Found 50 hits Enz. Inhib. hit(s) with all data for entry = 50021377 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)) | BDBM50223939
(6-(4-methoxybenzyl)-7-neopentyl-7H-pyrrolo[2,3-d]p...)Show InChI InChI=1S/C20H22N4O/c1-20(2,3)13-24-16(9-14-5-7-17(25-4)8-6-14)10-15-12-22-18(11-21)23-19(15)24/h5-8,10,12H,9,13H2,1-4H3 | 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 | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin K by fluorescence assay |
Bioorg Med Chem Lett 17: 6096-100 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.047
BindingDB Entry DOI: 10.7270/Q2G160K6 |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50223914
(6-((4-(4-fluorophenyl)piperazin-1-yl)methyl)-7-neo...)Show SMILES CC(C)(C)Cn1c(CN2CCN(CC2)c2ccc(F)cc2)cc2cnc(nc12)C#N Show InChI InChI=1S/C23H27FN6/c1-23(2,3)16-30-20(12-17-14-26-21(13-25)27-22(17)30)15-28-8-10-29(11-9-28)19-6-4-18(24)5-7-19/h4-7,12,14H,8-11,15-16H2,1-3H3 | 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 | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin K by fluorescence assay |
Bioorg Med Chem Lett 17: 6096-100 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.047
BindingDB Entry DOI: 10.7270/Q2G160K6 |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50223921
(6-(4-(benzo[d][1,3]dioxol-5-yl)benzyl)-7-neopentyl...)Show SMILES CC(C)(C)Cn1c(Cc2ccc(cc2)-c2ccc3OCOc3c2)cc2cnc(nc12)C#N Show InChI InChI=1S/C26H24N4O2/c1-26(2,3)15-30-21(11-20-14-28-24(13-27)29-25(20)30)10-17-4-6-18(7-5-17)19-8-9-22-23(12-19)32-16-31-22/h4-9,11-12,14H,10,15-16H2,1-3H3 | 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 | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin K by fluorescence assay |
Bioorg Med Chem Lett 17: 6096-100 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.047
BindingDB Entry DOI: 10.7270/Q2G160K6 |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50223935
(CHEMBL399842 | N-(4-((2-cyano-7-neopentyl-7H-pyrro...)Show SMILES CC(C)(C)Cn1c(Cc2ccc(NS(=O)(=O)CC(F)(F)F)cc2)cc2cnc(nc12)C#N Show InChI InChI=1S/C21H22F3N5O2S/c1-20(2,3)12-29-17(9-15-11-26-18(10-25)27-19(15)29)8-14-4-6-16(7-5-14)28-32(30,31)13-21(22,23)24/h4-7,9,11,28H,8,12-13H2,1-3H3 | 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 | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin K by fluorescence assay |
Bioorg Med Chem Lett 17: 6096-100 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.047
BindingDB Entry DOI: 10.7270/Q2G160K6 |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50223915
(6-benzyl-7-neopentyl-7H-pyrrolo[2,3-d]pyrimidine-2...)Show InChI InChI=1S/C19H20N4/c1-19(2,3)13-23-16(9-14-7-5-4-6-8-14)10-15-12-21-17(11-20)22-18(15)23/h4-8,10,12H,9,13H2,1-3H3 | 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 | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin K by fluorescence assay |
Bioorg Med Chem Lett 17: 6096-100 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.047
BindingDB Entry DOI: 10.7270/Q2G160K6 |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50223925
(6-(4-((4-methylpiperazin-1-yl)methyl)benzyl)-7-cyc...)Show SMILES CN1CCN(Cc2ccc(Cc3cc4cnc(nc4n3C3CCCCC3)C#N)cc2)CC1 Show InChI InChI=1S/C26H32N6/c1-30-11-13-31(14-12-30)19-21-9-7-20(8-10-21)15-24-16-22-18-28-25(17-27)29-26(22)32(24)23-5-3-2-4-6-23/h7-10,16,18,23H,2-6,11-15,19H2,1H3 | 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 | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin K by fluorescence assay |
Bioorg Med Chem Lett 17: 6096-100 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.047
BindingDB Entry DOI: 10.7270/Q2G160K6 |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50223919
