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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Collagenase 3' and Ligand = 'BDBM30376'   
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
Collagenase 3


(Homo sapiens (Human))
BDBM30376
PNG
(piperidinyl glycine derivative, 24m)
Show SMILES CCOC(=O)N1CCC(CC1)[C@@H](NS(=O)(=O)c1ccc(s1)-c1ccc(OCC)cc1)C(O)=O |r|
Show InChI InChI=1S/C22H28N2O7S2/c1-3-30-17-7-5-15(6-8-17)18-9-10-19(32-18)33(28,29)23-20(21(25)26)16-11-13-24(14-12-16)22(27)31-4-2/h5-10,16,20,23H,3-4,11-14H2,1-2H3,(H,25,26)/t20-/m1/s1
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2n/an/an/an/an/a25



Novartis



Assay Description
Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...


J Med Chem 52: 3523-38 (2009)


Article DOI: 10.1021/jm801394m
BindingDB Entry DOI: 10.7270/Q2B27SN3
More data for this
Ligand-Target Pair