Compile Data Set for Download or QSAR

Found 81 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 2357   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Procathepsin L (Homo sapiens (Human))	BDBM19716 ((2S)-3-cyclohexyl-N-[(2S)-4-methanesulfonyl-1-{[4-...) Show SMILES CS(=O)(=O)CC[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1 |r| Show InChI InChI=1S/C26H39F3N4O6S/c1-40(36,37)16-11-21(18-30-20-7-9-22(10-8-20)39-26(27,28)29)31-24(34)23(17-19-5-3-2-4-6-19)32-25(35)33-12-14-38-15-13-33/h7-10,19,21,23,30H,2-6,11-18H2,1H3,(H,31,34)(H,32,35)/t21-,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 16: 5112-7 (2006) Article DOI: 10.1016/j.bmcl.2006.07.033 BindingDB Entry DOI: 10.7270/Q29P2ZXR
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM19716 ((2S)-3-cyclohexyl-N-[(2S)-4-methanesulfonyl-1-{[4-...) Show SMILES CS(=O)(=O)CC[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1 |r| Show InChI InChI=1S/C26H39F3N4O6S/c1-40(36,37)16-11-21(18-30-20-7-9-22(10-8-20)39-26(27,28)29)31-24(34)23(17-19-5-3-2-4-6-19)32-25(35)33-12-14-38-15-13-33/h7-10,19,21,23,30H,2-6,11-18H2,1H3,(H,31,34)(H,32,35)/t21-,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	5	-49.3	n/a	n/a	n/a	n/a	n/a	5.5	37
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 16: 5112-7 (2006) Article DOI: 10.1016/j.bmcl.2006.07.033 BindingDB Entry DOI: 10.7270/Q29P2ZXR
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM19715 ((2S)-3-cyclohexyl-2-(morpholin-4-ylcarbonylamino)-...) Show SMILES CC[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1 |r| Show InChI InChI=1S/C25H37F3N4O4/c1-2-19(17-29-20-8-10-21(11-9-20)36-25(26,27)28)30-23(33)22(16-18-6-4-3-5-7-18)31-24(34)32-12-14-35-15-13-32/h8-11,18-19,22,29H,2-7,12-17H2,1H3,(H,30,33)(H,31,34)/t19-,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 16: 5112-7 (2006) Article DOI: 10.1016/j.bmcl.2006.07.033 BindingDB Entry DOI: 10.7270/Q29P2ZXR
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM19704 ((2S)-3-cyclohexyl-2-(furan-3-ylformamido)-N-(2-{[4...) Show SMILES FC(F)(F)Oc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)c2ccoc2)cc1 |r| Show InChI InChI=1S/C23H28F3N3O4/c24-23(25,26)33-19-8-6-18(7-9-19)27-11-12-28-22(31)20(14-16-4-2-1-3-5-16)29-21(30)17-10-13-32-15-17/h6-10,13,15-16,20,27H,1-5,11-12,14H2,(H,28,31)(H,29,30)/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6	-48.8	n/a	n/a	n/a	n/a	n/a	5.5	37
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 16: 5112-7 (2006) Article DOI: 10.1016/j.bmcl.2006.07.033 BindingDB Entry DOI: 10.7270/Q29P2ZXR
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM19700 ((2S)-3-cyclohexyl-N-(2-{[4-(trifluoromethoxy)pheny...) Show SMILES FC(F)(F)Oc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)c2ccc(o2)-c2cccc(c2)C(F)(F)F)cc1 |r| Show InChI InChI=1S/C30H31F6N3O4/c31-29(32,33)21-8-4-7-20(18-21)25-13-14-26(42-25)28(41)39-24(17-19-5-2-1-3-6-19)27(40)38-16-15-37-22-9-11-23(12-10-22)43-30(34,35)36/h4,7-14,18-19,24,37H,1-3,5-6,15-17H2,(H,38,40)(H,39,41)/t24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	11	-47.3	n/a	n/a	n/a	n/a	n/a	5.5	37
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 16: 5112-7 (2006) Article DOI: 10.1016/j.bmcl.2006.07.033 BindingDB Entry DOI: 10.7270/Q29P2ZXR
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM19714 ((2S)-3-cyclohexyl-2-(morpholin-4-ylcarbonylamino)-...) Show SMILES C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1 |r| Show InChI InChI=1S/C24H35F3N4O4/c1-17(16-28-19-7-9-20(10-8-19)35-24(25,26)27)29-22(32)21(15-18-5-3-2-4-6-18)30-23(33)31-11-13-34-14-12-31/h7-10,17-18,21,28H,2-6,11-16H2,1H3,(H,29,32)(H,30,33)/t17-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	11	-47.3	n/a	n/a	n/a	n/a	n/a	5.5	37
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 16: 5112-7 (2006) Article DOI: 10.1016/j.bmcl.2006.07.033 BindingDB Entry DOI: 10.7270/Q29P2ZXR
