Found 144 hits with Last Name = 'meulemans' and Initial = 't' 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)) | BDBM50331556
(2-chloro-N-(4-(1-methyl-1H-pyrazol-3-ylamino)-3,4-...)Show SMILES CC(NC(=O)c1ccc(OCc2ccccn2)c(c1Cl)C(F)(F)F)C(=O)C(=O)Nc1ccn(C)n1 Show InChI InChI=1S/C22H19ClF3N5O4/c1-12(19(32)21(34)29-16-8-10-31(2)30-16)28-20(33)14-6-7-15(17(18(14)23)22(24,25)26)35-11-13-5-3-4-9-27-13/h3-10,12H,11H2,1-2H3,(H,28,33)(H,29,30,34) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human cathepsin S by fluorescence assay |
Bioorg Med Chem Lett 20: 6890-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.012 BindingDB Entry DOI: 10.7270/Q20G3KD0 |
More data for this Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50331558
(CHEMBL1289536 | N-(1-amino-1,2-dioxopentan-3-yl)-2...)Show SMILES CCC(NC(=O)c1ccc(OCc2ccccn2)c(c1Cl)C(F)(F)F)C(=O)C(N)=O Show InChI InChI=1S/C19H17ClF3N3O4/c1-2-12(16(27)17(24)28)26-18(29)11-6-7-13(14(15(11)20)19(21,22)23)30-9-10-5-3-4-8-25-10/h3-8,12H,2,9H2,1H3,(H2,24,28)(H,26,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human cathepsin S by fluorescence assay |
Bioorg Med Chem Lett 20: 6890-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.012 BindingDB Entry DOI: 10.7270/Q20G3KD0 |
More data for this Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50331557
(2-chloro-N-(1-(1-methyl-1H-pyrazol-3-ylamino)-1,2-...)Show SMILES CCC(NC(=O)c1ccc(OCc2ccccn2)c(c1Cl)C(F)(F)F)C(=O)C(=O)Nc1ccn(C)n1 Show InChI InChI=1S/C23H21ClF3N5O4/c1-3-15(20(33)22(35)30-17-9-11-32(2)31-17)29-21(34)14-7-8-16(18(19(14)24)23(25,26)27)36-12-13-6-4-5-10-28-13/h4-11,15H,3,12H2,1-2H3,(H,29,34)(H,30,31,35) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human cathepsin S by fluorescence assay |
Bioorg Med Chem Lett 20: 6890-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.012 BindingDB Entry DOI: 10.7270/Q20G3KD0 |
More data for this Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50331575
(2-chloro-N-(1-(1-methyl-1H-pyrazol-3-ylamino)-1,2-...)Show SMILES CCCCC(NC(=O)c1ccc(OCc2ccccn2)c(c1Cl)C(F)(F)F)C(=O)C(=O)Nc1ccn(C)n1 Show InChI InChI=1S/C25H25ClF3N5O4/c1-3-4-8-17(22(35)24(37)32-19-11-13-34(2)33-19)31-23(36)16-9-10-18(20(21(16)26)25(27,28)29)38-14-15-7-5-6-12-30-15/h5-7,9-13,17H,3-4,8,14H2,1-2H3,(H,31,36)(H,32,33,37) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human cathepsin S by fluorescence assay |
Bioorg Med Chem Lett 20: 6890-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.012 BindingDB Entry DOI: 10.7270/Q20G3KD0 |
More data for this Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50331555
(CHEMBL1289305 | N-(1-(1H-pyrazol-3-ylamino)-1,2-di...)Show SMILES CCC(NC(=O)c1cccc(c1Cl)C(F)(F)F)C(=O)C(=O)Nc1ccn[nH]1 Show InChI InChI=1S/C16H14ClF3N4O3/c1-2-10(13(25)15(27)23-11-6-7-21-24-11)22-14(26)8-4-3-5-9(12(8)17)16(18,19)20/h3-7,10H,2H2,1H3,(H,22,26)(H2,21,23,24,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human cathepsin S by fluorescence assay |
Bioorg Med Chem Lett 20: 6890-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.012 BindingDB Entry DOI: 10.7270/Q20G3KD0 |
More data for this Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50331574
(2-chloro-N-(4-methyl-1-(1-methyl-1H-pyrazol-3-ylam...)Show SMILES CC(C)C(NC(=O)c1ccc(OCc2ccccn2)c(c1Cl)C(F)(F)F)C(=O)C(=O)Nc1ccn(C)n1 Show InChI InChI=1S/C24H23ClF3N5O4/c1-13(2)20(21(34)23(36)30-17-9-11-33(3)32-17)31-22(35)15-7-8-16(18(19(15)25)24(26,27)28)37-12-14-6-4-5-10-29-14/h4-11,13,20H,12H2,1-3H3,(H,31,35)(H,30,32,36) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human cathepsin S by fluorescence assay |
Bioorg Med Chem Lett 20: 6890-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.012 BindingDB Entry DOI: 10.7270/Q20G3KD0 |
