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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Interstitial collagenase' and Ligand = 'BDBM50106653'   
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))		BDBM50106653
PNG
((2R,3R)-N-{(1S,2R)-4-Nitroguanyl-2-methyl-1-[(1,3-...)
Show SMILES CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@@H]([C@H](C)CCN=C(N)N[N+]([O-])=O)C(=O)Nc1nccs1)N(O)C=O |w:17.16|
Show InChI InChI=1S/C21H36N8O6S/c1-5-6-16(28(33)12-30)15(11-13(2)3)18(31)25-17(19(32)26-21-24-9-10-36-21)14(4)7-8-23-20(22)27-29(34)35/h9-10,12-17,33H,5-8,11H2,1-4H3,(H,25,31)(H3,22,23,27)(H,24,26,32)/t14-,15-,16+,17+/m1/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition potency was determined by fluorescence-based peptide assay against matrix metalloprotease-1

J Med Chem 44: 4252-67 (2001)


BindingDB Entry DOI: 10.7270/Q24J0DF5
More data for this
Ligand-Target Pair