Found 106 hits with Last Name = 'van rijnsbergen' and Initial = 'p' 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)) | 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)) | 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)) | 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 | |
Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1
(Homo sapiens (Human)) | BDBM50557619
(CHEMBL4796239)Show SMILES CNC(=O)[C@@H](C)N(Cc1ccccc1OC(F)F)C(=O)c1c[nH]c(n1)C(=O)N1Cc2ccc(cc2C1)C(N)=O |r| | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant human full-length His-tagged TAK1-TAB1 fusion protein (437 to 504 residues) expressed in baculovirus expression system usin... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00547 BindingDB Entry DOI: 10.7270/Q20005S0 |
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
(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)) | 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)) | 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 | |
Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1
(Homo sapiens (Human)) | BDBM50557620
(CHEMBL4752978)Show SMILES CNC(=O)CN(Cc1ccccc1OC(F)F)C(=O)c1c[nH]c(n1)C(=O)N1Cc2ccc(cc2C1)C(N)=O | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant human full-length His-tagged TAK1-TAB1 fusion protein (437 to 504 residues) expressed in baculovirus expression system usin... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00547 BindingDB Entry DOI: 10.7270/Q20005S0 |
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) |
Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1
(Homo sapiens (Human)) | BDBM50438317
(CHEMBL2408611)Show SMILES Nc1ncc(-c2cnn(c2)[C@H]2CC[C@H](O)CC2)c2c(Cl)c(oc12)-c1cccc2nnsc12 |r,wU:13.14,wD:10.10,(28,-9.67,;29.47,-9.2,;30.61,-10.23,;32.07,-9.75,;32.39,-8.26,;33.86,-7.78,;34.33,-6.31,;35.87,-6.31,;36.35,-7.78,;35.1,-8.68,;37.81,-8.25,;38.13,-9.77,;39.58,-10.25,;40.73,-9.22,;42.2,-9.7,;40.42,-7.71,;38.95,-7.23,;31.26,-7.23,;31.25,-5.69,;32.5,-4.79,;29.79,-5.22,;28.89,-6.46,;29.79,-7.7,;29.32,-3.75,;30.36,-2.61,;29.89,-1.15,;28.39,-.82,;27.35,-1.96,;25.81,-1.96,;25.33,-3.42,;26.58,-4.33,;27.82,-3.43,)| Show InChI InChI=1S/C22H19ClN6O2S/c23-18-17-15(11-8-26-29(10-11)12-4-6-13(30)7-5-12)9-25-22(24)20(17)31-19(18)14-2-1-3-16-21(14)32-28-27-16/h1-3,8-10,12-13,30H,4-7H2,(H2,24,25)/t12-,13- | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant human full-length His-tagged TAK1-TAB1 fusion protein (437 to 504 residues) expressed in baculovirus expression system usin... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00547 BindingDB Entry DOI: 10.7270/Q20005S0 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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)) | 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)) | 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 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 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 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 | |
Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1
(Homo sapiens (Human)) | BDBM50187111
(CHEMBL3823738)Show SMILES CC(C)Oc1c(NC(=O)c2csc3c2nc[nH]c3=O)cccc1C(=O)N1CCN(C)CC1 Show InChI InChI=1S/C22H25N5O4S/c1-13(2)31-18-14(22(30)27-9-7-26(3)8-10-27)5-4-6-16(18)25-20(28)15-11-32-19-17(15)23-12-24-21(19)29/h4-6,11-13H,7-10H2,1-3H3,(H,25,28)(H,23,24,29) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant human full-length His-tagged TAK1-TAB1 fusion protein (437 to 504 residues) expressed in baculovirus expression system usin... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00547 BindingDB Entry DOI: 10.7270/Q20005S0 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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 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)) | BDBM50331563
(2-fluoro-N-(1-oxobutan-2-yl)-3-(trifluoromethyl)be...)Show InChI InChI=1S/C12H11F4NO2/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 UniChem
Similars
| Article PubMed
| n/a | n/a | 36 | 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)) | 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
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 36.3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human cathepsin 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 K
(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 | 37.2 | 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 | |
Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant human full-length His-tagged TAK1-TAB1 fusion protein (437 to 504 residues) expressed in baculovirus expression system usin... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00547 BindingDB Entry DOI: 10.7270/Q20005S0 |
More data for this Ligand-Target Pair | |
Cathepsin S
(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 | 41 | 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)) | 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 | 46.8 | 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)) | 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 | 47.9 | 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 K
(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 | 51.3 | 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)) | 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 | 78 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of cathepsin S in human JY cells assessed as Lip10 accumulation by Western blotting |
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)) | 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 | 91.2 | 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)) | 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 | 107 | 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)) | BDBM50331566
(2-chloro-N-(1-oxopropan-2-yl)-3-(trifluoromethyl)b...)Show InChI InChI=1S/C11H9ClF3NO2/c1-6(5-17)16-10(18)7-3-2-4-8(9(7)12)11(13,14)15/h2-6H,1H3,(H,16,18) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
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 | |
Procathepsin L
(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 | 141 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human cathepsin L 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)) | 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 | 195 | 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 | |
Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1
(Homo sapiens (Human)) | BDBM50557622
(CHEMBL4786426)Show SMILES CNC(=O)CN(Cc1ccccc1OC(F)F)C(=O)c1c[nH]c(n1)C(=O)N1Cc2ccccc2C1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant human full-length His-tagged TAK1-TAB1 fusion protein (437 to 504 residues) expressed in baculovirus expression system usin... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00547 BindingDB Entry DOI: 10.7270/Q20005S0 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1
(Homo sapiens (Human)) | BDBM50557633
(CHEMBL4795442)Show SMILES CNC(=O)[C@@H](C)N(Cc1ccccc1OC(F)F)C(=O)c1c[nH]c(n1)C(=O)N1CCCC1 |r| | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant human full-length His-tagged TAK1-TAB1 fusion protein (437 to 504 residues) expressed in baculovirus expression system usin... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00547 BindingDB Entry DOI: 10.7270/Q20005S0 |
More data for this Ligand-Target Pair | |
Procathepsin L
(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 | 479 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human cathepsin L 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 | |
Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1
(Homo sapiens (Human)) | BDBM50557636
(CHEMBL4799816)Show SMILES CNC(=O)C(C)N(Cc1ccccc1OC(F)F)C(=O)c1c[nH]c(n1)C(=O)N1CCCC1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant human full-length His-tagged TAK1-TAB1 fusion protein (437 to 504 residues) expressed in baculovirus expression system usin... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00547 BindingDB Entry DOI: 10.7270/Q20005S0 |
More data for this Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50331565
(2-methoxy-N-(1-oxobutan-2-yl)-3-(trifluoromethyl)b...)Show InChI InChI=1S/C13H14F3NO3/c1-3-8(7-18)17-12(19)9-5-4-6-10(11(9)20-2)13(14,15)16/h4-8H,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
| Article PubMed
| n/a | n/a | 692 | 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 | |