More data for this Ligand-Target Pair | |
Cathepsin S
(Mus musculus (Mouse)) | BDBM50323257
(1-methyl-6-(4-(pyridin-2-ylmethoxy)-3-(trifluorome...)Show SMILES Cn1cnc2c(nc(cc12)-c1ccc(OCc2ccccn2)c(c1)C(F)(F)F)C#N Show InChI InChI=1S/C21H14F3N5O/c1-29-12-27-20-17(10-25)28-16(9-18(20)29)13-5-6-19(15(8-13)21(22,23)24)30-11-14-4-2-3-7-26-14/h2-9,12H,11H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of mouse cathepsin S by fluorescence assay |
Bioorg Med Chem Lett 20: 4350-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.072 BindingDB Entry DOI: 10.7270/Q2028RR9 |
More data for this Ligand-Target Pair | |
Cathepsin S
(Mus musculus (Mouse)) | BDBM50323247
(6-(4-(3-(dimethylamino)propoxy)-3-(trifluoromethyl...)Show SMILES CN(C)CCCOc1ccc(cc1C(F)(F)F)-c1cc2n(C)cnc2c(n1)C#N Show InChI InChI=1S/C20H20F3N5O/c1-27(2)7-4-8-29-18-6-5-13(9-14(18)20(21,22)23)15-10-17-19(16(11-24)26-15)25-12-28(17)3/h5-6,9-10,12H,4,7-8H2,1-3H3 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of mouse cathepsin S by fluorescence assay |
Bioorg Med Chem Lett 20: 4350-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.072 BindingDB Entry DOI: 10.7270/Q2028RR9 |
More data for this Ligand-Target Pair | |
Cathepsin S
(Mus musculus (Mouse)) | BDBM50323244
(6-(4-(3-(4-ethylpiperazin-1-yl)propoxy)-3-(trifluo...)Show SMILES CCN1CCN(CCCOc2ccc(cc2C(F)(F)F)-c2cc3n(C)cnc3c(n2)C#N)CC1 Show InChI InChI=1S/C24H27F3N6O/c1-3-32-8-10-33(11-9-32)7-4-12-34-22-6-5-17(13-18(22)24(25,26)27)19-14-21-23(20(15-28)30-19)29-16-31(21)2/h5-6,13-14,16H,3-4,7-12H2,1-2H3 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of mouse cathepsin S by fluorescence assay |
Bioorg Med Chem Lett 20: 4350-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.072 BindingDB Entry DOI: 10.7270/Q2028RR9 |
More data for this Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50331572
(CHEMBL1289423 | N-(4-(1H-pyrazol-3-ylamino)-3,4-di...)Show SMILES CCOc1ccc(C(=O)NC(C)C(=O)C(=O)Nc2ccn[nH]2)c(Cl)c1C(F)(F)F Show InChI InChI=1S/C17H16ClF3N4O4/c1-3-29-10-5-4-9(13(18)12(10)17(19,20)21)15(27)23-8(2)14(26)16(28)24-11-6-7-22-25-11/h4-8H,3H2,1-2H3,(H,23,27)(H2,22,24,25,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human cathepsin S by fluorescence assay |
Bioorg Med Chem Lett 20: 6890-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.012 BindingDB Entry DOI: 10.7270/Q20G3KD0 |
More data for this Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50323087
(2-(4-ethoxy-3-(trifluoromethyl)phenyl)-9H-purine-6...)Show SMILES CCOc1ccc(cc1C(F)(F)F)-c1nc(C#N)c2[nH]cnc2n1 Show InChI InChI=1S/C15H10F3N5O/c1-2-24-11-4-3-8(5-9(11)15(16,17)18)13-22-10(6-19)12-14(23-13)21-7-20-12/h3-5,7H,2H2,1H3,(H,20,21,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human cathepsin S by fluorescence assay |
Bioorg Med Chem Lett 20: 4350-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.072 BindingDB Entry DOI: 10.7270/Q2028RR9 |
More data for this Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50331573
(CHEMBL1289535 | N-(4-amino-3,4-dioxobutan-2-yl)-2-...)Show SMILES CC(NC(=O)c1ccc(OCc2ccccn2)c(c1Cl)C(F)(F)F)C(=O)C(N)=O Show InChI InChI=1S/C18H15ClF3N3O4/c1-9(15(26)16(23)27)25-17(28)11-5-6-12(13(14(11)19)18(20,21)22)29-8-10-4-2-3-7-24-10/h2-7,9H,8H2,1H3,(H2,23,27)(H,25,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human cathepsin S by fluorescence assay |
Bioorg Med Chem Lett 20: 6890-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.012 BindingDB Entry DOI: 10.7270/Q20G3KD0 |
More data for this Ligand-Target Pair | |
Cathepsin S
(Mus musculus (Mouse)) | BDBM50323244
