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SMILES: OC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)c1cccs1

InChI Key: InChIKey=AQCVVGWXCDKQLI-HNNXBMFYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50271854   
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
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50271854
PNG
(CHEMBL482917 | N6-[(Benzyloxy)carbonyl]-N2-(2-thie...)
Show SMILES OC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)c1cccs1 |r|
Show InChI InChI=1S/C19H22N2O5S/c22-17(16-10-6-12-27-16)21-15(18(23)24)9-4-5-11-20-19(25)26-13-14-7-2-1-3-8-14/h1-3,6-8,10,12,15H,4-5,9,11,13H2,(H,20,25)(H,21,22)(H,23,24)/t15-/m0/s1
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MMDB

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PC cid
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Article
PubMed
n/an/a 1.27E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of MMP2 (unknown origin)

Bioorg Med Chem 16: 5473-81 (2008)


Article DOI: 10.1016/j.bmc.2008.04.012
BindingDB Entry DOI: 10.7270/Q23778J3
More data for this
Ligand-Target Pair