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM19726 ((2S)-3-cyclohexyl-N-[(2S)-1-(5-fluoro-3,3-dimethyl...) Show SMILES C[C@@H](CN1CC(C)(C)c2cc(F)ccc12)NC(=O)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1 |r| Show InChI InChI=1S/C27H41FN4O3/c1-19(17-32-18-27(2,3)22-16-21(28)9-10-24(22)32)29-25(33)23(15-20-7-5-4-6-8-20)30-26(34)31-11-13-35-14-12-31/h9-10,16,19-20,23H,4-8,11-15,17-18H2,1-3H3,(H,29,33)(H,30,34)/t19-,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	11	-47.3	n/a	n/a	n/a	n/a	n/a	5.5	37
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 16: 5112-7 (2006) Article DOI: 10.1016/j.bmcl.2006.07.033 BindingDB Entry DOI: 10.7270/Q29P2ZXR
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM19715 ((2S)-3-cyclohexyl-2-(morpholin-4-ylcarbonylamino)-...) Show SMILES CC[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1 |r| Show InChI InChI=1S/C25H37F3N4O4/c1-2-19(17-29-20-8-10-21(11-9-20)36-25(26,27)28)30-23(33)22(16-18-6-4-3-5-7-18)31-24(34)32-12-14-35-15-13-32/h8-11,18-19,22,29H,2-7,12-17H2,1H3,(H,30,33)(H,31,34)/t19-,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	11	-47.3	n/a	n/a	n/a	n/a	n/a	5.5	37
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 16: 5112-7 (2006) Article DOI: 10.1016/j.bmcl.2006.07.033 BindingDB Entry DOI: 10.7270/Q29P2ZXR
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM19722 ((2R)-3-(benzylsulfanyl)-2-(morpholin-4-ylcarbonyla...) Show SMILES C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CSCc1ccccc1)NC(=O)N1CCOCC1 |r| Show InChI InChI=1S/C25H31F3N4O4S/c1-18(15-29-20-7-9-21(10-8-20)36-25(26,27)28)30-23(33)22(17-37-16-19-5-3-2-4-6-19)31-24(34)32-11-13-35-14-12-32/h2-10,18,22,29H,11-17H2,1H3,(H,30,33)(H,31,34)/t18-,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	12	-47.0	n/a	n/a	n/a	n/a	n/a	5.5	37
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 16: 5112-7 (2006) Article DOI: 10.1016/j.bmcl.2006.07.033 BindingDB Entry DOI: 10.7270/Q29P2ZXR
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM19713 (arylaminoethyl amide deriv. 27 | oxan-4-yl N-[(1S)...) Show SMILES C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)OC1CCOCC1 |r| Show InChI InChI=1S/C25H36F3N3O5/c1-17(16-29-19-7-9-21(10-8-19)36-25(26,27)28)30-23(32)22(15-18-5-3-2-4-6-18)31-24(33)35-20-11-13-34-14-12-20/h7-10,17-18,20,22,29H,2-6,11-16H2,1H3,(H,30,32)(H,31,33)/t17-,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	12	-47.0	n/a	n/a	n/a	n/a	n/a	5.5	37
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 16: 5112-7 (2006) Article DOI: 10.1016/j.bmcl.2006.07.033 BindingDB Entry DOI: 10.7270/Q29P2ZXR
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM19712 ((2S)-3-cyclohexyl-2-(oxan-4-ylformamido)-N-[(2S)-1...) Show SMILES C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)C1CCOCC1 |r| Show InChI InChI=1S/C25H36F3N3O4/c1-17(16-29-20-7-9-21(10-8-20)35-25(26,27)28)30-24(33)22(15-18-5-3-2-4-6-18)31-23(32)19-11-13-34-14-12-19/h7-10,17-19,22,29H,2-6,11-16H2,1H3,(H,30,33)(H,31,32)/t17-,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	12	-47.0	n/a	n/a	n/a	n/a	n/a	5.5	37
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 16: 5112-7 (2006) Article DOI: 10.1016/j.bmcl.2006.07.033 BindingDB Entry DOI: 10.7270/Q29P2ZXR
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM19702 ((2S)-2-(1-benzofuran-2-ylformamido)-3-cyclohexyl-N...) Show SMILES FC(F)(F)Oc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)c2cc3ccccc3o2)cc1 |r| Show InChI InChI=1S/C27H30F3N3O4/c28-27(29,30)37-21-12-10-20(11-13-21)31-14-15-32-25(34)22(16-18-6-2-1-3-7-18)33-26(35)24-17-19-8-4-5-9-23(19)36-24/h4-5,8-13,17-18,22,31H,1-3,6-7,14-16H2,(H,32,34)(H,33,35)/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	17	-46.1	n/a	n/a	n/a	n/a	n/a	5.5	37
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 16: 5112-7 (2006) Article DOI: 10.1016/j.bmcl.2006.07.033 BindingDB Entry DOI: 10.7270/Q29P2ZXR
