Compile Data Set for Download or QSAR

Found 175 hits Enz. Inhib. hit(s) with all data for entry = 1574   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cathepsin K (Homo sapiens (Human))	BDBM331621 (N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...) Show SMILES CCc1cc(ccn1)-c1ccc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12 Show InChI InChI=1S/C26H30ClN3O4S/c1-2-17-12-16(10-11-28-17)20-8-9-21(35-20)25(32)29-22(15-6-4-3-5-7-15)26(33)30-13-18(27)24-23(30)19(31)14-34-24/h8-12,15,18,22-24H,2-7,13-14H2,1H3,(H,29,32)/t18-,22-,23+,24+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GRUNENTHAL GMBH US Patent					Assay Description Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...				US Patent US9725459 (2017) BindingDB Entry DOI: 10.7270/Q2JH3P8R
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM331540 (N-((S)-2-((3aS,6S,6aS)-6-chloro-3-oxotetrahydro-2H...) Show SMILES O[C@H]1CO[C@@H]2[C@@H](Cl)CN([C@H]12)C(=O)[C@@H](NC(=O)c1ccc(s1)-c1ccncc1)C1CCCCC1 |r| Show InChI InChI=1S/C24H28ClN3O4S/c25-16-12-28(21-17(29)13-32-22(16)21)24(31)20(15-4-2-1-3-5-15)27-23(30)19-7-6-18(33-19)14-8-10-26-11-9-14/h6-11,15-17,20-22,29H,1-5,12-13H2,(H,27,30)/t16-,17-,20-,21+,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GRUNENTHAL GMBH US Patent					Assay Description Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...				US Patent US9725459 (2017) BindingDB Entry DOI: 10.7270/Q2JH3P8R
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM331622 (N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...) Show SMILES CCc1cc(ccn1)-c1cnc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12 Show InChI InChI=1S/C25H29ClN4O4S/c1-2-16-10-15(8-9-27-16)19-11-28-24(35-19)23(32)29-20(14-6-4-3-5-7-14)25(33)30-12-17(26)22-21(30)18(31)13-34-22/h8-11,14,17,20-22H,2-7,12-13H2,1H3,(H,29,32)/t17-,20-,21+,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GRUNENTHAL GMBH US Patent					Assay Description Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...				US Patent US9725459 (2017) BindingDB Entry DOI: 10.7270/Q2JH3P8R
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM331568 (N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...) Show SMILES Cc1cc(ccn1)-c1ccc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12 Show InChI InChI=1S/C25H28ClN3O4S/c1-14-11-16(9-10-27-14)19-7-8-20(34-19)24(31)28-21(15-5-3-2-4-6-15)25(32)29-12-17(26)23-22(29)18(30)13-33-23/h7-11,15,17,21-23H,2-6,12-13H2,1H3,(H,28,31)/t17-,21-,22+,23+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GRUNENTHAL GMBH US Patent					Assay Description Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...				US Patent US9725459 (2017) BindingDB Entry DOI: 10.7270/Q2JH3P8R
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM331539 (N-((S)-2-((3aS,6S,6aS)-6-chloro-3-oxotetrahydro-2H...) Show SMILES O[C@H]1CO[C@@H]2[C@@H](Cl)CN([C@H]12)C(=O)[C@@H](NC(=O)c1ccc(s1)-c1cccnc1)C1CCCCC1 |r| Show InChI InChI=1S/C24H28ClN3O4S/c25-16-12-28(21-17(29)13-32-22(16)21)24(31)20(14-5-2-1-3-6-14)27-23(30)19-9-8-18(33-19)15-7-4-10-26-11-15/h4,7-11,14,16-17,20-22,29H,1-3,5-6,12-13H2,(H,27,30)/t16-,17-,20-,21+,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GRUNENTHAL GMBH US Patent					Assay Description Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...				US Patent US9725459 (2017) BindingDB Entry DOI: 10.7270/Q2JH3P8R
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM331620 (N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...) Show SMILES CCc1cc(cnn1)-c1ccc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12 Show InChI InChI=1S/C25H29ClN4O4S/c1-2-16-10-15(11-27-29-16)19-8-9-20(35-19)24(32)28-21(14-6-4-3-5-7-14)25(33)30-12-17(26)23-22(30)18(31)13-34-23/h8-11,14,17,21-23H,2-7,12-13H2,1H3,(H,28,32)/t17-,21-,22+,23+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GRUNENTHAL GMBH US Patent					Assay Description Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...				US Patent US9725459 (2017) BindingDB Entry DOI: 10.7270/Q2JH3P8R
