BindingDB logo
myBDB logout

PubMed code 27498895

Compile data set for download or QSAR
Found 6 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Cathepsin K


(Homo sapiens (human))
BDBM50201794
PNG
(CHEMBL3897445)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CO)NC(=O)NCCCCNC(N)=N)C(=O)N[C@H]1CCCN(C1O)C(N)=N
Show InChI InChI=1S/C20H40N10O5/c1-11(2)14(16(33)27-12-6-5-9-30(17(12)34)19(23)24)29-15(32)13(10-31)28-20(35)26-8-4-3-7-25-18(21)22/h11-14,17,31,34H,3-10H2,1-2H3,(H3,23,24)(H,27,33)(H,29,32)(H4,21,22,25)(H2,26,28,35)/t12-,13-,14-,17?/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
11n/an/an/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant cathepsin K using Z-FR-MCA fluorogenic substrate by Handerson plot analysis


J Nat Prod 79: 1962-70 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00215
BindingDB Entry DOI: 10.7270/Q2F76FHF
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM50201793
PNG
(CHEMBL3899320)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(=O)NC1CCCN(C1O)C(N)=N
Show InChI InChI=1S/C27H44N10O6/c1-15(2)20(22(39)33-18-11-7-13-37(23(18)40)26(30)31)36-21(38)17(10-6-12-32-25(28)29)34-27(43)35-19(24(41)42)14-16-8-4-3-5-9-16/h3-5,8-9,15,17-20,23,40H,6-7,10-14H2,1-2H3,(H3,30,31)(H,33,39)(H,36,38)(H,41,42)(H4,28,29,32)(H2,34,35,43)/t17-,18?,19-,20-,23?/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
41n/an/an/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant cathepsin K using Z-FR-MCA fluorogenic substrate by Handerson plot analysis


J Nat Prod 79: 1962-70 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00215
BindingDB Entry DOI: 10.7270/Q2F76FHF
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM50201793
PNG
(CHEMBL3899320)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(=O)NC1CCCN(C1O)C(N)=N
Show InChI InChI=1S/C27H44N10O6/c1-15(2)20(22(39)33-18-11-7-13-37(23(18)40)26(30)31)36-21(38)17(10-6-12-32-25(28)29)34-27(43)35-19(24(41)42)14-16-8-4-3-5-9-16/h3-5,8-9,15,17-20,23,40H,6-7,10-14H2,1-2H3,(H3,30,31)(H,33,39)(H,36,38)(H,41,42)(H4,28,29,32)(H2,34,35,43)/t17-,18?,19-,20-,23?/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
69n/an/an/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant cathepsin K using Z-FR-MCA fluorogenic substrate by Dixon plot analysis


J Nat Prod 79: 1962-70 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00215
BindingDB Entry DOI: 10.7270/Q2F76FHF
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM50201793
PNG
(CHEMBL3899320)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(=O)NC1CCCN(C1O)C(N)=N
Show InChI InChI=1S/C27H44N10O6/c1-15(2)20(22(39)33-18-11-7-13-37(23(18)40)26(30)31)36-21(38)17(10-6-12-32-25(28)29)34-27(43)35-19(24(41)42)14-16-8-4-3-5-9-16/h3-5,8-9,15,17-20,23,40H,6-7,10-14H2,1-2H3,(H3,30,31)(H,33,39)(H,36,38)(H,41,42)(H4,28,29,32)(H2,34,35,43)/t17-,18?,19-,20-,23?/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
105n/an/an/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant cathepsin K using Z-FR-MCA fluorogenic substrate by Dixon plot analysis


J Nat Prod 79: 1962-70 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00215
BindingDB Entry DOI: 10.7270/Q2F76FHF
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM50201795
PNG
(CHEMBL3972383)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(=O)NC1CCCN(C(N)=N)C1=O
Show InChI InChI=1S/C27H42N10O6/c1-15(2)20(22(39)33-18-11-7-13-37(23(18)40)26(30)31)36-21(38)17(10-6-12-32-25(28)29)34-27(43)35-19(24(41)42)14-16-8-4-3-5-9-16/h3-5,8-9,15,17-20H,6-7,10-14H2,1-2H3,(H3,30,31)(H,33,39)(H,36,38)(H,41,42)(H4,28,29,32)(H2,34,35,43)/t17-,18?,19-,20-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
163n/an/an/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant cathepsin K using Z-FR-MCA fluorogenic substrate by Dixon plot analysis


J Nat Prod 79: 1962-70 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00215
BindingDB Entry DOI: 10.7270/Q2F76FHF
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM50201792
PNG
(CHEMBL3942776)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(=O)NC1=CN(CCC1)C(N)=N
Show InChI InChI=1S/C27H42N10O5/c1-16(2)21(23(39)33-18-10-7-13-37(15-18)26(30)31)36-22(38)19(11-6-12-32-25(28)29)34-27(42)35-20(24(40)41)14-17-8-4-3-5-9-17/h3-5,8-9,15-16,19-21H,6-7,10-14H2,1-2H3,(H3,30,31)(H,33,39)(H,36,38)(H,40,41)(H4,28,29,32)(H2,34,35,42)/t19-,20-,21-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
393n/an/an/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant cathepsin K using Z-FR-MCA fluorogenic substrate by Dixon plot analysis


J Nat Prod 79: 1962-70 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00215
BindingDB Entry DOI: 10.7270/Q2F76FHF
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%