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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Interstitial collagenase' and Ligand = 'BDBM50072572'   
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))		BDBM50072572
PNG
((7S,8R,11S)-11-(4-Hydroxymethyl-benzoyl)-8-isobuty...)
Show SMILES CC(C)C[C@@H]1[C@H](CCCCOc2ccc(C[C@H](NC1=O)C(=O)c1ccc(CO)cc1)cc2)C(=O)NO
Show InChI InChI=1S/C28H36N2O6/c1-18(2)15-24-23(28(34)30-35)5-3-4-14-36-22-12-8-19(9-13-22)16-25(29-27(24)33)26(32)21-10-6-20(17-31)7-11-21/h6-13,18,23-25,31,35H,3-5,14-17H2,1-2H3,(H,29,33)(H,30,34)/t23-,24+,25-/m0/s1
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MMDB

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n/an/a 5n/an/an/an/an/an/a



Abbott Laboratory

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloproteinase 1 isolated from the culture medium of human skin fibroblasts induced with PMA

Bioorg Med Chem Lett 8: 3251-6 (1999)


BindingDB Entry DOI: 10.7270/Q289152J
More data for this
Ligand-Target Pair