(6-(4-(3-(4-ethylpiperazin-1-yl)propoxy)-3-(trifluo...)Show SMILES CCN1CCN(CCCOc2ccc(cc2C(F)(F)F)-c2cc3n(C)cnc3c(n2)C#N)CC1 Show InChI InChI=1S/C24H27F3N6O/c1-3-32-8-10-33(11-9-32)7-4-12-34-22-6-5-17(13-18(22)24(25,26)27)19-14-21-23(20(15-28)30-19)29-16-31(21)2/h5-6,13-14,16H,3-4,7-12H2,1-2H3 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of cathepsin S-mediated proteolytic cleavage of MHC2 associated invariant chain in mouse splenocytes assessed as accumulation of lip10 by ... |
Bioorg Med Chem Lett 20: 4350-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.072 BindingDB Entry DOI: 10.7270/Q2028RR9 |
More data for this Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50323244
(6-(4-(3-(4-ethylpiperazin-1-yl)propoxy)-3-(trifluo...)Show SMILES CCN1CCN(CCCOc2ccc(cc2C(F)(F)F)-c2cc3n(C)cnc3c(n2)C#N)CC1 Show InChI InChI=1S/C24H27F3N6O/c1-3-32-8-10-33(11-9-32)7-4-12-34-22-6-5-17(13-18(22)24(25,26)27)19-14-21-23(20(15-28)30-19)29-16-31(21)2/h5-6,13-14,16H,3-4,7-12H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human cathepsin S by fluorescence assay |
Bioorg Med Chem Lett 20: 4350-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.072 BindingDB Entry DOI: 10.7270/Q2028RR9 |
More data for this Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50323253
(1-methyl-6-(4-(2-(2-oxopyrrolidin-1-yl)ethoxy)-3-(...)Show SMILES Cn1cnc2c(nc(cc12)-c1ccc(OCCN2CCCC2=O)c(c1)C(F)(F)F)C#N Show InChI InChI=1S/C21H18F3N5O2/c1-28-12-26-20-16(11-25)27-15(10-17(20)28)13-4-5-18(14(9-13)21(22,23)24)31-8-7-29-6-2-3-19(29)30/h4-5,9-10,12H,2-3,6-8H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human cathepsin S by fluorescence assay |
Bioorg Med Chem Lett 20: 4350-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.072 BindingDB Entry DOI: 10.7270/Q2028RR9 |
More data for this Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50323248
(1-methyl-6-(4-(2-(3-oxopiperazin-1-yl)ethoxy)-3-(t...)Show SMILES Cn1cnc2c(nc(cc12)-c1ccc(OCCN2CCNC(=O)C2)c(c1)C(F)(F)F)C#N Show InChI InChI=1S/C21H19F3N6O2/c1-29-12-27-20-16(10-25)28-15(9-17(20)29)13-2-3-18(14(8-13)21(22,23)24)32-7-6-30-5-4-26-19(31)11-30/h2-3,8-9,12H,4-7,11H2,1H3,(H,26,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human cathepsin S by fluorescence assay |
Bioorg Med Chem Lett 20: 4350-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.072 BindingDB Entry DOI: 10.7270/Q2028RR9 |
More data for this Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50323250
(1-methyl-6-(4-(2-(piperidin-4-yl)ethoxy)-3-(triflu...)Show SMILES Cn1cnc2c(nc(cc12)-c1ccc(OCCC2CCNCC2)c(c1)C(F)(F)F)C#N Show InChI InChI=1S/C22H22F3N5O/c1-30-13-28-21-18(12-26)29-17(11-19(21)30)15-2-3-20(16(10-15)22(23,24)25)31-9-6-14-4-7-27-8-5-14/h2-3,10-11,13-14,27H,4-9H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 8.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human cathepsin S by fluorescence assay |
Bioorg Med Chem Lett 20: 4350-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.072 BindingDB Entry DOI: 10.7270/Q2028RR9 |
More data for this Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50331570
(2-chloro-N-(4-(1-methyl-1H-pyrazol-3-ylamino)-3,4-...)Show SMILES CC(NC(=O)c1cccc(c1Cl)C(F)(F)F)C(=O)C(=O)Nc1ccn(C)n1 Show InChI InChI=1S/C16H14ClF3N4O3/c1-8(13(25)15(27)22-11-6-7-24(2)23-11)21-14(26)9-4-3-5-10(12(9)17)16(18,19)20/h3-8H,1-2H3,(H,21,26)(H,22,23,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 8.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human cathepsin S by fluorescence assay |
Bioorg Med Chem Lett 20: 6890-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.012 BindingDB Entry DOI: 10.7270/Q20G3KD0 |
More data for this Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50331558
