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BDBM50013136 N-(Ethylphosphoryl)-L-isoleucyl-L-Tyr(OMe)-NHCH3

SMILES: CCOP([O-])(=O)N[C@@H]([C@@H](C)CC)C(=O)NC(Cc1ccc(OC)cc1)C(=O)NC

InChI Key: InChIKey=AXYVPEUJFOLNRT-KAKCIXEOSA-M

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50013136   
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
Interstitial collagenase


(Homo sapiens (Human))		BDBM50013136
PNG
(N-(Ethylphosphoryl)-L-isoleucyl-L-Tyr(OMe)-NHCH3)
Show SMILES CCOP([O-])(=O)N[C@@H]([C@@H](C)CC)C(=O)NC(Cc1ccc(OC)cc1)C(=O)NC
Show InChI InChI=1S/C19H32N3O6P/c1-6-13(3)17(22-29(25,26)28-7-2)19(24)21-16(18(23)20-4)12-14-8-10-15(27-5)11-9-14/h8-11,13,16-17H,6-7,12H2,1-5H3,(H,20,23)(H,21,24)(H2,22,25,26)/p-1/t13-,16?,17-/m0/s1
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Similars
PubMed
 3.10E+4n/an/an/an/an/an/a7.5n/a



University of Kentucky

Curated by ChEMBL


Assay Description
Assayed against human skin fibroblast Collagenase using the spectrophotometric assay with the thiol ester substrate at pH 6.5.

J Med Chem 33: 263-73 (1990)


BindingDB Entry DOI: 10.7270/Q2J9670V
More data for this
Ligand-Target Pair