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM331566 (N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...) Show SMILES Fc1cnccc1-c1ccc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12 Show InChI InChI=1S/C24H25ClFN3O4S/c25-15-11-29(21-17(30)12-33-22(15)21)24(32)20(13-4-2-1-3-5-13)28-23(31)19-7-6-18(34-19)14-8-9-27-10-16(14)26/h6-10,13,15,20-22H,1-5,11-12H2,(H,28,31)/t15-,20-,21+,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GRUNENTHAL GMBH US Patent					Assay Description Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...				US Patent US9725459 (2017) BindingDB Entry DOI: 10.7270/Q2JH3P8R
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM331620 (N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...) Show SMILES CCc1cc(cnn1)-c1ccc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12 Show InChI InChI=1S/C25H29ClN4O4S/c1-2-16-10-15(11-27-29-16)19-8-9-20(35-19)24(32)28-21(14-6-4-3-5-7-14)25(33)30-12-17(26)23-22(30)18(31)13-34-23/h8-11,14,17,21-23H,2-7,12-13H2,1H3,(H,28,32)/t17-,21-,22+,23+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GRUNENTHAL GMBH US Patent					Assay Description Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...				US Patent US9725459 (2017) BindingDB Entry DOI: 10.7270/Q2JH3P8R
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM331591 (N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...) Show SMILES COc1cc(ccn1)-c1ccc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12 Show InChI InChI=1S/C25H28ClN3O5S/c1-33-20-11-15(9-10-27-20)18-7-8-19(35-18)24(31)28-21(14-5-3-2-4-6-14)25(32)29-12-16(26)23-22(29)17(30)13-34-23/h7-11,14,16,21-23H,2-6,12-13H2,1H3,(H,28,31)/t16-,21-,22+,23+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GRUNENTHAL GMBH US Patent					Assay Description Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...				US Patent US9725459 (2017) BindingDB Entry DOI: 10.7270/Q2JH3P8R
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM331586 (N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...) Show SMILES Cc1cc(ccn1)-c1cnc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12 Show InChI InChI=1S/C24H27ClN4O4S/c1-13-9-15(7-8-26-13)18-10-27-23(34-18)22(31)28-19(14-5-3-2-4-6-14)24(32)29-11-16(25)21-20(29)17(30)12-33-21/h7-10,14,16,19-21H,2-6,11-12H2,1H3,(H,28,31)/t16-,19-,20+,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GRUNENTHAL GMBH US Patent					Assay Description Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...				US Patent US9725459 (2017) BindingDB Entry DOI: 10.7270/Q2JH3P8R
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM331618 (N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...) Show SMILES Cc1ncccc1-c1ccc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12 Show InChI InChI=1S/C25H28ClN3O4S/c1-14-16(8-5-11-27-14)19-9-10-20(34-19)24(31)28-21(15-6-3-2-4-7-15)25(32)29-12-17(26)23-22(29)18(30)13-33-23/h5,8-11,15,17,21-23H,2-4,6-7,12-13H2,1H3,(H,28,31)/t17-,21-,22+,23+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GRUNENTHAL GMBH US Patent					Assay Description Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...				US Patent US9725459 (2017) BindingDB Entry DOI: 10.7270/Q2JH3P8R
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM331609 (N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...) Show SMILES Cl[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1ccc(s1)-c1cc(cnn1)C1CC1)C1CCCCC1 Show InChI InChI=1S/C26H29ClN4O4S/c27-17-12-31(23-19(32)13-35-24(17)23)26(34)22(15-4-2-1-3-5-15)29-25(33)21-9-8-20(36-21)18-10-16(11-28-30-18)14-6-7-14/h8-11,14-15,17,22-24H,1-7,12-13H2,(H,29,33)/t17-,22-,23+,24+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GRUNENTHAL GMBH US Patent					Assay Description Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...				US Patent US9725459 (2017) BindingDB Entry DOI: 10.7270/Q2JH3P8R