(CHEMBL1289536 | N-(1-amino-1,2-dioxopentan-3-yl)-2...)Show SMILES CCC(NC(=O)c1ccc(OCc2ccccn2)c(c1Cl)C(F)(F)F)C(=O)C(N)=O Show InChI InChI=1S/C19H17ClF3N3O4/c1-2-12(16(27)17(24)28)26-18(29)11-6-7-13(14(15(11)20)19(21,22)23)30-9-10-5-3-4-8-25-10/h3-8,12H,2,9H2,1H3,(H2,24,28)(H,26,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 8.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human cathepsin K by fluorescence assay |
Bioorg Med Chem Lett 20: 6890-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.012 BindingDB Entry DOI: 10.7270/Q20G3KD0 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cathepsin S
(Homo sapiens (Human)) | BDBM50323250
(1-methyl-6-(4-(2-(piperidin-4-yl)ethoxy)-3-(triflu...)Show SMILES Cn1cnc2c(nc(cc12)-c1ccc(OCCC2CCNCC2)c(c1)C(F)(F)F)C#N Show InChI InChI=1S/C22H22F3N5O/c1-30-13-28-21-18(12-26)29-17(11-19(21)30)15-2-3-20(16(10-15)22(23,24)25)31-9-6-14-4-7-27-8-5-14/h2-3,10-11,13-14,27H,4-9H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human cathepsin S by fluorescence assay |
Bioorg Med Chem Lett 20: 4350-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.072 BindingDB Entry DOI: 10.7270/Q2028RR9 |
More data for this Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50323245
(1-methyl-6-(4-(3-(4-methylpiperazin-1-yl)propoxy)-...)Show SMILES CN1CCN(CCCOc2ccc(cc2C(F)(F)F)-c2cc3n(C)cnc3c(n2)C#N)CC1 Show InChI InChI=1S/C23H25F3N6O/c1-30-7-9-32(10-8-30)6-3-11-33-21-5-4-16(12-17(21)23(24,25)26)18-13-20-22(19(14-27)29-18)28-15-31(20)2/h4-5,12-13,15H,3,6-11H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 9.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human cathepsin S by fluorescence assay |
Bioorg Med Chem Lett 20: 4350-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.072 BindingDB Entry DOI: 10.7270/Q2028RR9 |
More data for this Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50323255
(1-methyl-6-(4-(pyridin-4-ylmethoxy)-3-(trifluorome...)Show SMILES Cn1cnc2c(nc(cc12)-c1ccc(OCc2ccncc2)c(c1)C(F)(F)F)C#N Show InChI InChI=1S/C21H14F3N5O/c1-29-12-27-20-17(10-25)28-16(9-18(20)29)14-2-3-19(15(8-14)21(22,23)24)30-11-13-4-6-26-7-5-13/h2-9,12H,11H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human cathepsin S by fluorescence assay |
Bioorg Med Chem Lett 20: 4350-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.072 BindingDB Entry DOI: 10.7270/Q2028RR9 |
More data for this Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50331569
(2-chloro-N-(4-(5-methyl-1H-pyrazol-3-ylamino)-3,4-...)Show SMILES CC(NC(=O)c1cccc(c1Cl)C(F)(F)F)C(=O)C(=O)Nc1cc(C)n[nH]1 Show InChI InChI=1S/C16H14ClF3N4O3/c1-7-6-11(24-23-7)22-15(27)13(25)8(2)21-14(26)9-4-3-5-10(12(9)17)16(18,19)20/h3-6,8H,1-2H3,(H,21,26)(H2,22,23,24,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 10.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human cathepsin S by fluorescence assay |
Bioorg Med Chem Lett 20: 6890-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.012 BindingDB Entry DOI: 10.7270/Q20G3KD0 |
More data for this Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50323254
(1-methyl-6-(4-(2-(6-methylpyridin-2-yl)ethoxy)-3-(...)Show SMILES Cc1cccc(CCOc2ccc(cc2C(F)(F)F)-c2cc3n(C)cnc3c(n2)C#N)n1 Show InChI InChI=1S/C23H18F3N5O/c1-14-4-3-5-16(29-14)8-9-32-21-7-6-15(10-17(21)23(24,25)26)18-11-20-22(19(12-27)30-18)28-13-31(20)2/h3-7,10-11,13H,8-9H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human cathepsin S by fluorescence assay |
Bioorg Med Chem Lett 20: 4350-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.072 BindingDB Entry DOI: 10.7270/Q2028RR9 |
More data for this Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50331571
(CHEMBL1289422 | N-(4-amino-3,4-dioxobutan-2-yl)-2-...)Show SMILES CCOc1ccc(C(=O)NC(C)C(=O)C(N)=O)c(Cl)c1C(F)(F)F Show InChI InChI=1S/C14H14ClF3N2O4/c1-3-24-8-5-4-7(10(15)9(8)14(16,17)18)13(23)20-6(2)11(21)12(19)22/h4-6H,3H2,1-2H3,(H2,19,22)(H,20,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human cathepsin S by fluorescence assay |
