BindingDB logo
myBDB logout

PubMed code 22894131

Compile data set for download or QSAR
Found 4 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
Thermolysin


(Bacillus thermoproteolyticus)		BDBM50396788
PNG
(CHEMBL2172738)
Show SMILES CC(C)C[C@H](NP([O-])(=O)CNC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C([O-])=O |r|
Show InChI InChI=1S/C18H28N3O7P/c1-12(2)9-15(16(22)20-13(3)17(23)24)21-29(26,27)11-19-18(25)28-10-14-7-5-4-6-8-14/h4-8,12-13,15H,9-11H2,1-3H3,(H,19,25)(H,20,22)(H,23,24)(H2,21,26,27)/p-2/t13-,15-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 19.1n/an/an/an/an/an/an/an/a



The State University of New York

Curated by ChEMBL


Assay Description
Binding affinity to Bacillus thermoproteolyticus thermolysin by UV-VIS spectrophotometric analysis in presence of 2-furanacryloyl-Gly-Leu-NH2

J Med Chem 55: 8283-302 (2012)


Article DOI: 10.1021/jm300472k
BindingDB Entry DOI: 10.7270/Q27M092M
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)		BDBM50396786
PNG
(CHEMBL2172740)
Show SMILES CCNC(=O)[C@H](CC(C)C)NP([O-])(=O)CNC(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C17H28N3O5P/c1-4-18-16(21)15(10-13(2)3)20-26(23,24)12-19-17(22)25-11-14-8-6-5-7-9-14/h5-9,13,15H,4,10-12H2,1-3H3,(H,18,21)(H,19,22)(H2,20,23,24)/p-1/t15-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 289n/an/an/an/an/an/an/an/a



The State University of New York

Curated by ChEMBL


Assay Description
Binding affinity to Bacillus thermoproteolyticus thermolysin by UV-VIS spectrophotometric analysis in presence of 2-furanacryloyl-Gly-Leu-NH2

J Med Chem 55: 8283-302 (2012)


Article DOI: 10.1021/jm300472k
BindingDB Entry DOI: 10.7270/Q27M092M
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)		BDBM50396787
PNG
(CHEMBL2172737)
Show SMILES CC(C)C[C@H](NP([O-])(=O)CNC(=O)OCc1ccccc1)C(=O)NCC([O-])=O |r|
Show InChI InChI=1S/C17H26N3O7P/c1-12(2)8-14(16(23)18-9-15(21)22)20-28(25,26)11-19-17(24)27-10-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3,(H,18,23)(H,19,24)(H,21,22)(H2,20,25,26)/p-2/t14-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 472n/an/an/an/an/an/an/an/a



The State University of New York

Curated by ChEMBL


Assay Description
Binding affinity to Bacillus thermoproteolyticus thermolysin by UV-VIS spectrophotometric analysis in presence of 2-furanacryloyl-Gly-Leu-NH2

J Med Chem 55: 8283-302 (2012)


Article DOI: 10.1021/jm300472k
BindingDB Entry DOI: 10.7270/Q27M092M
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)		BDBM50396789
PNG
(CHEMBL2172739)
Show SMILES CNC(=O)[C@H](CC(C)C)NP([O-])(=O)CNC(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C16H26N3O5P/c1-12(2)9-14(15(20)17-3)19-25(22,23)11-18-16(21)24-10-13-7-5-4-6-8-13/h4-8,12,14H,9-11H2,1-3H3,(H,17,20)(H,18,21)(H2,19,22,23)/p-1/t14-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 902n/an/an/an/an/an/an/an/a



The State University of New York

Curated by ChEMBL


Assay Description
Binding affinity to Bacillus thermoproteolyticus thermolysin by UV-VIS spectrophotometric analysis in presence of 2-furanacryloyl-Gly-Leu-NH2

J Med Chem 55: 8283-302 (2012)


Article DOI: 10.1021/jm300472k
BindingDB Entry DOI: 10.7270/Q27M092M
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%