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SMILES: CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN=CCP(O)(O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(O)=O

InChI Key: InChIKey=OMSCWSTVTGEJIM-QKDODKLFSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50407194   
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
Collagenase ColA


(Clostridium perfringens)		BDBM50407194
PNG
(CHEMBL2115242)
Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN=CCP(O)(O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(O)=O |r,w:17.18|
Show InChI InChI=1S/C31H43N4O8P/c1-2-3-15-25(30(38)39)33-29(37)26-16-10-18-35(26)28(36)21-32-17-19-44(41,42)27(20-23-11-6-4-7-12-23)34-31(40)43-22-24-13-8-5-9-14-24/h4-9,11-14,17,25-27,41-42,44H,2-3,10,15-16,18-22H2,1H3,(H,33,37)(H,34,40)(H,38,39)/t25-,26-,27-/m0/s1
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
PubMed
 8n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of bacterial collagenase from corynebacterium rathaii

J Med Chem 37: 2713-20 (1994)


BindingDB Entry DOI: 10.7270/Q20G3J7B
More data for this
Ligand-Target Pair