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM331601 (N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...) Show SMILES Cl[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1ccc(s1)-c1ccnc(c1)C1CC1)C1CCCCC1 Show InChI InChI=1S/C27H30ClN3O4S/c28-18-13-31(24-20(32)14-35-25(18)24)27(34)23(16-4-2-1-3-5-16)30-26(33)22-9-8-21(36-22)17-10-11-29-19(12-17)15-6-7-15/h8-12,15-16,18,23-25H,1-7,13-14H2,(H,30,33)/t18-,23-,24+,25+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GRUNENTHAL GMBH US Patent					Assay Description Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...				US Patent US9725459 (2017) BindingDB Entry DOI: 10.7270/Q2JH3P8R
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM331580 (N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...) Show SMILES Cl[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1ncc(s1)-c1cccnc1)C1CCCCC1 Show InChI InChI=1S/C23H25ClN4O4S/c24-15-11-28(19-16(29)12-32-20(15)19)23(31)18(13-5-2-1-3-6-13)27-21(30)22-26-10-17(33-22)14-7-4-8-25-9-14/h4,7-10,13,15,18-20H,1-3,5-6,11-12H2,(H,27,30)/t15-,18-,19+,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GRUNENTHAL GMBH US Patent					Assay Description Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...				US Patent US9725459 (2017) BindingDB Entry DOI: 10.7270/Q2JH3P8R
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM331606 (N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...) Show SMILES COc1cc(cnn1)-c1ccc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12 Show InChI InChI=1S/C24H27ClN4O5S/c1-33-19-9-14(10-26-28-19)17-7-8-18(35-17)23(31)27-20(13-5-3-2-4-6-13)24(32)29-11-15(25)22-21(29)16(30)12-34-22/h7-10,13,15,20-22H,2-6,11-12H2,1H3,(H,27,31)/t15-,20-,21+,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GRUNENTHAL GMBH US Patent					Assay Description Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...				US Patent US9725459 (2017) BindingDB Entry DOI: 10.7270/Q2JH3P8R
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM331604 (N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...) Show SMILES Cc1cc(cnn1)-c1ccc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12 Show InChI InChI=1S/C24H27ClN4O4S/c1-13-9-15(10-26-28-13)18-7-8-19(34-18)23(31)27-20(14-5-3-2-4-6-14)24(32)29-11-16(25)22-21(29)17(30)12-33-22/h7-10,14,16,20-22H,2-6,11-12H2,1H3,(H,27,31)/t16-,20-,21+,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GRUNENTHAL GMBH US Patent					Assay Description Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...				US Patent US9725459 (2017) BindingDB Entry DOI: 10.7270/Q2JH3P8R
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM331564 (N-((S)-2-((3aS,6S,6aS)-6-chloro-3-oxotetrahydro-2H...) Show SMILES Cc1nccc(n1)-c1ccc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12 Show InChI InChI=1S/C24H27ClN4O4S/c1-13-26-10-9-16(27-13)18-7-8-19(34-18)23(31)28-20(14-5-3-2-4-6-14)24(32)29-11-15(25)22-21(29)17(30)12-33-22/h7-10,14-15,20-22H,2-6,11-12H2,1H3,(H,28,31)/t15-,20-,21+,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GRUNENTHAL GMBH US Patent					Assay Description Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...				US Patent US9725459 (2017) BindingDB Entry DOI: 10.7270/Q2JH3P8R
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM331581 (N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...) Show SMILES Cl[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1ncc(s1)-c1ccccn1)C1CCCCC1 Show InChI InChI=1S/C23H25ClN4O4S/c24-14-11-28(19-16(29)12-32-20(14)19)23(31)18(13-6-2-1-3-7-13)27-21(30)22-26-10-17(33-22)15-8-4-5-9-25-15/h4-5,8-10,13-14,18-20H,1-3,6-7,11-12H2,(H,27,30)/t14-,18-,19+,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GRUNENTHAL GMBH US Patent					Assay Description Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...				US Patent US9725459 (2017) BindingDB Entry DOI: 10.7270/Q2JH3P8R
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM331617 (N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...) Show SMILES Cl[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1ncc(s1)-c1ccnc(c1)C1CC1)C1CCCCC1 Show InChI InChI=1S/C26H29ClN4O4S/c27-17-12-31(22-19(32)13-35-23(17)22)26(34)21(15-4-2-1-3-5-15)30-24(33)25-29-11-20(36-25)16-8-9-28-18(10-16)14-6-7-14/h8-11,14-15,17,21-23H,1-7,12-13H2,(H,30,33)/t17-,21-,22+,23+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GRUNENTHAL GMBH US Patent					Assay Description Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...				US Patent US9725459 (2017) BindingDB Entry DOI: 10.7270/Q2JH3P8R