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM19707 ((2S)-3-cyclohexyl-2-[(2R)-oxolan-2-ylformamido]-N-...) Show SMILES C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H]1CCCO1 |r| Show InChI InChI=1S/C24H34F3N3O4/c1-16(15-28-18-9-11-19(12-10-18)34-24(25,26)27)29-22(31)20(14-17-6-3-2-4-7-17)30-23(32)21-8-5-13-33-21/h9-12,16-17,20-21,28H,2-8,13-15H2,1H3,(H,29,31)(H,30,32)/t16-,20-,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	18	-46.0	n/a	n/a	n/a	n/a	n/a	5.5	37
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 16: 5112-7 (2006) Article DOI: 10.1016/j.bmcl.2006.07.033 BindingDB Entry DOI: 10.7270/Q29P2ZXR
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM19709 ((2S)-3-cyclohexyl-2-(oxolan-3-ylformamido)-N-[(2S)...) Show SMILES C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)C1CCOC1 |r| Show InChI InChI=1S/C24H34F3N3O4/c1-16(14-28-19-7-9-20(10-8-19)34-24(25,26)27)29-23(32)21(13-17-5-3-2-4-6-17)30-22(31)18-11-12-33-15-18/h7-10,16-18,21,28H,2-6,11-15H2,1H3,(H,29,32)(H,30,31)/t16-,18?,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	21	-45.6	n/a	n/a	n/a	n/a	n/a	5.5	37
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 16: 5112-7 (2006) Article DOI: 10.1016/j.bmcl.2006.07.033 BindingDB Entry DOI: 10.7270/Q29P2ZXR
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM19723 ((2R)-2-(morpholin-4-ylcarbonylamino)-3-(phenylmeth...) Show SMILES C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CS(=O)(=O)Cc1ccccc1)NC(=O)N1CCOCC1 |r| Show InChI InChI=1S/C25H31F3N4O6S/c1-18(15-29-20-7-9-21(10-8-20)38-25(26,27)28)30-23(33)22(31-24(34)32-11-13-37-14-12-32)17-39(35,36)16-19-5-3-2-4-6-19/h2-10,18,22,29H,11-17H2,1H3,(H,30,33)(H,31,34)/t18-,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	32	-44.5	n/a	n/a	n/a	n/a	n/a	5.5	37
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 16: 5112-7 (2006) Article DOI: 10.1016/j.bmcl.2006.07.033 BindingDB Entry DOI: 10.7270/Q29P2ZXR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cathepsin S (Homo sapiens (Human))	BDBM19701 ((2S)-3-cyclohexyl-2-{[5-(3-fluorophenyl)furan-2-yl...) Show SMILES Fc1cccc(c1)-c1ccc(o1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCNc1ccc(OC(F)(F)F)cc1 |r| Show InChI InChI=1S/C29H31F4N3O4/c30-21-8-4-7-20(18-21)25-13-14-26(39-25)28(38)36-24(17-19-5-2-1-3-6-19)27(37)35-16-15-34-22-9-11-23(12-10-22)40-29(31,32)33/h4,7-14,18-19,24,34H,1-3,5-6,15-17H2,(H,35,37)(H,36,38)/t24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	34	-44.3	n/a	n/a	n/a	n/a	n/a	5.5	37
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 16: 5112-7 (2006) Article DOI: 10.1016/j.bmcl.2006.07.033 BindingDB Entry DOI: 10.7270/Q29P2ZXR
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM19711 ((3R)-oxolan-3-yl N-[(1S)-2-cyclohexyl-1-{[(2S)-1-{...) Show SMILES C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)O[C@@H]1CCOC1 |r| Show InChI InChI=1S/C24H34F3N3O5/c1-16(14-28-18-7-9-19(10-8-18)35-24(25,26)27)29-22(31)21(13-17-5-3-2-4-6-17)30-23(32)34-20-11-12-33-15-20/h7-10,16-17,20-21,28H,2-6,11-15H2,1H3,(H,29,31)(H,30,32)/t16-,20+,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	42	-43.8	n/a	n/a	n/a	n/a	n/a	5.5	37
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 16: 5112-7 (2006) Article DOI: 10.1016/j.bmcl.2006.07.033 BindingDB Entry DOI: 10.7270/Q29P2ZXR
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM19702 ((2S)-2-(1-benzofuran-2-ylformamido)-3-cyclohexyl-N...) Show SMILES FC(F)(F)Oc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)c2cc3ccccc3o2)cc1 |r| Show InChI InChI=1S/C27H30F3N3O4/c28-27(29,30)37-21-12-10-20(11-13-21)31-14-15-32-25(34)22(16-18-6-2-1-3-7-18)33-26(35)24-17-19-8-4-5-9-23(19)36-24/h4-5,8-13,17-18,22,31H,1-3,6-7,14-16H2,(H,32,34)(H,33,35)/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 16: 5112-7 (2006) Article DOI: 10.1016/j.bmcl.2006.07.033 BindingDB Entry DOI: 10.7270/Q29P2ZXR