Bioorg Med Chem Lett 20: 6890-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.012 BindingDB Entry DOI: 10.7270/Q20G3KD0 |
More data for this Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50331574
(2-chloro-N-(4-methyl-1-(1-methyl-1H-pyrazol-3-ylam...)Show SMILES CC(C)C(NC(=O)c1ccc(OCc2ccccn2)c(c1Cl)C(F)(F)F)C(=O)C(=O)Nc1ccn(C)n1 Show InChI InChI=1S/C24H23ClF3N5O4/c1-13(2)20(21(34)23(36)30-17-9-11-33(3)32-17)31-22(35)15-7-8-16(18(19(15)25)24(26,27)28)37-12-14-6-4-5-10-29-14/h4-11,13,20H,12H2,1-3H3,(H,31,35)(H,30,32,36) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 11.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human cathepsin K by fluorescence assay |
Bioorg Med Chem Lett 20: 6890-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.012 BindingDB Entry DOI: 10.7270/Q20G3KD0 |
More data for this Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50331555
(CHEMBL1289305 | N-(1-(1H-pyrazol-3-ylamino)-1,2-di...)Show SMILES CCC(NC(=O)c1cccc(c1Cl)C(F)(F)F)C(=O)C(=O)Nc1ccn[nH]1 Show InChI InChI=1S/C16H14ClF3N4O3/c1-2-10(13(25)15(27)23-11-6-7-21-24-11)22-14(26)8-4-3-5-9(12(8)17)16(18,19)20/h3-7,10H,2H2,1H3,(H,22,26)(H2,21,23,24,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 11.7 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human cathepsin K by fluorescence assay |
Bioorg Med Chem Lett 20: 6890-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.012 BindingDB Entry DOI: 10.7270/Q20G3KD0 |
More data for this Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50331556
(2-chloro-N-(4-(1-methyl-1H-pyrazol-3-ylamino)-3,4-...)Show SMILES CC(NC(=O)c1ccc(OCc2ccccn2)c(c1Cl)C(F)(F)F)C(=O)C(=O)Nc1ccn(C)n1 Show InChI InChI=1S/C22H19ClF3N5O4/c1-12(19(32)21(34)29-16-8-10-31(2)30-16)28-20(33)14-6-7-15(17(18(14)23)22(24,25)26)35-11-13-5-3-4-9-27-13/h3-10,12H,11H2,1-2H3,(H,28,33)(H,29,30,34) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 12.9 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human cathepsin K by fluorescence assay |
Bioorg Med Chem Lett 20: 6890-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.012 BindingDB Entry DOI: 10.7270/Q20G3KD0 |
More data for this Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50323256
(1-methyl-6-(4-(pyridin-3-ylmethoxy)-3-(trifluorome...)Show SMILES Cn1cnc2c(nc(cc12)-c1ccc(OCc2cccnc2)c(c1)C(F)(F)F)C#N Show InChI InChI=1S/C21H14F3N5O/c1-29-12-27-20-17(9-25)28-16(8-18(20)29)14-4-5-19(15(7-14)21(22,23)24)30-11-13-3-2-6-26-10-13/h2-8,10,12H,11H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human cathepsin S by fluorescence assay |
Bioorg Med Chem Lett 20: 4350-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.072 BindingDB Entry DOI: 10.7270/Q2028RR9 |
More data for this Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50323251
(1-methyl-6-(4-(piperidin-4-ylmethoxy)-3-(trifluoro...)Show SMILES Cn1cnc2c(nc(cc12)-c1ccc(OCC2CCNCC2)c(c1)C(F)(F)F)C#N Show InChI InChI=1S/C21H20F3N5O/c1-29-12-27-20-17(10-25)28-16(9-18(20)29)14-2-3-19(15(8-14)21(22,23)24)30-11-13-4-6-26-7-5-13/h2-3,8-9,12-13,26H,4-7,11H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human cathepsin S by fluorescence assay |
Bioorg Med Chem Lett 20: 4350-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.072 BindingDB Entry DOI: 10.7270/Q2028RR9 |
More data for this Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50331568
(CHEMBL1289193 | N-(4-(1H-pyrazol-3-ylamino)-3,4-di...)Show SMILES CC(NC(=O)c1cccc(c1Cl)C(F)(F)F)C(=O)C(=O)Nc1ccn[nH]1 Show InChI InChI=1S/C15H12ClF3N4O3/c1-7(12(24)14(26)22-10-5-6-20-23-10)21-13(25)8-3-2-4-9(11(8)16)15(17,18)19/h2-7H,1H3,(H,21,25)(H2,20,22,23,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 14.1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human cathepsin S by fluorescence assay |