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM331604 (N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...) Show SMILES Cc1cc(cnn1)-c1ccc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12 Show InChI InChI=1S/C24H27ClN4O4S/c1-13-9-15(10-26-28-13)18-7-8-19(34-18)23(31)27-20(14-5-3-2-4-6-14)24(32)29-11-16(25)22-21(29)17(30)12-33-22/h7-10,14,16,20-22H,2-6,11-12H2,1H3,(H,27,31)/t16-,20-,21+,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GRUNENTHAL GMBH US Patent					Assay Description Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...				US Patent US9725459 (2017) BindingDB Entry DOI: 10.7270/Q2JH3P8R
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM331584 (N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...) Show SMILES Cl[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1ncc(s1)-c1ccncc1)C1CCCCC1 Show InChI InChI=1S/C23H25ClN4O4S/c24-15-11-28(19-16(29)12-32-20(15)19)23(31)18(14-4-2-1-3-5-14)27-21(30)22-26-10-17(33-22)13-6-8-25-9-7-13/h6-10,14-15,18-20H,1-5,11-12H2,(H,27,30)/t15-,18-,19+,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GRUNENTHAL GMBH US Patent					Assay Description Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...				US Patent US9725459 (2017) BindingDB Entry DOI: 10.7270/Q2JH3P8R
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM331625 (N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...) Show SMILES Cc1cnncc1-c1ccc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12 Show InChI InChI=1S/C24H27ClN4O4S/c1-13-9-26-27-10-15(13)18-7-8-19(34-18)23(31)28-20(14-5-3-2-4-6-14)24(32)29-11-16(25)22-21(29)17(30)12-33-22/h7-10,14,16,20-22H,2-6,11-12H2,1H3,(H,28,31)/t16-,20-,21+,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GRUNENTHAL GMBH US Patent					Assay Description Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...				US Patent US9725459 (2017) BindingDB Entry DOI: 10.7270/Q2JH3P8R
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM331565 (N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...) Show SMILES Cc1ncc(cn1)-c1ccc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12 Show InChI InChI=1S/C24H27ClN4O4S/c1-13-26-9-15(10-27-13)18-7-8-19(34-18)23(31)28-20(14-5-3-2-4-6-14)24(32)29-11-16(25)22-21(29)17(30)12-33-22/h7-10,14,16,20-22H,2-6,11-12H2,1H3,(H,28,31)/t16-,20-,21+,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GRUNENTHAL GMBH US Patent					Assay Description Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...				US Patent US9725459 (2017) BindingDB Entry DOI: 10.7270/Q2JH3P8R
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM331543 (N-((S)-2-((3aS,6S,6aS)-6-chloro-3-oxotetrahydro-2H...) Show SMILES Cl[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1ccc(s1)-c1cccnn1)C1CCCCC1 Show InChI InChI=1S/C23H25ClN4O4S/c24-14-11-28(20-16(29)12-32-21(14)20)23(31)19(13-5-2-1-3-6-13)26-22(30)18-9-8-17(33-18)15-7-4-10-25-27-15/h4,7-10,13-14,19-21H,1-3,5-6,11-12H2,(H,26,30)/t14-,19-,20+,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GRUNENTHAL GMBH US Patent					Assay Description Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...				US Patent US9725459 (2017) BindingDB Entry DOI: 10.7270/Q2JH3P8R
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM331616 (N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...) Show SMILES Cc1ncc(-c2ccc(s2)C(=O)N[C@@H](C2CCCCC2)C(=O)N2C[C@H](Cl)[C@H]3OCC(=O)[C@@H]23)c(C)n1 Show InChI InChI=1S/C25H29ClN4O4S/c1-13-16(10-27-14(2)28-13)19-8-9-20(35-19)24(32)29-21(15-6-4-3-5-7-15)25(33)30-11-17(26)23-22(30)18(31)12-34-23/h8-10,15,17,21-23H,3-7,11-12H2,1-2H3,(H,29,32)/t17-,21-,22+,23+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GRUNENTHAL GMBH US Patent					Assay Description Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...				US Patent US9725459 (2017) BindingDB Entry DOI: 10.7270/Q2JH3P8R
