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PubMed code 12443790

Compile data set for download or QSAR
Found 3 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)		BDBM50121452
PNG
((S)-2-{(S)-2-[(Benzyloxycarbonylamino-methyl)-hydr...)
Show SMILES CC(C)C[C@H](CP(O)([O-])=CNC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C([O-])=O
Show InChI InChI=1S/C22H34N2O7P/c1-15(2)10-18(20(25)24-19(21(26)27)11-16(3)4)13-32(29,30)14-23-22(28)31-12-17-8-6-5-7-9-17/h5-9,14-16,18-19H,10-13H2,1-4H3,(H4-,23,24,25,26,27,28,29,30)/q-1/p-1/t18-,19+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
 11n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Competitive inhibition of thermolysin evaluated using the substrate FAGLA (Sigma); Competitive binding observed

Bioorg Med Chem Lett 12: 3625-7 (2002)


BindingDB Entry DOI: 10.7270/Q269744P
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)		BDBM50121453
PNG
(CHEMBL334233 | Sodium; (S)-2-[(S)-2-({dihydroxy-[(...)
Show SMILES CC(C)C[C@H](C[Si](O)(O)CNC(=O)CCc1ccccc1)C(=O)N[C@@H](CC(C)C)C([O-])=O
Show InChI InChI=1S/C23H38N2O6Si/c1-16(2)12-19(22(27)25-20(23(28)29)13-17(3)4)14-32(30,31)15-24-21(26)11-10-18-8-6-5-7-9-18/h5-9,16-17,19-20,30-31H,10-15H2,1-4H3,(H,24,26)(H,25,27)(H,28,29)/p-1/t19-,20+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
 41n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Competitive inhibition of thermolysin evaluated using the substrate FAGLA (Sigma); Competitive binding observed

Bioorg Med Chem Lett 12: 3625-7 (2002)


BindingDB Entry DOI: 10.7270/Q269744P
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)		BDBM50121454
PNG
((S)-2-[(Aminomethyl-diphenyl-silanyl)-methyl]-4-me...)
Show SMILES CC(C)C[C@@H](CO)C[Si](CN)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H29NOSi/c1-17(2)13-18(14-22)15-23(16-21,19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,17-18,22H,13-16,21H2,1-2H3/t18-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
 41n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Competitive inhibition of thermolysin evaluated using the substrate FAGLA (Sigma); Competitive binding observed

Bioorg Med Chem Lett 12: 3625-7 (2002)


BindingDB Entry DOI: 10.7270/Q269744P
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%