(7-(2,2-dimethylpropyl)-6-[(5-fluoro-2-oxospiro[ind...)Show SMILES CC(C)(C)Cn1c(CN2C(=O)C3(CCNCC3)c3cc(F)ccc23)cc2cnc(nc12)C#N Show InChI InChI=1S/C25H27FN6O/c1-24(2,3)15-32-18(10-16-13-29-21(12-27)30-22(16)32)14-31-20-5-4-17(26)11-19(20)25(23(31)33)6-8-28-9-7-25/h4-5,10-11,13,28H,6-9,14-15H2,1-3H3 | 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 | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin K by fluorescence assay |
Bioorg Med Chem Lett 17: 6096-100 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.047
BindingDB Entry DOI: 10.7270/Q2G160K6 |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50223910
(6-(4-chlorobenzyl)-7-cyclohexyl-7H-pyrrolo[2,3-d]p...)Show InChI InChI=1S/C20H19ClN4/c21-16-8-6-14(7-9-16)10-18-11-15-13-23-19(12-22)24-20(15)25(18)17-4-2-1-3-5-17/h6-9,11,13,17H,1-5,10H2 | 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 |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin K by fluorescence assay |
Bioorg Med Chem Lett 17: 6096-100 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.047
BindingDB Entry DOI: 10.7270/Q2G160K6 |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50223911
(7-neopentyl-6-((pyridin-4-yloxy)methyl)-7H-pyrrolo...)Show InChI InChI=1S/C18H19N5O/c1-18(2,3)12-23-14(11-24-15-4-6-20-7-5-15)8-13-10-21-16(9-19)22-17(13)23/h4-8,10H,11-12H2,1-3H3 | 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 | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin K by fluorescence assay |
Bioorg Med Chem Lett 17: 6096-100 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.047
BindingDB Entry DOI: 10.7270/Q2G160K6 |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50223920
(6-(4-morpholinobenzyl)-7-cyclohexyl-7H-pyrrolo[2,3...)Show SMILES N#Cc1ncc2cc(Cc3ccc(cc3)N3CCOCC3)n(C3CCCCC3)c2n1 Show InChI InChI=1S/C24H27N5O/c25-16-23-26-17-19-15-22(29(24(19)27-23)21-4-2-1-3-5-21)14-18-6-8-20(9-7-18)28-10-12-30-13-11-28/h6-9,15,17,21H,1-5,10-14H2 | 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 | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin K by fluorescence assay |
Bioorg Med Chem Lett 17: 6096-100 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.047
BindingDB Entry DOI: 10.7270/Q2G160K6 |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50223936
(6-((5,5-dimethyl-2,4-dioxooxazolidin-3-yl)methyl)-...)Show SMILES CC(C)(C)Cn1c(CN2C(=O)OC(C)(C)C2=O)cc2cnc(nc12)C#N Show InChI InChI=1S/C18H21N5O3/c1-17(2,3)10-23-12(6-11-8-20-13(7-19)21-14(11)23)9-22-15(24)18(4,5)26-16(22)25/h6,8H,9-10H2,1-5H3 | 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 | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin K by fluorescence assay |
Bioorg Med Chem Lett 17: 6096-100 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.047
BindingDB Entry DOI: 10.7270/Q2G160K6 |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50223940
(6-((4,5-dichloro-1H-imidazol-1-yl)methyl)-7-neopen...)Show SMILES CC(C)(C)Cn1c(Cn2cnc(Cl)c2Cl)cc2cnc(nc12)C#N Show InChI InChI=1S/C16H16Cl2N6/c1-16(2,3)8-24-11(7-23-9-21-13(17)14(23)18)4-10-6-20-12(5-19)22-15(10)24/h4,6,9H,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 | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin K by fluorescence assay |
Bioorg Med Chem Lett 17: 6096-100 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.047
BindingDB Entry DOI: 10.7270/Q2G160K6 |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50223941
(6-(4-((diethylamino)methyl)benzyl)-7-cyclohexyl-7H...)Show SMILES CCN(CC)Cc1ccc(Cc2cc3cnc(nc3n2C2CCCCC2)C#N)cc1 Show InChI InChI=1S/C25H31N5/c1-3-29(4-2)18-20-12-10-19(11-13-20)14-23-15-21-17-27-24(16-26)28-25(21)30(23)22-8-6-5-7-9-22/h10-13,15,17,22H,3-9,14,18H2,1-2H3 | 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 | 4.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin K by fluorescence assay |