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM331585 (N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...) Show SMILES Fc1cnccc1-c1cnc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12 Show InChI InChI=1S/C23H24ClFN4O4S/c24-14-10-29(19-16(30)11-33-20(14)19)23(32)18(12-4-2-1-3-5-12)28-21(31)22-27-9-17(34-22)13-6-7-26-8-15(13)25/h6-9,12,14,18-20H,1-5,10-11H2,(H,28,31)/t14-,18-,19+,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GRUNENTHAL GMBH US Patent					Assay Description Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...				US Patent US9725459 (2017) BindingDB Entry DOI: 10.7270/Q2JH3P8R
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM331575 (N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...) Show SMILES Fc1cc(sc1-c1ccnnc1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12 Show InChI InChI=1S/C23H24ClFN4O4S/c24-14-10-29(19-16(30)11-33-20(14)19)23(32)18(12-4-2-1-3-5-12)28-22(31)17-8-15(25)21(34-17)13-6-7-26-27-9-13/h6-9,12,14,18-20H,1-5,10-11H2,(H,28,31)/t14-,18-,19+,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GRUNENTHAL GMBH US Patent					Assay Description Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...				US Patent US9725459 (2017) BindingDB Entry DOI: 10.7270/Q2JH3P8R
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM331544 (N-((S)-2-((3aS,6S,6aS)-6-chloro-3-oxotetrahydro-2H...) Show SMILES Cl[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1ccc(s1)-c1ccncn1)C1CCCCC1 Show InChI InChI=1S/C23H25ClN4O4S/c24-14-10-28(20-16(29)11-32-21(14)20)23(31)19(13-4-2-1-3-5-13)27-22(30)18-7-6-17(33-18)15-8-9-25-12-26-15/h6-9,12-14,19-21H,1-5,10-11H2,(H,27,30)/t14-,19-,20+,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GRUNENTHAL GMBH US Patent					Assay Description Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...				US Patent US9725459 (2017) BindingDB Entry DOI: 10.7270/Q2JH3P8R
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM331552 (N-((S)-2-((3aS,6S,6aS)-6-chloro-3-oxotetrahydro-2H...) Show SMILES Fc1cncc(c1)-c1ccc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12 Show InChI InChI=1S/C24H25ClFN3O4S/c25-16-11-29(21-17(30)12-33-22(16)21)24(32)20(13-4-2-1-3-5-13)28-23(31)19-7-6-18(34-19)14-8-15(26)10-27-9-14/h6-10,13,16,20-22H,1-5,11-12H2,(H,28,31)/t16-,20-,21+,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GRUNENTHAL GMBH US Patent					Assay Description Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...				US Patent US9725459 (2017) BindingDB Entry DOI: 10.7270/Q2JH3P8R
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM331624 (N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...) Show SMILES Cc1cc(-c2ccc(s2)C(=O)N[C@@H](C2CCCCC2)C(=O)N2C[C@H](Cl)[C@H]3OCC(=O)[C@@H]23)c(C)nn1 Show InChI InChI=1S/C25H29ClN4O4S/c1-13-10-16(14(2)29-28-13)19-8-9-20(35-19)24(32)27-21(15-6-4-3-5-7-15)25(33)30-11-17(26)23-22(30)18(31)12-34-23/h8-10,15,17,21-23H,3-7,11-12H2,1-2H3,(H,27,32)/t17-,21-,22+,23+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GRUNENTHAL GMBH US Patent					Assay Description Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...				US Patent US9725459 (2017) BindingDB Entry DOI: 10.7270/Q2JH3P8R
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM331608 (N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...) Show SMILES CCc1cnnc(c1)-c1ccc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12 Show InChI InChI=1S/C25H29ClN4O4S/c1-2-14-10-17(29-27-11-14)19-8-9-20(35-19)24(32)28-21(15-6-4-3-5-7-15)25(33)30-12-16(26)23-22(30)18(31)13-34-23/h8-11,15-16,21-23H,2-7,12-13H2,1H3,(H,28,32)/t16-,21-,22+,23+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GRUNENTHAL GMBH US Patent					Assay Description Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...				US Patent US9725459 (2017) BindingDB Entry DOI: 10.7270/Q2JH3P8R