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM19703 ((2S)-3-cyclohexyl-2-(furan-2-ylformamido)-N-(2-{[4...) Show SMILES FC(F)(F)Oc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)c2ccco2)cc1 |r| Show InChI InChI=1S/C23H28F3N3O4/c24-23(25,26)33-18-10-8-17(9-11-18)27-12-13-28-21(30)19(15-16-5-2-1-3-6-16)29-22(31)20-7-4-14-32-20/h4,7-11,14,16,19,27H,1-3,5-6,12-13,15H2,(H,28,30)(H,29,31)/t19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	47	-43.5	n/a	n/a	n/a	n/a	n/a	5.5	37
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 16: 5112-7 (2006) Article DOI: 10.1016/j.bmcl.2006.07.033 BindingDB Entry DOI: 10.7270/Q29P2ZXR
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM19710 ((3S)-oxolan-3-yl N-[(1S)-2-cyclohexyl-1-{[(2S)-1-{...) Show SMILES C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)O[C@H]1CCOC1 |r| Show InChI InChI=1S/C24H34F3N3O5/c1-16(14-28-18-7-9-19(10-8-18)35-24(25,26)27)29-22(31)21(13-17-5-3-2-4-6-17)30-23(32)34-20-11-12-33-15-20/h7-10,16-17,20-21,28H,2-6,11-15H2,1H3,(H,29,31)(H,30,32)/t16-,20-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	49	-43.4	n/a	n/a	n/a	n/a	n/a	5.5	37
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 16: 5112-7 (2006) Article DOI: 10.1016/j.bmcl.2006.07.033 BindingDB Entry DOI: 10.7270/Q29P2ZXR
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM19721 ((2S)-3-cyclopentyl-2-(morpholin-4-ylcarbonylamino)...) Show SMILES C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCC1)NC(=O)N1CCOCC1 |r| Show InChI InChI=1S/C23H33F3N4O4/c1-16(15-27-18-6-8-19(9-7-18)34-23(24,25)26)28-21(31)20(14-17-4-2-3-5-17)29-22(32)30-10-12-33-13-11-30/h6-9,16-17,20,27H,2-5,10-15H2,1H3,(H,28,31)(H,29,32)/t16-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	49	-43.4	n/a	n/a	n/a	n/a	n/a	5.5	37
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 16: 5112-7 (2006) Article DOI: 10.1016/j.bmcl.2006.07.033 BindingDB Entry DOI: 10.7270/Q29P2ZXR
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM19708 ((2S)-3-cyclohexyl-2-[(2S)-oxolan-2-ylformamido]-N-...) Show SMILES C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@@H]1CCCO1 |r| Show InChI InChI=1S/C24H34F3N3O4/c1-16(15-28-18-9-11-19(12-10-18)34-24(25,26)27)29-22(31)20(14-17-6-3-2-4-7-17)30-23(32)21-8-5-13-33-21/h9-12,16-17,20-21,28H,2-8,13-15H2,1H3,(H,29,31)(H,30,32)/t16-,20-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	53	-43.2	n/a	n/a	n/a	n/a	n/a	5.5	37
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 16: 5112-7 (2006) Article DOI: 10.1016/j.bmcl.2006.07.033 BindingDB Entry DOI: 10.7270/Q29P2ZXR
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM19713 (arylaminoethyl amide deriv. 27 | oxan-4-yl N-[(1S)...) Show SMILES C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)OC1CCOCC1 |r| Show InChI InChI=1S/C25H36F3N3O5/c1-17(16-29-19-7-9-21(10-8-19)36-25(26,27)28)30-23(32)22(15-18-5-3-2-4-6-18)31-24(33)35-20-11-13-34-14-12-20/h7-10,17-18,20,22,29H,2-6,11-16H2,1H3,(H,30,32)(H,31,33)/t17-,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 16: 5112-7 (2006) Article DOI: 10.1016/j.bmcl.2006.07.033 BindingDB Entry DOI: 10.7270/Q29P2ZXR
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM19724 ((2S)-3-cyclohexyl-N-[(2S)-1-(5-fluoro-2,3-dihydro-...) Show SMILES C[C@@H](CN1CCc2cc(F)ccc12)NC(=O)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1 |r| Show InChI InChI=1S/C25H37FN4O3/c1-18(17-30-10-9-20-16-21(26)7-8-23(20)30)27-24(31)22(15-19-5-3-2-4-6-19)28-25(32)29-11-13-33-14-12-29/h7-8,16,18-19,22H,2-6,9-15,17H2,1H3,(H,27,31)(H,28,32)/t18-,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	87	-41.9	n/a	n/a	n/a	n/a	n/a	5.5	37
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 16: 5112-7 (2006) Article DOI: 10.1016/j.bmcl.2006.07.033 BindingDB Entry DOI: 10.7270/Q29P2ZXR
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM19720 ((2S)-4,4-dimethyl-2-(morpholin-4-ylcarbonylamino)-...) Show SMILES C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC(C)(C)C)NC(=O)N1CCOCC1 |r| Show InChI InChI=1S/C22H33F3N4O4/c1-15(14-26-16-5-7-17(8-6-16)33-22(23,24)25)27-19(30)18(13-21(2,3)4)28-20(31)29-9-11-32-12-10-29/h5-8,15,18,26H,9-14H2,1-4H3,(H,27,30)(H,28,31)/t15-,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	93	-41.7	n/a	n/a	n/a	n/a	n/a	5.5	37
