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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Collagenase 3' and Ligand = 'BDBM50095547'   
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
Collagenase 3


(Homo sapiens (Human))		BDBM50095547
PNG
(4-[(2-Hydroxy-propionyl)-propyl-amino]-1-(4-methox...)
Show SMILES CCCN([C@H]1C[C@@H](N(C1)S(=O)(=O)c1ccc(OC)cc1)C(=O)NO)C(=O)[C@H](C)O
Show InChI InChI=1S/C18H27N3O7S/c1-4-9-20(18(24)12(2)22)13-10-16(17(23)19-25)21(11-13)29(26,27)15-7-5-14(28-3)6-8-15/h5-8,12-13,16,22,25H,4,9-11H2,1-3H3,(H,19,23)/t12-,13-,16+/m0/s1
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Similars
PubMed
n/an/a 1n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant matrix metalloproteinase-13 (collagenase-3)

J Med Chem 43: 4948-63 (2001)


BindingDB Entry DOI: 10.7270/Q21N80DW
More data for this
Ligand-Target Pair