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM331538 (N-((S)-2-((3aS,6S,6aS)-6-chloro-3-oxotetrahydro-2H...) Show SMILES O[C@H]1CO[C@@H]2[C@@H](Cl)CN([C@H]12)C(=O)[C@@H](NC(=O)c1ccc(s1)-c1ccccn1)C1CCCCC1 |r| Show InChI InChI=1S/C24H28ClN3O4S/c25-15-12-28(21-17(29)13-32-22(15)21)24(31)20(14-6-2-1-3-7-14)27-23(30)19-10-9-18(33-19)16-8-4-5-11-26-16/h4-5,8-11,14-15,17,20-22,29H,1-3,6-7,12-13H2,(H,27,30)/t15-,17-,20-,21+,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GRUNENTHAL GMBH US Patent					Assay Description Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...				US Patent US9725459 (2017) BindingDB Entry DOI: 10.7270/Q2JH3P8R
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM331541 (N-((S)-2-((3aS,6S,6aS)-6-chloro-3-oxotetrahydro-2H...) Show SMILES O[C@H]1CO[C@@H]2[C@@H](Cl)CN([C@H]12)C(=O)[C@@H](NC(=O)c1ccc(s1)-c1cnccn1)C1CCCCC1 |r| Show InChI InChI=1S/C23H27ClN4O4S/c24-14-11-28(20-16(29)12-32-21(14)20)23(31)19(13-4-2-1-3-5-13)27-22(30)18-7-6-17(33-18)15-10-25-8-9-26-15/h6-10,13-14,16,19-21,29H,1-5,11-12H2,(H,27,30)/t14-,16-,19-,20+,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GRUNENTHAL GMBH US Patent					Assay Description Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...				US Patent US9725459 (2017) BindingDB Entry DOI: 10.7270/Q2JH3P8R
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM331587 (N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...) Show SMILES Cl[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1ncc(s1)-c1ccc(Cl)nc1)C1CCCCC1 Show InChI InChI=1S/C23H24Cl2N4O4S/c24-14-10-29(19-15(30)11-33-20(14)19)23(32)18(12-4-2-1-3-5-12)28-21(31)22-27-9-16(34-22)13-6-7-17(25)26-8-13/h6-9,12,14,18-20H,1-5,10-11H2,(H,28,31)/t14-,18-,19+,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GRUNENTHAL GMBH US Patent					Assay Description Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...				US Patent US9725459 (2017) BindingDB Entry DOI: 10.7270/Q2JH3P8R
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM331577 (N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...) Show SMILES Cc1ccc(cn1)-c1cnc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12 Show InChI InChI=1S/C24H27ClN4O4S/c1-13-7-8-15(9-26-13)18-10-27-23(34-18)22(31)28-19(14-5-3-2-4-6-14)24(32)29-11-16(25)21-20(29)17(30)12-33-21/h7-10,14,16,19-21H,2-6,11-12H2,1H3,(H,28,31)/t16-,19-,20+,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GRUNENTHAL GMBH US Patent					Assay Description Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...				US Patent US9725459 (2017) BindingDB Entry DOI: 10.7270/Q2JH3P8R
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM331583 (N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...) Show SMILES Cl[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1ncc(s1)-c1cnccn1)C1CCCCC1 Show InChI InChI=1S/C22H24ClN5O4S/c23-13-10-28(18-15(29)11-32-19(13)18)22(31)17(12-4-2-1-3-5-12)27-20(30)21-26-9-16(33-21)14-8-24-6-7-25-14/h6-9,12-13,17-19H,1-5,10-11H2,(H,27,30)/t13-,17-,18+,19+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GRUNENTHAL GMBH US Patent					Assay Description Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...				US Patent US9725459 (2017) BindingDB Entry DOI: 10.7270/Q2JH3P8R
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM331563 (N-((S)-2-((3aS,6S,6aS)-6-chloro-3-oxotetrahydro-2H...) Show SMILES Cl[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1nnc(s1)-c1ccncc1)C1CCCCC1 Show InChI InChI=1S/C22H24ClN5O4S/c23-14-10-28(17-15(29)11-32-18(14)17)22(31)16(12-4-2-1-3-5-12)25-19(30)21-27-26-20(33-21)13-6-8-24-9-7-13/h6-9,12,14,16-18H,1-5,10-11H2,(H,25,30)/t14-,16-,17+,18+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GRUNENTHAL GMBH US Patent					Assay Description Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...				US Patent US9725459 (2017) BindingDB Entry DOI: 10.7270/Q2JH3P8R
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM331572 (N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...) Show SMILES Fc1cc(sc1-c1ccncn1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12 Show InChI InChI=1S/C23H24ClFN4O4S/c24-13-9-29(19-16(30)10-33-20(13)19)23(32)18(12-4-2-1-3-5-12)28-22(31)17-8-14(25)21(34-17)15-6-7-26-11-27-15/h6-8,11-13,18-20H,1-5,9-10H2,(H,28,31)/t13-,18-,19+,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GRUNENTHAL GMBH US Patent					Assay Description Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...				US Patent US9725459 (2017) BindingDB Entry DOI: 10.7270/Q2JH3P8R
