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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thermolysin' and Ligand = 'BDBM50473782'   
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)		BDBM50473782
PNG
(CHEMBL91805)
Show SMILES CC(C)C[C@@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)N[C@H](C)C(O)=O
Show InChI InChI=1S/C31H40N4O7/c1-20(2)17-24(27(36)32-21(3)30(39)40)33-28(37)26-15-10-16-35(26)29(38)25(18-22-11-6-4-7-12-22)34-31(41)42-19-23-13-8-5-9-14-23/h4-9,11-14,20-21,24-26H,10,15-19H2,1-3H3,(H,32,36)(H,33,37)(H,34,41)(H,39,40)/t21-,24-,25-,26-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 0.0631n/an/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Binding affinity against Thermolysin

J Med Chem 45: 2770-80 (2002)


Article DOI: 10.1021/jm0105833
BindingDB Entry DOI: 10.7270/Q2MG7S8S
More data for this
Ligand-Target Pair