB Entry DOI: 10.7270/Q27W6BJB
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 [L188C] (Homo sapiens (Human))	BDBM6353 (1-[4-(4-{[7-methoxy-8-(propan-2-yl)quinazolin-2-yl...) Show SMILES COc1ccc2cnc(Nc3ccc(cc3)N3CCN(CC3)C(C)=O)nc2c1C(C)C Show InChI InChI=1S/C24H29N5O2/c1-16(2)22-21(31-4)10-5-18-15-25-24(27-23(18)22)26-19-6-8-20(9-7-19)29-13-11-28(12-14-29)17(3)30/h5-10,15-16H,11-14H2,1-4H3,(H,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
NAEJA Pharmaceutical Inc.					Assay Description The enzyme was assayed with substrate GST- retinoblastoma in the presence of 25 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in...				Bioorg Med Chem Lett 15: 3881-5 (2005) Article DOI: 10.1016/j.bmcl.2005.05.131 BindingDB Entry DOI: 10.7270/Q2WW7FVW
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM6341 (2-Aminoquinazoline 20 | 8-cyclopentyl-7-methoxy-N-...) Show SMILES COc1ccc2cnc(Nc3ccc(cc3)N3CCNCC3)nc2c1C1CCCC1 Show InChI InChI=1S/C24H29N5O/c1-30-21-11-6-18-16-26-24(28-23(18)22(21)17-4-2-3-5-17)27-19-7-9-20(10-8-19)29-14-12-25-13-15-29/h6-11,16-17,25H,2-5,12-15H2,1H3,(H,26,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	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
NAEJA Pharmaceutical Inc.					Assay Description The enzyme was assayed with substrate GST- retinoblastoma in the presence of 12 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in...				Bioorg Med Chem Lett 15: 3881-5 (2005) Article DOI: 10.1016/j.bmcl.2005.05.131 BindingDB Entry DOI: 10.7270/Q2WW7FVW
					More data for this Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1 (Homo sapiens (Human))	BDBM6347 (2-Aminoquinazoline 26 | 8-cyclopentyl-2-{[4-(piper...) Show SMILES Oc1ccc2cnc(Nc3ccc(cc3)N3CCNCC3)nc2c1C1CCCC1 Show InChI InChI=1S/C23H27N5O/c29-20-10-5-17-15-25-23(27-22(17)21(20)16-3-1-2-4-16)26-18-6-8-19(9-7-18)28-13-11-24-12-14-28/h5-10,15-16,24,29H,1-4,11-14H2,(H,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
NAEJA Pharmaceutical Inc.					Assay Description The enzyme was assayed with substrate GST- retinoblastoma in the presence of 12 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in...				Bioorg Med Chem Lett 15: 3881-5 (2005) Article DOI: 10.1016/j.bmcl.2005.05.131 BindingDB Entry DOI: 10.7270/Q2WW7FVW
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50121035 (CHEMBL326342 | [(S)-1-((R)-4-(S)-Oxo-7-oxo-4lambda...) Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@H]2N(CCS2=O)C1=O)OCc1ccccc1 Show InChI InChI=1S/C22H23N3O5S/c26-19(24-18-20(27)25-11-12-31(29)21(18)25)17(13-15-7-3-1-4-8-15)23-22(28)30-14-16-9-5-2-6-10-16/h1-10,17-18,21H,11-14H2,(H,23,28)(H,24,26)/t17-,18+,21-,31?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
currently NAEJA Pharmaceutical Inc. Curated by ChEMBL					Assay Description Inhibition of Cbz-Phe-Arg-AMC binding to Cathepsin K cysteine protease				Bioorg Med Chem Lett 12: 3417-9 (2002) BindingDB Entry DOI: 10.7270/Q280520T
					More data for this Ligand-Target Pair

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