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BDBM50310831 CHEMBL1079231::Clinopodic acid A

SMILES: OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)cc1

InChI Key: InChIKey=KIMHJUCTTIEANQ-KZJSRBBCSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50310831   
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))		BDBM50310831
PNG
(CHEMBL1079231 | Clinopodic acid A)
Show SMILES OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)cc1 |r|
Show InChI InChI=1S/C18H16O7/c19-13-5-1-11(2-6-13)4-8-17(22)25-16(18(23)24)10-12-3-7-14(20)15(21)9-12/h1-9,16,19-21H,10H2,(H,23,24)/b8-4+/t16-/m1/s1
PDB

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PC cid
PC sid
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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