Bioorg Med Chem Lett 20: 6890-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.012 BindingDB Entry DOI: 10.7270/Q20G3KD0 |
More data for this Ligand-Target Pair | |
Cathepsin L2
(Homo sapiens (Human)) | BDBM50331557
(2-chloro-N-(1-(1-methyl-1H-pyrazol-3-ylamino)-1,2-...)Show SMILES CCC(NC(=O)c1ccc(OCc2ccccn2)c(c1Cl)C(F)(F)F)C(=O)C(=O)Nc1ccn(C)n1 Show InChI InChI=1S/C23H21ClF3N5O4/c1-3-15(20(33)22(35)30-17-9-11-32(2)31-17)29-21(34)14-7-8-16(18(19(14)24)23(25,26)27)36-12-13-6-4-5-10-28-13/h4-11,15H,3,12H2,1-2H3,(H,29,34)(H,30,31,35) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 16.6 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human cathepsin V by fluorescence assay |
Bioorg Med Chem Lett 20: 6890-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.012 BindingDB Entry DOI: 10.7270/Q20G3KD0 |
More data for this Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50331564
(2-methyl-N-(1-oxobutan-2-yl)-3-(trifluoromethyl)be...)Show InChI InChI=1S/C13H14F3NO2/c1-3-9(7-18)17-12(19)10-5-4-6-11(8(10)2)13(14,15)16/h4-7,9H,3H2,1-2H3,(H,17,19) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human cathepsin S by fluorescence assay |
Bioorg Med Chem Lett 20: 6890-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.012 BindingDB Entry DOI: 10.7270/Q20G3KD0 |
More data for this Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50331553
(2-chloro-N-(4-(methylamino)-3,4-dioxobutan-2-yl)-4...)Show SMILES CNC(=O)C(=O)C(C)NC(=O)c1ccc(OCc2ccccn2)c(c1Cl)C(F)(F)F Show InChI InChI=1S/C19H17ClF3N3O4/c1-10(16(27)18(29)24-2)26-17(28)12-6-7-13(14(15(12)20)19(21,22)23)30-9-11-5-3-4-8-25-11/h3-8,10H,9H2,1-2H3,(H,24,29)(H,26,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 19.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human cathepsin S by fluorescence assay |
Bioorg Med Chem Lett 20: 6890-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.012 BindingDB Entry DOI: 10.7270/Q20G3KD0 |
More data for this Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50323257
(1-methyl-6-(4-(pyridin-2-ylmethoxy)-3-(trifluorome...)Show SMILES Cn1cnc2c(nc(cc12)-c1ccc(OCc2ccccn2)c(c1)C(F)(F)F)C#N Show InChI InChI=1S/C21H14F3N5O/c1-29-12-27-20-17(10-25)28-16(9-18(20)29)13-5-6-19(15(8-13)21(22,23)24)30-11-14-4-2-3-7-26-14/h2-9,12H,11H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human cathepsin S by fluorescence assay |
Bioorg Med Chem Lett 20: 4350-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.072 BindingDB Entry DOI: 10.7270/Q2028RR9 |
More data for this Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50331557
(2-chloro-N-(1-(1-methyl-1H-pyrazol-3-ylamino)-1,2-...)Show SMILES CCC(NC(=O)c1ccc(OCc2ccccn2)c(c1Cl)C(F)(F)F)C(=O)C(=O)Nc1ccn(C)n1 Show InChI InChI=1S/C23H21ClF3N5O4/c1-3-15(20(33)22(35)30-17-9-11-32(2)31-17)29-21(34)14-7-8-16(18(19(14)24)23(25,26)27)36-12-13-6-4-5-10-28-13/h4-11,15H,3,12H2,1-2H3,(H,29,34)(H,30,31,35) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 20.9 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human cathepsin K by fluorescence assay |
Bioorg Med Chem Lett 20: 6890-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.012 BindingDB Entry DOI: 10.7270/Q20G3KD0 |
More data for this Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50323258
(6-(4-(3-hydroxypropyl)-3-(trifluoromethyl)phenyl)-...)Show SMILES Cn1cnc2c(nc(cc12)-c1ccc(CCCO)c(c1)C(F)(F)F)C#N Show InChI InChI=1S/C18H15F3N4O/c1-25-10-23-17-15(9-22)24-14(8-16(17)25)12-5-4-11(3-2-6-26)13(7-12)18(19,20)21/h4-5,7-8,10,26H,2-3,6H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human cathepsin S by fluorescence assay |