Bioorg Med Chem Lett 17: 6096-100 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.047
BindingDB Entry DOI: 10.7270/Q2G160K6 |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50223937
(6-((1H-1,2,3-triazol-1-yl)methyl)-7-neopentyl-7H-p...)Show InChI InChI=1S/C15H17N7/c1-15(2,3)10-22-12(9-21-5-4-18-20-21)6-11-8-17-13(7-16)19-14(11)22/h4-6,8H,9-10H2,1-3H3 | 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 | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin K by fluorescence assay |
Bioorg Med Chem Lett 17: 6096-100 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.047
BindingDB Entry DOI: 10.7270/Q2G160K6 |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50223918
(6-((1H-imidazol-1-yl)methyl)-7-neopentyl-7H-pyrrol...)Show InChI InChI=1S/C16H18N6/c1-16(2,3)10-22-13(9-21-5-4-18-11-21)6-12-8-19-14(7-17)20-15(12)22/h4-6,8,11H,9-10H2,1-3H3 | 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 | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin K by fluorescence assay |
Bioorg Med Chem Lett 17: 6096-100 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.047
BindingDB Entry DOI: 10.7270/Q2G160K6 |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50223923
(6-benzyl-7-cyclohexyl-7H-pyrrolo[2,3-d]pyrimidine-...)Show InChI InChI=1S/C20H20N4/c21-13-19-22-14-16-12-18(11-15-7-3-1-4-8-15)24(20(16)23-19)17-9-5-2-6-10-17/h1,3-4,7-8,12,14,17H,2,5-6,9-11H2 | 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 | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin K by fluorescence assay |
Bioorg Med Chem Lett 17: 6096-100 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.047
BindingDB Entry DOI: 10.7270/Q2G160K6 |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50223928
(6-biphenyl-4-ylmethyl-7-cyclohexyl-7H-pyrrolo[2,3-...)Show SMILES N#Cc1ncc2cc(Cc3ccc(cc3)-c3ccccc3)n(C3CCCCC3)c2n1 Show InChI InChI=1S/C26H24N4/c27-17-25-28-18-22-16-24(30(26(22)29-25)23-9-5-2-6-10-23)15-19-11-13-21(14-12-19)20-7-3-1-4-8-20/h1,3-4,7-8,11-14,16,18,23H,2,5-6,9-10,15H2 | 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 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin K by fluorescence assay |
Bioorg Med Chem Lett 17: 6096-100 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.047
BindingDB Entry DOI: 10.7270/Q2G160K6 |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50223915
(6-benzyl-7-neopentyl-7H-pyrrolo[2,3-d]pyrimidine-2...)Show InChI InChI=1S/C19H20N4/c1-19(2,3)13-23-16(9-14-7-5-4-6-8-14)10-15-12-21-17(11-20)22-18(15)23/h4-8,10,12H,9,13H2,1-3H3 | 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 | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin S by fluorescence assay |
Bioorg Med Chem Lett 17: 6096-100 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.047
BindingDB Entry DOI: 10.7270/Q2G160K6 |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50223927
(CHEMBL251186 | N-(4-((2-cyano-7-neopentyl-7H-pyrro...)Show SMILES CC(C)(C)Cn1c(Cc2ccc(NS(C)(=O)=O)cc2)cc2cnc(nc12)C#N Show InChI InChI=1S/C20H23N5O2S/c1-20(2,3)13-25-17(10-15-12-22-18(11-21)23-19(15)25)9-14-5-7-16(8-6-14)24-28(4,26)27/h5-8,10,12,24H,9,13H2,1-4H3 | 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 | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin S by fluorescence assay |
Bioorg Med Chem Lett 17: 6096-100 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.047
BindingDB Entry DOI: 10.7270/Q2G160K6 |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50223930