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 16: 5112-7 (2006) Article DOI: 10.1016/j.bmcl.2006.07.033 BindingDB Entry DOI: 10.7270/Q29P2ZXR
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM19717 ((2S)-3-cyclohexyl-2-(morpholin-4-ylcarbonylamino)-...) Show SMILES FC(F)(F)Oc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)N2CCOCC2)cc1 |r| Show InChI InChI=1S/C23H33F3N4O4/c24-23(25,26)34-19-8-6-18(7-9-19)27-10-11-28-21(31)20(16-17-4-2-1-3-5-17)29-22(32)30-12-14-33-15-13-30/h6-9,17,20,27H,1-5,10-16H2,(H,28,31)(H,29,32)/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	99	-41.6	n/a	n/a	n/a	n/a	n/a	5.5	37
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 16: 5112-7 (2006) Article DOI: 10.1016/j.bmcl.2006.07.033 BindingDB Entry DOI: 10.7270/Q29P2ZXR
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM19725 ((2S)-3-cyclohexyl-N-[(2S)-1-(5-fluoro-2,2-dimethyl...) Show SMILES C[C@@H](CN1c2ccc(F)cc2CC1(C)C)NC(=O)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1 |r| Show InChI InChI=1S/C27H41FN4O3/c1-19(18-32-24-10-9-22(28)16-21(24)17-27(32,2)3)29-25(33)23(15-20-7-5-4-6-8-20)30-26(34)31-11-13-35-14-12-31/h9-10,16,19-20,23H,4-8,11-15,17-18H2,1-3H3,(H,29,33)(H,30,34)/t19-,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	111	-41.3	n/a	n/a	n/a	n/a	n/a	5.5	37
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 16: 5112-7 (2006) Article DOI: 10.1016/j.bmcl.2006.07.033 BindingDB Entry DOI: 10.7270/Q29P2ZXR
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM19714 ((2S)-3-cyclohexyl-2-(morpholin-4-ylcarbonylamino)-...) Show SMILES C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1 |r| Show InChI InChI=1S/C24H35F3N4O4/c1-17(16-28-19-7-9-20(10-8-19)35-24(25,26)27)29-22(32)21(15-18-5-3-2-4-6-18)30-23(33)31-11-13-34-14-12-31/h7-10,17-18,21,28H,2-6,11-16H2,1H3,(H,29,32)(H,30,33)/t17-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	125	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 16: 5112-7 (2006) Article DOI: 10.1016/j.bmcl.2006.07.033 BindingDB Entry DOI: 10.7270/Q29P2ZXR
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM19715 ((2S)-3-cyclohexyl-2-(morpholin-4-ylcarbonylamino)-...) Show SMILES CC[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1 |r| Show InChI InChI=1S/C25H37F3N4O4/c1-2-19(17-29-20-8-10-21(11-9-20)36-25(26,27)28)30-23(33)22(16-18-6-4-3-5-7-18)31-24(34)32-12-14-35-15-13-32/h8-11,18-19,22,29H,2-7,12-17H2,1H3,(H,30,33)(H,31,34)/t19-,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 16: 5112-7 (2006) Article DOI: 10.1016/j.bmcl.2006.07.033 BindingDB Entry DOI: 10.7270/Q29P2ZXR
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM19716 ((2S)-3-cyclohexyl-N-[(2S)-4-methanesulfonyl-1-{[4-...) Show SMILES CS(=O)(=O)CC[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1 |r| Show InChI InChI=1S/C26H39F3N4O6S/c1-40(36,37)16-11-21(18-30-20-7-9-22(10-8-20)39-26(27,28)29)31-24(34)23(17-19-5-3-2-4-6-19)32-25(35)33-12-14-38-15-13-33/h7-10,19,21,23,30H,2-6,11-18H2,1H3,(H,31,34)(H,32,35)/t21-,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	139	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 16: 5112-7 (2006) Article DOI: 10.1016/j.bmcl.2006.07.033 BindingDB Entry DOI: 10.7270/Q29P2ZXR
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM19702 ((2S)-2-(1-benzofuran-2-ylformamido)-3-cyclohexyl-N...) Show SMILES FC(F)(F)Oc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)c2cc3ccccc3o2)cc1 |r| Show InChI InChI=1S/C27H30F3N3O4/c28-27(29,30)37-21-12-10-20(11-13-21)31-14-15-32-25(34)22(16-18-6-2-1-3-7-18)33-26(35)24-17-19-8-4-5-9-23(19)36-24/h4-5,8-13,17-18,22,31H,1-3,6-7,14-16H2,(H,32,34)(H,33,35)/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 16: 5112-7 (2006) Article DOI: 10.1016/j.bmcl.2006.07.033 BindingDB Entry DOI: 10.7270/Q29P2ZXR