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM331608 (N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...) Show SMILES CCc1cnnc(c1)-c1ccc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12 Show InChI InChI=1S/C25H29ClN4O4S/c1-2-14-10-17(29-27-11-14)19-8-9-20(35-19)24(32)28-21(15-6-4-3-5-7-15)25(33)30-12-16(26)23-22(30)18(31)13-34-23/h8-11,15-16,21-23H,2-7,12-13H2,1H3,(H,28,32)/t16-,21-,22+,23+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GRUNENTHAL GMBH US Patent					Assay Description Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...				US Patent US9725459 (2017) BindingDB Entry DOI: 10.7270/Q2JH3P8R
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM331579 (N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...) Show SMILES Cc1cnnc(c1)-c1ccc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12 Show InChI InChI=1S/C24H27ClN4O4S/c1-13-9-16(28-26-10-13)18-7-8-19(34-18)23(31)27-20(14-5-3-2-4-6-14)24(32)29-11-15(25)22-21(29)17(30)12-33-22/h7-10,14-15,20-22H,2-6,11-12H2,1H3,(H,27,31)/t15-,20-,21+,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GRUNENTHAL GMBH US Patent					Assay Description Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...				US Patent US9725459 (2017) BindingDB Entry DOI: 10.7270/Q2JH3P8R
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM331553 (N-((S)-2-((3aS,6S,6aS)-6-chloro-3-oxotetrahydro-2H...) Show SMILES Cl[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1ccc(s1)-c1ccc(Cl)nc1)C1CCCCC1 Show InChI InChI=1S/C24H25Cl2N3O4S/c25-15-11-29(21-16(30)12-33-22(15)21)24(32)20(13-4-2-1-3-5-13)28-23(31)18-8-7-17(34-18)14-6-9-19(26)27-10-14/h6-10,13,15,20-22H,1-5,11-12H2,(H,28,31)/t15-,20-,21+,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GRUNENTHAL GMBH US Patent					Assay Description Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...				US Patent US9725459 (2017) BindingDB Entry DOI: 10.7270/Q2JH3P8R
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM331569 (N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...) Show SMILES COc1ccc(nn1)-c1ccc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12 Show InChI InChI=1S/C24H27ClN4O5S/c1-33-19-10-7-15(27-28-19)17-8-9-18(35-17)23(31)26-20(13-5-3-2-4-6-13)24(32)29-11-14(25)22-21(29)16(30)12-34-22/h7-10,13-14,20-22H,2-6,11-12H2,1H3,(H,26,31)/t14-,20-,21+,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GRUNENTHAL GMBH US Patent					Assay Description Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...				US Patent US9725459 (2017) BindingDB Entry DOI: 10.7270/Q2JH3P8R
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM331619 (N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...) Show SMILES Cc1ccnnc1-c1ccc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12 Show InChI InChI=1S/C24H27ClN4O4S/c1-13-9-10-26-28-19(13)17-7-8-18(34-17)23(31)27-20(14-5-3-2-4-6-14)24(32)29-11-15(25)22-21(29)16(30)12-33-22/h7-10,14-15,20-22H,2-6,11-12H2,1H3,(H,27,31)/t15-,20-,21+,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GRUNENTHAL GMBH US Patent					Assay Description Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...				US Patent US9725459 (2017) BindingDB Entry DOI: 10.7270/Q2JH3P8R
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM331613 (N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...) Show SMILES CS(=O)(=O)c1cnnc(c1)-c1ccc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12 Show InChI InChI=1S/C24H27ClN4O6S2/c1-37(33,34)14-9-16(28-26-10-14)18-7-8-19(36-18)23(31)27-20(13-5-3-2-4-6-13)24(32)29-11-15(25)22-21(29)17(30)12-35-22/h7-10,13,15,20-22H,2-6,11-12H2,1H3,(H,27,31)/t15-,20-,21+,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GRUNENTHAL GMBH US Patent					Assay Description Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...				US Patent US9725459 (2017) BindingDB Entry DOI: 10.7270/Q2JH3P8R