Bioorg Med Chem Lett 20: 4350-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.072 BindingDB Entry DOI: 10.7270/Q2028RR9 |
More data for this Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50323271
(6-(4-ethoxy-3-(trifluoromethyl)phenyl)-1H-imidazo[...)Show SMILES CCOc1ccc(cc1C(F)(F)F)-c1cc2nc[nH]c2c(n1)C#N Show InChI InChI=1S/C16H11F3N4O/c1-2-24-14-4-3-9(5-10(14)16(17,18)19)11-6-12-15(22-8-21-12)13(7-20)23-11/h3-6,8H,2H2,1H3,(H,21,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human cathepsin S by fluorescence assay |
Bioorg Med Chem Lett 20: 4350-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.072 BindingDB Entry DOI: 10.7270/Q2028RR9 |
More data for this Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50331569
(2-chloro-N-(4-(5-methyl-1H-pyrazol-3-ylamino)-3,4-...)Show SMILES CC(NC(=O)c1cccc(c1Cl)C(F)(F)F)C(=O)C(=O)Nc1cc(C)n[nH]1 Show InChI InChI=1S/C16H14ClF3N4O3/c1-7-6-11(24-23-7)22-15(27)13(25)8(2)21-14(26)9-4-3-5-10(12(9)17)16(18,19)20/h3-6,8H,1-2H3,(H,21,26)(H2,22,23,24,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 26.3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human cathepsin K by fluorescence assay |
Bioorg Med Chem Lett 20: 6890-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.012 BindingDB Entry DOI: 10.7270/Q20G3KD0 |
More data for this Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50323261
(1-(3-(dimethylamino)propyl)-6-(4-ethoxy-3-(trifluo...)Show SMILES CCOc1ccc(cc1C(F)(F)F)-c1cc2n(CCCN(C)C)cnc2c(n1)C#N Show InChI InChI=1S/C21H22F3N5O/c1-4-30-19-7-6-14(10-15(19)21(22,23)24)16-11-18-20(17(12-25)27-16)26-13-29(18)9-5-8-28(2)3/h6-7,10-11,13H,4-5,8-9H2,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human cathepsin S by fluorescence assay |
Bioorg Med Chem Lett 20: 4350-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.072 BindingDB Entry DOI: 10.7270/Q2028RR9 |
More data for this Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50323246
(1-methyl-6-(4-(3-(pyrrolidin-1-yl)propoxy)-3-(trif...)Show SMILES Cn1cnc2c(nc(cc12)-c1ccc(OCCCN2CCCC2)c(c1)C(F)(F)F)C#N Show InChI InChI=1S/C22H22F3N5O/c1-29-14-27-21-18(13-26)28-17(12-19(21)29)15-5-6-20(16(11-15)22(23,24)25)31-10-4-9-30-7-2-3-8-30/h5-6,11-12,14H,2-4,7-10H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human cathepsin S by fluorescence assay |
Bioorg Med Chem Lett 20: 4350-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.072 BindingDB Entry DOI: 10.7270/Q2028RR9 |
More data for this Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50322925
(6-(4-(2-(2-oxopyrrolidin-1-yl)ethoxy)-3-(trifluoro...)Show SMILES FC(F)(F)c1cc(ccc1OCCN1CCCC1=O)-c1cccc(n1)C#N Show InChI InChI=1S/C19H16F3N3O2/c20-19(21,22)15-11-13(16-4-1-3-14(12-23)24-16)6-7-17(15)27-10-9-25-8-2-5-18(25)26/h1,3-4,6-7,11H,2,5,8-10H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human cathepsin S by fluorescence assay |
Bioorg Med Chem Lett 20: 4350-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.072 BindingDB Entry DOI: 10.7270/Q2028RR9 |
More data for this Ligand-Target Pair | |
Cathepsin L2
(Homo sapiens (Human)) | BDBM50331555
(CHEMBL1289305 | N-(1-(1H-pyrazol-3-ylamino)-1,2-di...)Show SMILES CCC(NC(=O)c1cccc(c1Cl)C(F)(F)F)C(=O)C(=O)Nc1ccn[nH]1 Show InChI InChI=1S/C16H14ClF3N4O3/c1-2-10(13(25)15(27)23-11-6-7-21-24-11)22-14(26)8-4-3-5-9(12(8)17)16(18,19)20/h3-7,10H,2H2,1H3,(H,22,26)(H2,21,23,24,27) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 29.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human cathepsin V by fluorescence assay |
Bioorg Med Chem Lett 20: 6890-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.012 BindingDB Entry DOI: 10.7270/Q20G3KD0 |
More data for this Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50331567