					More data for this Ligand-Target Pair				3D Structure (docked)
Cathepsin S (Homo sapiens (Human))	BDBM19706 ((2S)-3-cyclohexyl-2-(oxolan-3-ylformamido)-N-(2-{[...) Show SMILES FC(F)(F)Oc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)C2CCOC2)cc1 |r| Show InChI InChI=1S/C23H32F3N3O4/c24-23(25,26)33-19-8-6-18(7-9-19)27-11-12-28-22(31)20(14-16-4-2-1-3-5-16)29-21(30)17-10-13-32-15-17/h6-9,16-17,20,27H,1-5,10-15H2,(H,28,31)(H,29,30)/t17?,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	213	-39.6	n/a	n/a	n/a	n/a	n/a	5.5	37
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 16: 5112-7 (2006) Article DOI: 10.1016/j.bmcl.2006.07.033 BindingDB Entry DOI: 10.7270/Q29P2ZXR
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM19719 ((2S)-4,4-dimethyl-2-(morpholin-4-ylcarbonylamino)-...) Show SMILES CC(C)(C)C[C@H](NC(=O)N1CCOCC1)C(=O)NCCNc1ccc(OC(F)(F)F)cc1 |r| Show InChI InChI=1S/C21H31F3N4O4/c1-20(2,3)14-17(27-19(30)28-10-12-31-13-11-28)18(29)26-9-8-25-15-4-6-16(7-5-15)32-21(22,23)24/h4-7,17,25H,8-14H2,1-3H3,(H,26,29)(H,27,30)/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	220	-39.5	n/a	n/a	n/a	n/a	n/a	5.5	37
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 16: 5112-7 (2006) Article DOI: 10.1016/j.bmcl.2006.07.033 BindingDB Entry DOI: 10.7270/Q29P2ZXR
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM19712 ((2S)-3-cyclohexyl-2-(oxan-4-ylformamido)-N-[(2S)-1...) Show SMILES C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)C1CCOCC1 |r| Show InChI InChI=1S/C25H36F3N3O4/c1-17(16-29-20-7-9-21(10-8-20)35-25(26,27)28)30-24(33)22(15-18-5-3-2-4-6-18)31-23(32)19-11-13-34-14-12-19/h7-10,17-19,22,29H,2-6,11-16H2,1H3,(H,30,33)(H,31,32)/t17-,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	232	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 16: 5112-7 (2006) Article DOI: 10.1016/j.bmcl.2006.07.033 BindingDB Entry DOI: 10.7270/Q29P2ZXR
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM19708 ((2S)-3-cyclohexyl-2-[(2S)-oxolan-2-ylformamido]-N-...) Show SMILES C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@@H]1CCCO1 |r| Show InChI InChI=1S/C24H34F3N3O4/c1-16(15-28-18-9-11-19(12-10-18)34-24(25,26)27)29-22(31)20(14-17-6-3-2-4-7-17)30-23(32)21-8-5-13-33-21/h9-12,16-17,20-21,28H,2-8,13-15H2,1H3,(H,29,31)(H,30,32)/t16-,20-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	331	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 16: 5112-7 (2006) Article DOI: 10.1016/j.bmcl.2006.07.033 BindingDB Entry DOI: 10.7270/Q29P2ZXR
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM19720 ((2S)-4,4-dimethyl-2-(morpholin-4-ylcarbonylamino)-...) Show SMILES C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC(C)(C)C)NC(=O)N1CCOCC1 |r| Show InChI InChI=1S/C22H33F3N4O4/c1-15(14-26-16-5-7-17(8-6-16)33-22(23,24)25)27-19(30)18(13-21(2,3)4)28-20(31)29-9-11-32-12-10-29/h5-8,15,18,26H,9-14H2,1-4H3,(H,27,30)(H,28,31)/t15-,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	461	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 16: 5112-7 (2006) Article DOI: 10.1016/j.bmcl.2006.07.033 BindingDB Entry DOI: 10.7270/Q29P2ZXR
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM19724 ((2S)-3-cyclohexyl-N-[(2S)-1-(5-fluoro-2,3-dihydro-...) Show SMILES C[C@@H](CN1CCc2cc(F)ccc12)NC(=O)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1 |r| Show InChI InChI=1S/C25H37FN4O3/c1-18(17-30-10-9-20-16-21(26)7-8-23(20)30)27-24(31)22(15-19-5-3-2-4-6-19)28-25(32)29-11-13-33-14-12-29/h7-8,16,18-19,22H,2-6,9-15,17H2,1H3,(H,27,31)(H,28,32)/t18-,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	512	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 16: 5112-7 (2006) Article DOI: 10.1016/j.bmcl.2006.07.033 BindingDB Entry DOI: 10.7270/Q29P2ZXR
