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BDBM50310828 CHEMBL1079356::clinopodic acid F

SMILES: COc1cc(C[C@@H](OC(=O)\C=C\c2ccc3O[C@@H]([C@@H](Oc3c2)C(O)=O)c2ccc(O)c(O)c2)C(O)=O)ccc1O

InChI Key: InChIKey=WBCYJTQLKQPOTQ-AWDBIOSRSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50310828   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/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))		BDBM50310828
PNG
(CHEMBL1079356 | clinopodic acid F)
Show SMILES COc1cc(C[C@@H](OC(=O)\C=C\c2ccc3O[C@@H]([C@@H](Oc3c2)C(O)=O)c2ccc(O)c(O)c2)C(O)=O)ccc1O |r|
Show InChI InChI=1S/C28H24O12/c1-37-21-11-15(2-6-18(21)30)12-23(27(33)34)38-24(32)9-4-14-3-8-20-22(10-14)40-26(28(35)36)25(39-20)16-5-7-17(29)19(31)13-16/h2-11,13,23,25-26,29-31H,12H2,1H3,(H,33,34)(H,35,36)/b9-4+/t23-,25-,26-/m1/s1
PDB

UniProtKB/SwissProt

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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)


Article DOI: 10.1021/np800781t
BindingDB Entry DOI: 10.7270/Q2891602
More data for this
Ligand-Target Pair