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM331615 (N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...) Show SMILES Oc1cc(cnn1)-c1ccc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12 Show InChI InChI=1S/C23H25ClN4O5S/c24-14-10-28(20-15(29)11-33-21(14)20)23(32)19(12-4-2-1-3-5-12)26-22(31)17-7-6-16(34-17)13-8-18(30)27-25-9-13/h6-9,12,14,19-21H,1-5,10-11H2,(H,26,31)(H,27,30)/t14-,19-,20+,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GRUNENTHAL GMBH US Patent					Assay Description Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...				US Patent US9725459 (2017) BindingDB Entry DOI: 10.7270/Q2JH3P8R
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM331570 (N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...) Show SMILES Cc1ccc(nn1)-c1ccc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12 Show InChI InChI=1S/C24H27ClN4O4S/c1-13-7-8-16(28-27-13)18-9-10-19(34-18)23(31)26-20(14-5-3-2-4-6-14)24(32)29-11-15(25)22-21(29)17(30)12-33-22/h7-10,14-15,20-22H,2-6,11-12H2,1H3,(H,26,31)/t15-,20-,21+,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GRUNENTHAL GMBH US Patent					Assay Description Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...				US Patent US9725459 (2017) BindingDB Entry DOI: 10.7270/Q2JH3P8R
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM331545 (N-((S)-2-((3aS,6S,6aS)-6-chloro-3-oxotetrahydro-2H...) Show SMILES Cl[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1ccc(s1)-c1ccnnc1)C1CCCCC1 Show InChI InChI=1S/C23H25ClN4O4S/c24-15-11-28(20-16(29)12-32-21(15)20)23(31)19(13-4-2-1-3-5-13)27-22(30)18-7-6-17(33-18)14-8-9-25-26-10-14/h6-10,13,15,19-21H,1-5,11-12H2,(H,27,30)/t15-,19-,20+,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GRUNENTHAL GMBH US Patent					Assay Description Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...				US Patent US9725459 (2017) BindingDB Entry DOI: 10.7270/Q2JH3P8R
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM331546 (N-((S)-2-((3aS,6S,6aS)-6-chloro-3-oxotetrahydro-2H...) Show SMILES Cl[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1ccc(s1)-c1ncccn1)C1CCCCC1 Show InChI InChI=1S/C23H25ClN4O4S/c24-14-11-28(19-15(29)12-32-20(14)19)23(31)18(13-5-2-1-3-6-13)27-22(30)17-8-7-16(33-17)21-25-9-4-10-26-21/h4,7-10,13-14,18-20H,1-3,5-6,11-12H2,(H,27,30)/t14-,18-,19+,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GRUNENTHAL GMBH US Patent					Assay Description Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...				US Patent US9725459 (2017) BindingDB Entry DOI: 10.7270/Q2JH3P8R
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM331624 (N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...) Show SMILES Cc1cc(-c2ccc(s2)C(=O)N[C@@H](C2CCCCC2)C(=O)N2C[C@H](Cl)[C@H]3OCC(=O)[C@@H]23)c(C)nn1 Show InChI InChI=1S/C25H29ClN4O4S/c1-13-10-16(14(2)29-28-13)19-8-9-20(35-19)24(32)27-21(15-6-4-3-5-7-15)25(33)30-11-17(26)23-22(30)18(31)12-34-23/h8-10,15,17,21-23H,3-7,11-12H2,1-2H3,(H,27,32)/t17-,21-,22+,23+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GRUNENTHAL GMBH US Patent					Assay Description Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...				US Patent US9725459 (2017) BindingDB Entry DOI: 10.7270/Q2JH3P8R
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM331623 (N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...) Show SMILES Cc1cc(-c2ccc(s2)C(=O)N[C@@H](C2CCCCC2)C(=O)N2C[C@H](Cl)[C@H]3OCC(=O)[C@@H]23)c(C)cn1 Show InChI InChI=1S/C26H30ClN3O4S/c1-14-11-28-15(2)10-17(14)20-8-9-21(35-20)25(32)29-22(16-6-4-3-5-7-16)26(33)30-12-18(27)24-23(30)19(31)13-34-24/h8-11,16,18,22-24H,3-7,12-13H2,1-2H3,(H,29,32)/t18-,22-,23+,24+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GRUNENTHAL GMBH US Patent					Assay Description Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...				US Patent US9725459 (2017) BindingDB Entry DOI: 10.7270/Q2JH3P8R
					More data for this Ligand-Target Pair

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