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM19707 ((2S)-3-cyclohexyl-2-[(2R)-oxolan-2-ylformamido]-N-...) Show SMILES C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H]1CCCO1 |r| Show InChI InChI=1S/C24H34F3N3O4/c1-16(15-28-18-9-11-19(12-10-18)34-24(25,26)27)29-22(31)20(14-17-6-3-2-4-7-17)30-23(32)21-8-5-13-33-21/h9-12,16-17,20-21,28H,2-8,13-15H2,1H3,(H,29,31)(H,30,32)/t16-,20-,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	582	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 16: 5112-7 (2006) Article DOI: 10.1016/j.bmcl.2006.07.033 BindingDB Entry DOI: 10.7270/Q29P2ZXR
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM19710 ((3S)-oxolan-3-yl N-[(1S)-2-cyclohexyl-1-{[(2S)-1-{...) Show SMILES C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)O[C@H]1CCOC1 |r| Show InChI InChI=1S/C24H34F3N3O5/c1-16(14-28-18-7-9-19(10-8-18)35-24(25,26)27)29-22(31)21(13-17-5-3-2-4-6-17)30-23(32)34-20-11-12-33-15-20/h7-10,16-17,20-21,28H,2-6,11-15H2,1H3,(H,29,31)(H,30,32)/t16-,20-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	594	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 16: 5112-7 (2006) Article DOI: 10.1016/j.bmcl.2006.07.033 BindingDB Entry DOI: 10.7270/Q29P2ZXR
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM19705 ((2S)-3-cyclohexyl-2-[(2R)-oxolan-2-ylformamido]-N-...) Show SMILES FC(F)(F)Oc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)[C@H]2CCCO2)cc1 |r| Show InChI InChI=1S/C23H32F3N3O4/c24-23(25,26)33-18-10-8-17(9-11-18)27-12-13-28-21(30)19(15-16-5-2-1-3-6-16)29-22(31)20-7-4-14-32-20/h8-11,16,19-20,27H,1-7,12-15H2,(H,28,30)(H,29,31)/t19-,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	658	-36.7	n/a	n/a	n/a	n/a	n/a	5.5	37
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 16: 5112-7 (2006) Article DOI: 10.1016/j.bmcl.2006.07.033 BindingDB Entry DOI: 10.7270/Q29P2ZXR
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM19726 ((2S)-3-cyclohexyl-N-[(2S)-1-(5-fluoro-3,3-dimethyl...) Show SMILES C[C@@H](CN1CC(C)(C)c2cc(F)ccc12)NC(=O)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1 |r| Show InChI InChI=1S/C27H41FN4O3/c1-19(17-32-18-27(2,3)22-16-21(28)9-10-24(22)32)29-25(33)23(15-20-7-5-4-6-8-20)30-26(34)31-11-13-35-14-12-31/h9-10,16,19-20,23H,4-8,11-15,17-18H2,1-3H3,(H,29,33)(H,30,34)/t19-,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	810	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 16: 5112-7 (2006) Article DOI: 10.1016/j.bmcl.2006.07.033 BindingDB Entry DOI: 10.7270/Q29P2ZXR
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM19704 ((2S)-3-cyclohexyl-2-(furan-3-ylformamido)-N-(2-{[4...) Show SMILES FC(F)(F)Oc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)c2ccoc2)cc1 |r| Show InChI InChI=1S/C23H28F3N3O4/c24-23(25,26)33-19-8-6-18(7-9-19)27-11-12-28-22(31)20(14-16-4-2-1-3-5-16)29-21(30)17-10-13-32-15-17/h6-10,13,15-16,20,27H,1-5,11-12,14H2,(H,28,31)(H,29,30)/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	914	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 16: 5112-7 (2006) Article DOI: 10.1016/j.bmcl.2006.07.033 BindingDB Entry DOI: 10.7270/Q29P2ZXR
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM19725 ((2S)-3-cyclohexyl-N-[(2S)-1-(5-fluoro-2,2-dimethyl...) Show SMILES C[C@@H](CN1c2ccc(F)cc2CC1(C)C)NC(=O)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1 |r| Show InChI InChI=1S/C27H41FN4O3/c1-19(18-32-24-10-9-22(28)16-21(24)17-27(32,2)3)29-25(33)23(15-20-7-5-4-6-8-20)30-26(34)31-11-13-35-14-12-31/h9-10,16,19-20,23H,4-8,11-15,17-18H2,1-3H3,(H,29,33)(H,30,34)/t19-,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.06E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 16: 5112-7 (2006) Article DOI: 10.1016/j.bmcl.2006.07.033 BindingDB Entry DOI: 10.7270/Q29P2ZXR
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM19703 ((2S)-3-cyclohexyl-2-(furan-2-ylformamido)-N-(2-{[4...) Show SMILES FC(F)(F)Oc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)c2ccco2)cc1 |r| Show InChI InChI=1S/C23H28F3N3O4/c24-23(25,26)33-18-10-8-17(9-11-18)27-12-13-28-21(30)19(15-16-5-2-1-3-6-16)29-22(31)20-7-4-14-32-20/h4,7-11,14,16,19,27H,1-3,5-6,12-13,15H2,(H,28,30)(H,29,31)/t19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.15E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 16: 5112-7 (2006) Article DOI: 10.1016/j.bmcl.2006.07.033 BindingDB Entry DOI: 10.7270/Q29P2ZXR