(CHEMBL1289192 | N-(4-amino-3,4-dioxobutan-2-yl)-2-...)Show InChI InChI=1S/C12H10ClF3N2O3/c1-5(9(19)10(17)20)18-11(21)6-3-2-4-7(8(6)13)12(14,15)16/h2-5H,1H3,(H2,17,20)(H,18,21) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 30.9 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human cathepsin S by fluorescence assay |
Bioorg Med Chem Lett 20: 6890-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.012 BindingDB Entry DOI: 10.7270/Q20G3KD0 |
More data for this Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50331562
(2-chloro-N-(1-oxobutan-2-yl)-3-(trifluoromethyl)be...)Show InChI InChI=1S/C12H11ClF3NO2/c1-2-7(6-18)17-11(19)8-4-3-5-9(10(8)13)12(14,15)16/h3-7H,2H2,1H3,(H,17,19) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human cathepsin S by fluorescence assay |
Bioorg Med Chem Lett 20: 6890-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.012 BindingDB Entry DOI: 10.7270/Q20G3KD0 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cathepsin S
(Homo sapiens (Human)) | BDBM50323263
(1-(2-(dimethylamino)ethyl)-6-(4-ethoxy-3-(trifluor...)Show SMILES CCOc1ccc(cc1C(F)(F)F)-c1cc2n(CCN(C)C)cnc2c(n1)C#N Show InChI InChI=1S/C20H20F3N5O/c1-4-29-18-6-5-13(9-14(18)20(21,22)23)15-10-17-19(16(11-24)26-15)25-12-28(17)8-7-27(2)3/h5-6,9-10,12H,4,7-8H2,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human cathepsin S by fluorescence assay |
Bioorg Med Chem Lett 20: 4350-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.072 BindingDB Entry DOI: 10.7270/Q2028RR9 |
More data for this Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50331562
(2-chloro-N-(1-oxobutan-2-yl)-3-(trifluoromethyl)be...)Show InChI InChI=1S/C12H11ClF3NO2/c1-2-7(6-18)17-11(19)8-4-3-5-9(10(8)13)12(14,15)16/h3-7H,2H2,1H3,(H,17,19) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human cathepsin K by fluorescence assay |
Bioorg Med Chem Lett 20: 6890-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.012 BindingDB Entry DOI: 10.7270/Q20G3KD0 |
More data for this Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50313461
(4-propyl-6-(3-(trifluoromethyl)phenyl)pyrimidine-2...)Show InChI InChI=1S/C15H12F3N3/c1-2-4-12-8-13(21-14(9-19)20-12)10-5-3-6-11(7-10)15(16,17)18/h3,5-8H,2,4H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human cathepsin K by fluorescence assay |
Bioorg Med Chem Lett 20: 6890-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.012 BindingDB Entry DOI: 10.7270/Q20G3KD0 |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Cathepsin K
(Homo sapiens (Human)) | BDBM50331570
(2-chloro-N-(4-(1-methyl-1H-pyrazol-3-ylamino)-3,4-...)Show SMILES CC(NC(=O)c1cccc(c1Cl)C(F)(F)F)C(=O)C(=O)Nc1ccn(C)n1 Show InChI InChI=1S/C16H14ClF3N4O3/c1-8(13(25)15(27)22-11-6-7-24(2)23-11)21-14(26)9-4-3-5-10(12(9)17)16(18,19)20/h3-8H,1-2H3,(H,21,26)(H,22,23,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 33.1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human cathepsin K by fluorescence assay |
Bioorg Med Chem Lett 20: 6890-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.012 BindingDB Entry DOI: 10.7270/Q20G3KD0 |
More data for this Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50323262
(6-(4-ethoxy-3-(trifluoromethyl)phenyl)-1-(3-morpho...)Show SMILES CCOc1ccc(cc1C(F)(F)F)-c1cc2n(CCCN3CCOCC3)cnc2c(n1)C#N Show InChI InChI=1S/C23H24F3N5O2/c1-2-33-21-5-4-16(12-17(21)23(24,25)26)18-13-20-22(19(14-27)29-18)28-15-31(20)7-3-6-30-8-10-32-11-9-30/h4-5,12-13,15H,2-3,6-11H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human cathepsin S by fluorescence assay |
Bioorg Med Chem Lett 20: 4350-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.072 BindingDB Entry DOI: 10.7270/Q2028RR9 |
More data for this Ligand-Target Pair | |