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SMILES: COc1cccc(CNC(=O)c2nc3cccc(NCCc4ccccc4)c3c(=O)[nH]2)c1

InChI Key: InChIKey=NJWYBMXICXPPLV-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50102765   
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
Collagenase 3


(Homo sapiens (Human))		BDBM50102765
PNG
(CHEMBL3359080)
Show SMILES COc1cccc(CNC(=O)c2nc3cccc(NCCc4ccccc4)c3c(=O)[nH]2)c1
Show InChI InChI=1S/C25H24N4O3/c1-32-19-10-5-9-18(15-19)16-27-25(31)23-28-21-12-6-11-20(22(21)24(30)29-23)26-14-13-17-7-3-2-4-8-17/h2-12,15,26H,13-14,16H2,1H3,(H,27,31)(H,28,29,30)
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Article
PubMed
n/an/a 4.30n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP13 using Cy3-PLGLK(Cy5Q)AR-NH2 as substrate after 40 mins by spectrofluorimetry

J Med Chem 57: 8886-902 (2014)


Article DOI: 10.1021/jm500981k
BindingDB Entry DOI: 10.7270/Q28P628P
More data for this
Ligand-Target Pair