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SMILES: CC(C)(C)OC(=O)Nc1ccc2CN([C@H](Cc2c1)C(=O)C(O)=O)S(=O)(=O)c1ccc(cc1)-c1ccc(F)cc1

InChI Key: InChIKey=LERSXUYNVGTZOT-XMMPIXPASA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50077364   
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
Neutrophil collagenase


(Homo sapiens (Human))		BDBM50077364
PNG
(CHEMBL56158 | [(R)-6-tert-Butoxycarbonylamino-2-(4...)
Show SMILES CC(C)(C)OC(=O)Nc1ccc2CN([C@H](Cc2c1)C(=O)C(O)=O)S(=O)(=O)c1ccc(cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C28H27FN2O7S/c1-28(2,3)38-27(35)30-22-11-6-19-16-31(24(15-20(19)14-22)25(32)26(33)34)39(36,37)23-12-7-18(8-13-23)17-4-9-21(29)10-5-17/h4-14,24H,15-16H2,1-3H3,(H,30,35)(H,33,34)/t24-/m1/s1
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MMDB

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Article
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n/an/a 30n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil collagenase [Matrix Metalloprotease-8, MMP-8]

J Med Chem 42: 1908-20 (1999)


Article DOI: 10.1021/jm980631s
BindingDB Entry DOI: 10.7270/Q2251JV5
More data for this
Ligand-Target Pair