(CHEMBL251187 | N-{4-[(2-cyano-7-neopentyl-7H-pyrro...)Show SMILES CC(C)(C)Cn1c(Cc2ccc(NS(N)(=O)=O)cc2)cc2cnc(nc12)C#N Show InChI InChI=1S/C19H22N6O2S/c1-19(2,3)12-25-16(9-14-11-22-17(10-20)23-18(14)25)8-13-4-6-15(7-5-13)24-28(21,26)27/h4-7,9,11,24H,8,12H2,1-3H3,(H2,21,26,27) | 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 | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin S by fluorescence assay |
Bioorg Med Chem Lett 17: 6096-100 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.047
BindingDB Entry DOI: 10.7270/Q2G160K6 |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50223933
(CHEMBL250793 | N-(4-((2-cyano-7-neopentyl-7H-pyrro...)Show SMILES CC(=O)Nc1ccc(Cc2cc3cnc(nc3n2CC(C)(C)C)C#N)cc1 Show InChI InChI=1S/C21H23N5O/c1-14(27)24-17-7-5-15(6-8-17)9-18-10-16-12-23-19(11-22)25-20(16)26(18)13-21(2,3)4/h5-8,10,12H,9,13H2,1-4H3,(H,24,27) | 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 | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin S by fluorescence assay |
Bioorg Med Chem Lett 17: 6096-100 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.047
BindingDB Entry DOI: 10.7270/Q2G160K6 |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50223923
(6-benzyl-7-cyclohexyl-7H-pyrrolo[2,3-d]pyrimidine-...)Show InChI InChI=1S/C20H20N4/c21-13-19-22-14-16-12-18(11-15-7-3-1-4-8-15)24(20(16)23-19)17-9-5-2-6-10-17/h1,3-4,7-8,12,14,17H,2,5-6,9-11H2 | 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 | 390 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin S by fluorescence assay |
Bioorg Med Chem Lett 17: 6096-100 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.047
BindingDB Entry DOI: 10.7270/Q2G160K6 |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50223935
(CHEMBL399842 | N-(4-((2-cyano-7-neopentyl-7H-pyrro...)Show SMILES CC(C)(C)Cn1c(Cc2ccc(NS(=O)(=O)CC(F)(F)F)cc2)cc2cnc(nc12)C#N Show InChI InChI=1S/C21H22F3N5O2S/c1-20(2,3)12-29-17(9-15-11-26-18(10-25)27-19(15)29)8-14-4-6-16(7-5-14)28-32(30,31)13-21(22,23)24/h4-7,9,11,28H,8,12-13H2,1-3H3 | 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 | 440 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin S by fluorescence assay |
Bioorg Med Chem Lett 17: 6096-100 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.047
BindingDB Entry DOI: 10.7270/Q2G160K6 |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50223931
(6-(4-(4-methylpiperazin-1-yl)benzyl)-7-cyclohexyl-...)Show SMILES CN1CCN(CC1)c1ccc(Cc2cc3cnc(nc3n2C2CCCCC2)C#N)cc1 Show InChI InChI=1S/C25H30N6/c1-29-11-13-30(14-12-29)21-9-7-19(8-10-21)15-23-16-20-18-27-24(17-26)28-25(20)31(23)22-5-3-2-4-6-22/h7-10,16,18,22H,2-6,11-15H2,1H3 | 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 | 460 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin S by fluorescence assay |
Bioorg Med Chem Lett 17: 6096-100 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.047
BindingDB Entry DOI: 10.7270/Q2G160K6 |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50223938
(6-(4-chlorobenzyl)-7-neopentyl-7H-pyrrolo[2,3-d]py...)Show InChI InChI=1S/C19H19ClN4/c1-19(2,3)12-24-16(8-13-4-6-15(20)7-5-13)9-14-11-22-17(10-21)23-18(14)24/h4-7,9,11H,8,12H2,1-3H3 | 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 | 460 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin S by fluorescence assay |
Bioorg Med Chem Lett 17: 6096-100 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.047
BindingDB Entry DOI: 10.7270/Q2G160K6 |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50223910
(6-(4-chlorobenzyl)-7-cyclohexyl-7H-pyrrolo[2,3-d]p...)Show InChI InChI=1S/C20H19ClN4/c21-16-8-6-14(7-9-16)10-18-11-15-13-23-19(12-22)24-20(15)25(18)17-4-2-1-3-5-17/h6-9,11,13,17H,1-5,10H2 | 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 | 490 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin S by fluorescence assay |
Bioorg Med Chem Lett 17: 6096-100 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.047
BindingDB Entry DOI: 10.7270/Q2G160K6 |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50223925
(6-(4-((4-methylpiperazin-1-yl)methyl)benzyl)-7-cyc...)Show SMILES CN1CCN(Cc2ccc(Cc3cc4cnc(nc4n3C3CCCCC3)C#N)cc2)CC1 Show InChI InChI=1S/C26H32N6/c1-30-11-13-31(14-12-30)19-21-9-7-20(8-10-21)15-24-16-22-18-28-25(17-27)29-26(22)32(24)23-5-3-2-4-6-23/h7-10,16,18,23H,2-6,11-15,19H2,1H3 | 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 | 730 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin S by fluorescence assay |
Bioorg Med Chem Lett 17: 6096-100 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.047
BindingDB Entry DOI: 10.7270/Q2G160K6 |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50223939
(6-(4-methoxybenzyl)-7-neopentyl-7H-pyrrolo[2,3-d]p...)Show InChI InChI=1S/C20H22N4O/c1-20(2,3)13-24-16(9-14-5-7-17(25-4)8-6-14)10-15-12-22-18(11-21)23-19(15)24/h5-8,10,12H,9,13H2,1-4H3 | 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 | 820 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin S by fluorescence assay |
Bioorg Med Chem Lett 17: 6096-100 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.047
BindingDB Entry DOI: 10.7270/Q2G160K6 |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50223919
(7-(2,2-dimethylpropyl)-6-[(5-fluoro-2-oxospiro[ind...)Show SMILES CC(C)(C)Cn1c(CN2C(=O)C3(CCNCC3)c3cc(F)ccc23)cc2cnc(nc12)C#N Show InChI InChI=1S/C25H27FN6O/c1-24(2,3)15-32-18(10-16-13-29-21(12-27)30-22(16)32)14-31-20-5-4-17(26)11-19(20)25(23(31)33)6-8-28-9-7-25/h4-5,10-11,13,28H,6-9,14-15H2,1-3H3 | 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 | 930 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin S by fluorescence assay |
Bioorg Med Chem Lett 17: 6096-100 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.047
BindingDB Entry DOI: 10.7270/Q2G160K6 |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50223909
(7-(2,2-dimethyl-propyl)-6-(4-methyl-benzyl)-7H-pyr...)Show InChI InChI=1S/C20H22N4/c1-14-5-7-15(8-6-14)9-17-10-16-12-22-18(11-21)23-19(16)24(17)13-20(2,3)4/h5-8,10,12H,9,13H2,1-4H3 | 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 | 930 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin S by fluorescence assay |
Bioorg Med Chem Lett 17: 6096-100 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.047
BindingDB Entry DOI: 10.7270/Q2G160K6 |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50223920
(6-(4-morpholinobenzyl)-7-cyclohexyl-7H-pyrrolo[2,3...)Show SMILES N#Cc1ncc2cc(Cc3ccc(cc3)N3CCOCC3)n(C3CCCCC3)c2n1 Show InChI InChI=1S/C24H27N5O/c25-16-23-26-17-19-15-22(29(24(19)27-23)21-4-2-1-3-5-21)14-18-6-8-20(9-7-18)28-10-12-30-13-11-28/h6-9,15,17,21H,1-5,10-14H2 | 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 | 980 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin S by fluorescence assay |
Bioorg Med Chem Lett 17: 6096-100 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.047
BindingDB Entry DOI: 10.7270/Q2G160K6 |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50223911
(7-neopentyl-6-((pyridin-4-yloxy)methyl)-7H-pyrrolo...)Show InChI InChI=1S/C18H19N5O/c1-18(2,3)12-23-14(11-24-15-4-6-20-7-5-15)8-13-10-21-16(9-19)22-17(13)23/h4-8,10H,11-12H2,1-3H3 | 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 | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin S by fluorescence assay |
Bioorg Med Chem Lett 17: 6096-100 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.047
BindingDB Entry DOI: 10.7270/Q2G160K6 |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50223941
(6-(4-((diethylamino)methyl)benzyl)-7-cyclohexyl-7H...)Show SMILES CCN(CC)Cc1ccc(Cc2cc3cnc(nc3n2C2CCCCC2)C#N)cc1 Show InChI InChI=1S/C25H31N5/c1-3-29(4-2)18-20-12-10-19(11-13-20)14-23-15-21-17-27-24(16-26)28-25(21)30(23)22-8-6-5-7-9-22/h10-13,15,17,22H,3-9,14,18H2,1-2H3 | 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 | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin S by fluorescence assay |
Bioorg Med Chem Lett 17: 6096-100 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.047
BindingDB Entry DOI: 10.7270/Q2G160K6 |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50223913
(6-((1,3-dioxo-2,8-diazaspiro[4.5]decan-2-yl)methyl...)Show SMILES CC(C)(C)Cn1c(CN2C(=O)CC3(CCNCC3)C2=O)cc2cnc(nc12)C#N Show InChI InChI=1S/C21H26N6O2/c1-20(2,3)13-27-15(8-14-11-24-16(10-22)25-18(14)27)12-26-17(28)9-21(19(26)29)4-6-23-7-5-21/h8,11,23H,4-7,9,12-13H2,1-3H3 | 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 | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin S by fluorescence assay |
Bioorg Med Chem Lett 17: 6096-100 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.047
BindingDB Entry DOI: 10.7270/Q2G160K6 |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50223916
(6-(4-(4-methylpiperazin-1-yl)benzyl)-7-neopentyl-7...)Show SMILES CN1CCN(CC1)c1ccc(Cc2cc3cnc(nc3n2CC(C)(C)C)C#N)cc1 Show InChI InChI=1S/C24H30N6/c1-24(2,3)17-30-21(14-19-16-26-22(15-25)27-23(19)30)13-18-5-7-20(8-6-18)29-11-9-28(4)10-12-29/h5-8,14,16H,9-13,17H2,1-4H3 | 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 | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin S by fluorescence assay |
Bioorg Med Chem Lett 17: 6096-100 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.047
BindingDB Entry DOI: 10.7270/Q2G160K6 |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50223917
(6-(4-morpholinobenzyl)-7-neopentyl-7H-pyrrolo[2,3-...)Show SMILES CC(C)(C)Cn1c(Cc2ccc(cc2)N2CCOCC2)cc2cnc(nc12)C#N Show InChI InChI=1S/C23H27N5O/c1-23(2,3)16-28-20(13-18-15-25-21(14-24)26-22(18)28)12-17-4-6-19(7-5-17)27-8-10-29-11-9-27/h4-7,13,15H,8-12,16H2,1-3H3 | 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 | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin S by fluorescence assay |
Bioorg Med Chem Lett 17: 6096-100 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.047
BindingDB Entry DOI: 10.7270/Q2G160K6 |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50223918
(6-((1H-imidazol-1-yl)methyl)-7-neopentyl-7H-pyrrol...)Show InChI InChI=1S/C16H18N6/c1-16(2,3)10-22-13(9-21-5-4-18-11-21)6-12-8-19-14(7-17)20-15(12)22/h4-6,8,11H,9-10H2,1-3H3 | 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 | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin S by fluorescence assay |
Bioorg Med Chem Lett 17: 6096-100 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.047
BindingDB Entry DOI: 10.7270/Q2G160K6 |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50223934
(7-(2,2-Dimethyl-propyl)-6-(2,4-dioxo-8-propyl-1,3,...)Show SMILES CCCN1CCC2(CC1)NC(=O)N(Cc1cc3cnc(nc3n1CC(C)(C)C)C#N)C2=O Show InChI InChI=1S/C23H31N7O2/c1-5-8-28-9-6-23(7-10-28)20(31)29(21(32)27-23)14-17-11-16-13-25-18(12-24)26-19(16)30(17)15-22(2,3)4/h11,13H,5-10,14-15H2,1-4H3,(H,27,32) | 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 | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin S by fluorescence assay |
Bioorg Med Chem Lett 17: 6096-100 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.047
BindingDB Entry DOI: 10.7270/Q2G160K6 |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50223912
(6-(4-((diethylamino)methyl)benzyl)-7-neopentyl-7H-...)Show SMILES CCN(CC)Cc1ccc(Cc2cc3cnc(nc3n2CC(C)(C)C)C#N)cc1 Show InChI InChI=1S/C24H31N5/c1-6-28(7-2)16-19-10-8-18(9-11-19)12-21-13-20-15-26-22(14-25)27-23(20)29(21)17-24(3,4)5/h8-11,13,15H,6-7,12,16-17H2,1-5H3 | 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 | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin S by fluorescence assay |
Bioorg Med Chem Lett 17: 6096-100 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.047
BindingDB Entry DOI: 10.7270/Q2G160K6 |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50223928
(6-biphenyl-4-ylmethyl-7-cyclohexyl-7H-pyrrolo[2,3-...)Show SMILES N#Cc1ncc2cc(Cc3ccc(cc3)-c3ccccc3)n(C3CCCCC3)c2n1 Show InChI InChI=1S/C26H24N4/c27-17-25-28-18-22-16-24(30(26(22)29-25)23-9-5-2-6-10-23)15-19-11-13-21(14-12-19)20-7-3-1-4-8-20/h1,3-4,7-8,11-14,16,18,23H,2,5-6,9-10,15H2 | 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 | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin S by fluorescence assay |
Bioorg Med Chem Lett 17: 6096-100 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.047
BindingDB Entry DOI: 10.7270/Q2G160K6 |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50223929
(7-(2,2-Dimethyl-propyl)-6-(3-methyl-2,4-dioxo-1,3,...)Show SMILES CN1C(=O)NC2(CCN(Cc3cc4cnc(nc4n3CC(C)(C)C)C#N)CC2)C1=O Show InChI InChI=1S/C21H27N7O2/c1-20(2,3)13-28-15(9-14-11-23-16(10-22)24-17(14)28)12-27-7-5-21(6-8-27)18(29)26(4)19(30)25-21/h9,11H,5-8,12-13H2,1-4H3,(H,25,30) | 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 | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin S by fluorescence assay |
Bioorg Med Chem Lett 17: 6096-100 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.047
BindingDB Entry DOI: 10.7270/Q2G160K6 |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50223914
(6-((4-(4-fluorophenyl)piperazin-1-yl)methyl)-7-neo...)Show SMILES CC(C)(C)Cn1c(CN2CCN(CC2)c2ccc(F)cc2)cc2cnc(nc12)C#N Show InChI InChI=1S/C23H27FN6/c1-23(2,3)16-30-20(12-17-14-26-21(13-25)27-22(17)30)15-28-8-10-29(11-9-28)19-6-4-18(24)5-7-19/h4-7,12,14H,8-11,15-16H2,1-3H3 | 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 | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin S by fluorescence assay |
Bioorg Med Chem Lett 17: 6096-100 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.047
BindingDB Entry DOI: 10.7270/Q2G160K6 |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50223922
(6-(4-((4-methylpiperazin-1-yl)methyl)benzyl)-7-neo...)Show SMILES CN1CCN(Cc2ccc(Cc3cc4cnc(nc4n3CC(C)(C)C)C#N)cc2)CC1 Show InChI InChI=1S/C25H32N6/c1-25(2,3)18-31-22(14-21-16-27-23(15-26)28-24(21)31)13-19-5-7-20(8-6-19)17-30-11-9-29(4)10-12-30/h5-8,14,16H,9-13,17-18H2,1-4H3 | 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 | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin S by fluorescence assay |
Bioorg Med Chem Lett 17: 6096-100 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.047
BindingDB Entry DOI: 10.7270/Q2G160K6 |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50223924
(4-((2-cyano-7-neopentyl-7H-pyrrolo[2,3-d]pyrimidin...)Show SMILES CN(C)C(=O)c1ccc(Cc2cc3cnc(nc3n2CC(C)(C)C)C#N)cc1 Show InChI InChI=1S/C22H25N5O/c1-22(2,3)14-27-18(11-17-13-24-19(12-23)25-20(17)27)10-15-6-8-16(9-7-15)21(28)26(4)5/h6-9,11,13H,10,14H2,1-5H3 | 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 | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin S by fluorescence assay |
Bioorg Med Chem Lett 17: 6096-100 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.047
