Found 10 hits of Enzyme Inhibition Constant Data 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)) | BDBM19489
((2S)-N-(cyanomethyl)-4-methyl-2-[[(1S)-2,2,2-trifl...)Show SMILES CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)NCC#N |r| Show InChI InChI=1S/C23H26F3N3O3S/c1-15(2)14-20(22(30)28-13-12-27)29-21(23(24,25)26)18-6-4-16(5-7-18)17-8-10-19(11-9-17)33(3,31)32/h4-11,15,20-21,29H,13-14H2,1-3H3,(H,28,30)/t20-,21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of humanized rabbit cathepsin K |
Bioorg Med Chem Lett 21: 920-3 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.070
BindingDB Entry DOI: 10.7270/Q2Z89CQF |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50255753
(CHEMBL481611 | MK-0822 | Odanacatib)Show SMILES CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C25H27F4N3O3S/c1-23(2,26)14-20(22(33)32-24(15-30)12-13-24)31-21(25(27,28)29)18-6-4-16(5-7-18)17-8-10-19(11-9-17)36(3,34)35/h4-11,20-21,31H,12-14H2,1-3H3,(H,32,33)/t20-,21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of humanized rabbit cathepsin K |
Bioorg Med Chem Lett 21: 920-3 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.070
BindingDB Entry DOI: 10.7270/Q2Z89CQF |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50336095
(1-(4'-((S)-1-((S)-1-(1-cyanocyclopropylamino)-4-fl...)Show SMILES CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1F)C1(CC1)C(N)=O)C(F)(F)F)C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C28H29F5N4O2/c1-25(2,30)14-21(23(38)37-26(15-34)9-10-26)36-22(28(31,32)33)17-5-3-16(4-6-17)19-8-7-18(13-20(19)29)27(11-12-27)24(35)39/h3-8,13,21-22,36H,9-12,14H2,1-2H3,(H2,35,39)(H,37,38)/t21-,22-/m0/s1 | 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 | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of humanized rabbit cathepsin K |
Bioorg Med Chem Lett 21: 920-3 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.070
BindingDB Entry DOI: 10.7270/Q2Z89CQF |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50336094
(1-(4'-((S)-1-((S)-1-(1-cyanocyclopropylamino)-4-fl...)Show SMILES CC(C)(F)C[C@H](N[C@H](C(F)F)c1ccc(cc1)-c1ccc(cc1F)C1(CC1)C(N)=O)C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C28H30F4N4O2/c1-26(2,32)14-21(24(37)36-27(15-33)9-10-27)35-22(23(30)31)17-5-3-16(4-6-17)19-8-7-18(13-20(19)29)28(11-12-28)25(34)38/h3-8,13,21-23,35H,9-12,14H2,1-2H3,(H2,34,38)(H,36,37)/t21-,22-/m0/s1 | 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 | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of humanized rabbit cathepsin K |
Bioorg Med Chem Lett 21: 920-3 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.070
BindingDB Entry DOI: 10.7270/Q2Z89CQF |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50336091
((S)-N-(cyanomethyl)-2-((S)-2,2-difluoro-1-(4'-(met...)Show SMILES CC(C)C[C@H](N[C@H](C(F)F)c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(=O)NCC#N |r| Show InChI InChI=1S/C23H27F2N3O3S/c1-15(2)14-20(23(29)27-13-12-26)28-21(22(24)25)18-6-4-16(5-7-18)17-8-10-19(11-9-17)32(3,30)31/h4-11,15,20-22,28H,13-14H2,1-3H3,(H,27,29)/t20-,21-/m0/s1 | 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 | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of humanized rabbit cathepsin K |
Bioorg Med Chem Lett 21: 920-3 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.070
BindingDB Entry DOI: 10.7270/Q2Z89CQF |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM19491
((2S)-N-(1-cyanocyclopropyl)-4-methyl-2-{[(1S)-2,2,...)Show SMILES CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C25H28F3N3O3S/c1-16(2)14-21(23(32)31-24(15-29)12-13-24)30-22(25(26,27)28)19-6-4-17(5-7-19)18-8-10-20(11-9-18)35(3,33)34/h4-11,16,21-22,30H,12-14H2,1-3H3,(H,31,32)/t21-,22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of humanized rabbit cathepsin K |
Bioorg Med Chem Lett 21: 920-3 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.070
BindingDB Entry DOI: 10.7270/Q2Z89CQF |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50336089
((S)-N-(1-cyanocyclopropyl)-2-((S)-2,2-difluoro-1-(...)Show SMILES CC(C)C[C@H](N[C@H](C(F)F)c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C25H29F2N3O3S/c1-16(2)14-21(24(31)30-25(15-28)12-13-25)29-22(23(26)27)19-6-4-17(5-7-19)18-8-10-20(11-9-18)34(3,32)33/h4-11,16,21-23,29H,12-14H2,1-3H3,(H,30,31)/t21-,22-/m0/s1 | 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 | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of humanized rabbit cathepsin K |
Bioorg Med Chem Lett 21: 920-3 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.070
BindingDB Entry DOI: 10.7270/Q2Z89CQF |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50336090
((S)-N-(1-cyanocyclopropyl)-2-((S)-2,2-difluoro-1-(...)Show SMILES CC(C)(F)C[C@H](N[C@H](C(F)F)c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C25H28F3N3O3S/c1-24(2,28)14-20(23(32)31-25(15-29)12-13-25)30-21(22(26)27)18-6-4-16(5-7-18)17-8-10-19(11-9-17)35(3,33)34/h4-11,20-22,30H,12-14H2,1-3H3,(H,31,32)/t20-,21-/m0/s1 | 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 Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of humanized rabbit cathepsin K |
Bioorg Med Chem Lett 21: 920-3 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.070
BindingDB Entry DOI: 10.7270/Q2Z89CQF |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50336093
((2S)-N-(1-cyanocyclopropyl)-4-methyl-2-((1S)-2,2,2...)Show SMILES CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)C(O)C(F)(F)F)C(F)(F)F)C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C26H27F6N3O2/c1-15(2)13-20(23(37)35-24(14-33)11-12-24)34-21(25(27,28)29)18-7-3-16(4-8-18)17-5-9-19(10-6-17)22(36)26(30,31)32/h3-10,15,20-22,34,36H,11-13H2,1-2H3,(H,35,37)/t20-,21-,22?/m0/s1 | 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 | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of humanized rabbit cathepsin K |
Bioorg Med Chem Lett 21: 920-3 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.070
BindingDB Entry DOI: 10.7270/Q2Z89CQF |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50336092
((2S)-N-(1-cyanocyclopropyl)-2-((1S)-2,2-difluoro-1...)Show SMILES CC(C)C[C@H](N[C@H](C(F)F)c1ccc(cc1)-c1ccc(cc1)C(O)C(F)(F)F)C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C26H28F5N3O2/c1-15(2)13-20(24(36)34-25(14-32)11-12-25)33-21(23(27)28)18-7-3-16(4-8-18)17-5-9-19(10-6-17)22(35)26(29,30)31/h3-10,15,20-23,33,35H,11-13H2,1-2H3,(H,34,36)/t20-,21-,22?/m0/s1 | 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 Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of humanized rabbit cathepsin K |
Bioorg Med Chem Lett 21: 920-3 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.070
BindingDB Entry DOI: 10.7270/Q2Z89CQF |
More data for this
Ligand-Target Pair | |
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