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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Matrix metalloproteinase-2 (MMP-2)' and Ligand = 'BDBM50310827'   
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
Matrix metalloproteinase-2 (MMP-2)


(Rattus norvegicus (Rat))
BDBM50310827
PNG
(CHEMBL1079357 | clinopodic acid H)
Show SMILES COc1cc(C[C@@H](OC(=O)\C=C\c2ccc(O)c3O[C@@H]([C@@H](C(O)=O)c23)c2ccc(O)c(OC)c2)C(O)=O)ccc1O
Show InChI InChI=1S/C29H26O12/c1-38-20-11-14(3-7-17(20)30)12-22(28(34)35)40-23(33)10-6-15-4-9-19(32)27-24(15)25(29(36)37)26(41-27)16-5-8-18(31)21(13-16)39-2/h3-11,13,22,25-26,30-32H,12H2,1-2H3,(H,34,35)(H,36,37)/b10-6+/t22-,25+,26-/m1/s1
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of gelatinolytic activity of MMP2 in rat lung homogenate after 40 mins by SDS-PAGE preincubated for 30 mins


J Nat Prod 72: 1379-84 (2009)

More data for this
Ligand-Target Pair