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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Interstitial collagenase' and Ligand = 'BDBM50103985'   
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
Interstitial collagenase


(Homo sapiens (Human))		BDBM50103985
PNG
(CHEMBL320442 | N-Hydroxy-2-[isobutyl-(4-methoxy-be...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C(CCSCc1ccsc1)C(=O)NO
Show InChI InChI=1S/C20H28N2O5S3/c1-15(2)12-22(30(25,26)18-6-4-17(27-3)5-7-18)19(20(23)21-24)9-11-29-14-16-8-10-28-13-16/h4-8,10,13,15,19,24H,9,11-12,14H2,1-3H3,(H,21,23)
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n/an/a 188n/an/an/an/an/an/a



Université de Montréal

Curated by ChEMBL


Assay Description
In vitro inhibition of human matrix metalloprotease-1

J Med Chem 44: 3066-73 (2001)


BindingDB Entry DOI: 10.7270/Q27S7N24
More data for this
Ligand-Target Pair