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM19722 ((2R)-3-(benzylsulfanyl)-2-(morpholin-4-ylcarbonyla...) Show SMILES C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CSCc1ccccc1)NC(=O)N1CCOCC1 |r| Show InChI InChI=1S/C25H31F3N4O4S/c1-18(15-29-20-7-9-21(10-8-20)36-25(26,27)28)30-23(33)22(17-37-16-19-5-3-2-4-6-19)31-24(34)32-11-13-35-14-12-32/h2-10,18,22,29H,11-17H2,1H3,(H,30,33)(H,31,34)/t18-,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1.18E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 16: 5112-7 (2006) Article DOI: 10.1016/j.bmcl.2006.07.033 BindingDB Entry DOI: 10.7270/Q29P2ZXR
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM19719 ((2S)-4,4-dimethyl-2-(morpholin-4-ylcarbonylamino)-...) Show SMILES CC(C)(C)C[C@H](NC(=O)N1CCOCC1)C(=O)NCCNc1ccc(OC(F)(F)F)cc1 |r| Show InChI InChI=1S/C21H31F3N4O4/c1-20(2,3)14-17(27-19(30)28-10-12-31-13-11-28)18(29)26-9-8-25-15-4-6-16(7-5-15)32-21(22,23)24/h4-7,17,25H,8-14H2,1-3H3,(H,26,29)(H,27,30)/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.33E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 16: 5112-7 (2006) Article DOI: 10.1016/j.bmcl.2006.07.033 BindingDB Entry DOI: 10.7270/Q29P2ZXR
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM19721 ((2S)-3-cyclopentyl-2-(morpholin-4-ylcarbonylamino)...) Show SMILES C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCC1)NC(=O)N1CCOCC1 |r| Show InChI InChI=1S/C23H33F3N4O4/c1-16(15-27-18-6-8-19(9-7-18)34-23(24,25)26)28-21(31)20(14-17-4-2-3-5-17)29-22(32)30-10-12-33-13-11-30/h6-9,16-17,20,27H,2-5,10-15H2,1H3,(H,28,31)(H,29,32)/t16-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.54E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 16: 5112-7 (2006) Article DOI: 10.1016/j.bmcl.2006.07.033 BindingDB Entry DOI: 10.7270/Q29P2ZXR
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM19714 ((2S)-3-cyclohexyl-2-(morpholin-4-ylcarbonylamino)-...) Show SMILES C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1 |r| Show InChI InChI=1S/C24H35F3N4O4/c1-17(16-28-19-7-9-20(10-8-19)35-24(25,26)27)29-22(32)21(15-18-5-3-2-4-6-18)30-23(33)31-11-13-34-14-12-31/h7-10,17-18,21,28H,2-6,11-16H2,1H3,(H,29,32)(H,30,33)/t17-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.66E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 16: 5112-7 (2006) Article DOI: 10.1016/j.bmcl.2006.07.033 BindingDB Entry DOI: 10.7270/Q29P2ZXR
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM19717 ((2S)-3-cyclohexyl-2-(morpholin-4-ylcarbonylamino)-...) Show SMILES FC(F)(F)Oc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)N2CCOCC2)cc1 |r| Show InChI InChI=1S/C23H33F3N4O4/c24-23(25,26)34-19-8-6-18(7-9-19)27-10-11-28-21(31)20(16-17-4-2-1-3-5-17)29-22(32)30-12-14-33-15-13-30/h6-9,17,20,27H,1-5,10-16H2,(H,28,31)(H,29,32)/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.11E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 16: 5112-7 (2006) Article DOI: 10.1016/j.bmcl.2006.07.033 BindingDB Entry DOI: 10.7270/Q29P2ZXR
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM19722 ((2R)-3-(benzylsulfanyl)-2-(morpholin-4-ylcarbonyla...) Show SMILES C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CSCc1ccccc1)NC(=O)N1CCOCC1 |r| Show InChI InChI=1S/C25H31F3N4O4S/c1-18(15-29-20-7-9-21(10-8-20)36-25(26,27)28)30-23(33)22(17-37-16-19-5-3-2-4-6-19)31-24(34)32-11-13-35-14-12-32/h2-10,18,22,29H,11-17H2,1H3,(H,30,33)(H,31,34)/t18-,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	2.48E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 16: 5112-7 (2006) Article DOI: 10.1016/j.bmcl.2006.07.033 BindingDB Entry DOI: 10.7270/Q29P2ZXR
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 81 total )  |  Next  |  Last  >>

Jump to: