Found 14 hits Enz. Inhib. hit(s) with all data for entry = 50010573 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)) | BDBM50096393
(Benzo[b]thiophene-2-carboxylic acid [(S)-3-methyl-...)Show SMILES CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N[C@H]1COCC1=O Show InChI InChI=1S/C19H22N2O4S/c1-11(2)7-13(18(23)21-14-9-25-10-15(14)22)20-19(24)17-8-12-5-3-4-6-16(12)26-17/h3-6,8,11,13-14H,7,9-10H2,1-2H3,(H,20,24)(H,21,23)/t13-,14-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin K |
Bioorg Med Chem Lett 11: 199-202 (2001)
BindingDB Entry DOI: 10.7270/Q2TX3DMJ |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50096392
((S)-2-[2-(3,4-Dimethoxy-phenyl)-acetylamino]-4-met...)Show SMILES COc1ccc(CC(=O)N[C@@H](CC(C)C)C(=O)NC2CCOCC2=O)cc1OC Show InChI InChI=1S/C21H30N2O6/c1-13(2)9-16(21(26)23-15-7-8-29-12-17(15)24)22-20(25)11-14-5-6-18(27-3)19(10-14)28-4/h5-6,10,13,15-16H,7-9,11-12H2,1-4H3,(H,22,25)(H,23,26)/t15?,16-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin K |
Bioorg Med Chem Lett 11: 199-202 (2001)
BindingDB Entry DOI: 10.7270/Q2TX3DMJ |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50096392
((S)-2-[2-(3,4-Dimethoxy-phenyl)-acetylamino]-4-met...)Show SMILES COc1ccc(CC(=O)N[C@@H](CC(C)C)C(=O)NC2CCOCC2=O)cc1OC Show InChI InChI=1S/C21H30N2O6/c1-13(2)9-16(21(26)23-15-7-8-29-12-17(15)24)22-20(25)11-14-5-6-18(27-3)19(10-14)28-4/h5-6,10,13,15-16H,7-9,11-12H2,1-4H3,(H,22,25)(H,23,26)/t15?,16-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin K |
Bioorg Med Chem Lett 11: 199-202 (2001)
BindingDB Entry DOI: 10.7270/Q2TX3DMJ |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50096383
(Benzo[b]thiophene-2-carboxylic acid [(S)-3-methyl-...)Show SMILES CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)NC1COCC1=O Show InChI InChI=1S/C19H22N2O4S/c1-11(2)7-13(18(23)21-14-9-25-10-15(14)22)20-19(24)17-8-12-5-3-4-6-16(12)26-17/h3-6,8,11,13-14H,7,9-10H2,1-2H3,(H,20,24)(H,21,23)/t13-,14?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin K |
Bioorg Med Chem Lett 11: 199-202 (2001)
BindingDB Entry DOI: 10.7270/Q2TX3DMJ |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50096397
(CHEMBL293694 | Naphthalene-2-carboxylic acid [(S)-...)Show SMILES CC(C)C[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)N[C@H]1COCC1=O Show InChI InChI=1S/C21H24N2O4/c1-13(2)9-17(21(26)23-18-11-27-12-19(18)24)22-20(25)16-8-7-14-5-3-4-6-15(14)10-16/h3-8,10,13,17-18H,9,11-12H2,1-2H3,(H,22,25)(H,23,26)/t17-,18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin K |
Bioorg Med Chem Lett 11: 199-202 (2001)
BindingDB Entry DOI: 10.7270/Q2TX3DMJ |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50096396
(CHEMBL292937 | Quinoline-2-carboxylic acid [(S)-3-...)Show SMILES CC(C)C[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@H]1COCC1=O Show InChI InChI=1S/C20H23N3O4/c1-12(2)9-16(20(26)23-17-10-27-11-18(17)24)22-19(25)15-8-7-13-5-3-4-6-14(13)21-15/h3-8,12,16-17H,9-11H2,1-2H3,(H,22,25)(H,23,26)/t16-,17-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin K |
Bioorg Med Chem Lett 11: 199-202 (2001)
BindingDB Entry DOI: 10.7270/Q2TX3DMJ |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50096398
(CHEMBL303555 | Naphthalene-2-carboxylic acid [(S)-...)Show SMILES CC(C)C[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)NC1CCOCC1=O Show InChI InChI=1S/C22H26N2O4/c1-14(2)11-19(22(27)23-18-9-10-28-13-20(18)25)24-21(26)17-8-7-15-5-3-4-6-16(15)12-17/h3-8,12,14,18-19H,9-11,13H2,1-2H3,(H,23,27)(H,24,26)/t18?,19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin K |
Bioorg Med Chem Lett 11: 199-202 (2001)
BindingDB Entry DOI: 10.7270/Q2TX3DMJ |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50096398
(CHEMBL303555 | Naphthalene-2-carboxylic acid [(S)-...)Show SMILES CC(C)C[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)NC1CCOCC1=O Show InChI InChI=1S/C22H26N2O4/c1-14(2)11-19(22(27)23-18-9-10-28-13-20(18)25)24-21(26)17-8-7-15-5-3-4-6-16(15)12-17/h3-8,12,14,18-19H,9-11,13H2,1-2H3,(H,23,27)(H,24,26)/t18?,19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin K |
Bioorg Med Chem Lett 11: 199-202 (2001)
BindingDB Entry DOI: 10.7270/Q2TX3DMJ |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM19797
(CHEMBL301683 | acyclic alkoxymethyl ketone inhibit...)Show SMILES COCC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C19H28N2O5/c1-13(2)10-16(18(23)20-14(3)17(22)12-25-4)21-19(24)26-11-15-8-6-5-7-9-15/h5-9,13-14,16H,10-12H2,1-4H3,(H,20,23)(H,21,24)/t14-,16-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin K |
Bioorg Med Chem Lett 11: 199-202 (2001)
BindingDB Entry DOI: 10.7270/Q2TX3DMJ |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50096394
(Benzo[b]thiophene-2-carboxylic acid [(R)-3-methyl-...)Show SMILES CC(C)C[C@@H](NC(=O)c1cc2ccccc2s1)C(=O)N[C@@H]1COCC1=O Show InChI InChI=1S/C19H22N2O4S/c1-11(2)7-13(18(23)21-14-9-25-10-15(14)22)20-19(24)17-8-12-5-3-4-6-16(12)26-17/h3-6,8,11,13-14H,7,9-10H2,1-2H3,(H,20,24)(H,21,23)/t13-,14-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 68 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin K |
Bioorg Med Chem Lett 11: 199-202 (2001)
BindingDB Entry DOI: 10.7270/Q2TX3DMJ |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM19815
((2S)-2-(1-benzothiophen-2-ylformamido)-4-methyl-N-...)Show SMILES CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)NC1CCOCC1=O |r| Show InChI InChI=1S/C20H24N2O4S/c1-12(2)9-15(19(24)21-14-7-8-26-11-16(14)23)22-20(25)18-10-13-5-3-4-6-17(13)27-18/h3-6,10,12,14-15H,7-9,11H2,1-2H3,(H,21,24)(H,22,25)/t14?,15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibitory activity of the compound was evaluated against cathepsin K |
Bioorg Med Chem Lett 11: 199-202 (2001)
BindingDB Entry DOI: 10.7270/Q2TX3DMJ |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM19815
((2S)-2-(1-benzothiophen-2-ylformamido)-4-methyl-N-...)Show SMILES CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)NC1CCOCC1=O |r| Show InChI InChI=1S/C20H24N2O4S/c1-12(2)9-15(19(24)21-14-7-8-26-11-16(14)23)22-20(25)18-10-13-5-3-4-6-17(13)27-18/h3-6,10,12,14-15H,7-9,11H2,1-2H3,(H,21,24)(H,22,25)/t14?,15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin K |
Bioorg Med Chem Lett 11: 199-202 (2001)
BindingDB Entry DOI: 10.7270/Q2TX3DMJ |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50096395
(CHEMBL59736 | Naphthalene-2-carboxylic acid [(R)-3...)Show SMILES CC(C)C[C@@H](NC(=O)c1ccc2ccccc2c1)C(=O)N[C@@H]1COCC1=O Show InChI InChI=1S/C21H24N2O4/c1-13(2)9-17(21(26)23-18-11-27-12-19(18)24)22-20(25)16-8-7-14-5-3-4-6-15(14)10-16/h3-8,10,13,17-18H,9,11-12H2,1-2H3,(H,22,25)(H,23,26)/t17-,18-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 470 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin K |
Bioorg Med Chem Lett 11: 199-202 (2001)
BindingDB Entry DOI: 10.7270/Q2TX3DMJ |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50096399
(CHEMBL61556 | Quinoline-2-carboxylic acid [(R)-3-m...)Show SMILES CC(C)C[C@@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@@H]1COCC1=O Show InChI InChI=1S/C20H23N3O4/c1-12(2)9-16(20(26)23-17-10-27-11-18(17)24)22-19(25)15-8-7-13-5-3-4-6-14(13)21-15/h3-8,12,16-17H,9-11H2,1-2H3,(H,22,25)(H,23,26)/t16-,17-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 590 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin K |
Bioorg Med Chem Lett 11: 199-202 (2001)
BindingDB Entry DOI: 10.7270/Q2TX3DMJ |
More data for this
Ligand-Target Pair | |
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