BindingDB Entry DOI: 10.7270/Q2G160K6 |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50223936
(6-((5,5-dimethyl-2,4-dioxooxazolidin-3-yl)methyl)-...)Show SMILES CC(C)(C)Cn1c(CN2C(=O)OC(C)(C)C2=O)cc2cnc(nc12)C#N Show InChI InChI=1S/C18H21N5O3/c1-17(2,3)10-23-12(6-11-8-20-13(7-19)21-14(11)23)9-22-15(24)18(4,5)26-16(22)25/h6,8H,9-10H2,1-5H3 | 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 | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin S by fluorescence assay |
Bioorg Med Chem Lett 17: 6096-100 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.047
BindingDB Entry DOI: 10.7270/Q2G160K6 |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50223937
(6-((1H-1,2,3-triazol-1-yl)methyl)-7-neopentyl-7H-p...)Show InChI InChI=1S/C15H17N7/c1-15(2,3)10-22-12(9-21-5-4-18-20-21)6-11-8-17-13(7-16)19-14(11)22/h4-6,8H,9-10H2,1-3H3 | 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 | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin S by fluorescence assay |
Bioorg Med Chem Lett 17: 6096-100 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.047
BindingDB Entry DOI: 10.7270/Q2G160K6 |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50223921
(6-(4-(benzo[d][1,3]dioxol-5-yl)benzyl)-7-neopentyl...)Show SMILES CC(C)(C)Cn1c(Cc2ccc(cc2)-c2ccc3OCOc3c2)cc2cnc(nc12)C#N Show InChI InChI=1S/C26H24N4O2/c1-26(2,3)15-30-21(11-20-14-28-24(13-27)29-25(20)30)10-17-4-6-18(7-5-17)19-8-9-22-23(12-19)32-16-31-22/h4-9,11-12,14H,10,15-16H2,1-3H3 | 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 | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin S by fluorescence assay |
Bioorg Med Chem Lett 17: 6096-100 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.047
BindingDB Entry DOI: 10.7270/Q2G160K6 |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50223926
(6-(4-(dimethylamino)benzyl)-7-neopentyl-7H-pyrrolo...)Show SMILES CN(C)c1ccc(Cc2cc3cnc(nc3n2CC(C)(C)C)C#N)cc1 Show InChI InChI=1S/C21H25N5/c1-21(2,3)14-26-18(10-15-6-8-17(9-7-15)25(4)5)11-16-13-23-19(12-22)24-20(16)26/h6-9,11,13H,10,14H2,1-5H3 | 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 | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin S by fluorescence assay |
Bioorg Med Chem Lett 17: 6096-100 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.047
BindingDB Entry DOI: 10.7270/Q2G160K6 |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50223932
(6-(4-(naphthalen-2-yl)benzyl)-7-neopentyl-7H-pyrro...)Show SMILES CC(C)(C)Cn1c(Cc2ccc(cc2)-c2ccc3ccccc3c2)cc2cnc(nc12)C#N Show InChI InChI=1S/C29H26N4/c1-29(2,3)19-33-26(16-25-18-31-27(17-30)32-28(25)33)14-20-8-10-22(11-9-20)24-13-12-21-6-4-5-7-23(21)15-24/h4-13,15-16,18H,14,19H2,1-3H3 | 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 | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin S by fluorescence assay |
Bioorg Med Chem Lett 17: 6096-100 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.047
BindingDB Entry DOI: 10.7270/Q2G160K6 |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50223940
(6-((4,5-dichloro-1H-imidazol-1-yl)methyl)-7-neopen...)Show SMILES CC(C)(C)Cn1c(Cn2cnc(Cl)c2Cl)cc2cnc(nc12)C#N Show InChI InChI=1S/C16H16Cl2N6/c1-16(2,3)8-24-11(7-23-9-21-13(17)14(23)18)4-10-6-20-12(5-19)22-15(10)24/h4,6,9H,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 | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin S by fluorescence assay |
Bioorg Med Chem Lett 17: 6096-100 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.047
BindingDB Entry DOI: 10.7270/Q2G160K6 |
More data for this
Ligand-Target Pair | |
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