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BDBM50013135 N-(Ethylphosphoryl)-L-isoleucyl-L-Tyr(OBzl)-NHCH3

SMILES: CCOP([O-])(=O)N[C@@H]([C@@H](C)CC)C(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)NC

InChI Key: InChIKey=SYJDNYDJYYTCSB-DGCGVQPYSA-M

Data: 1 KI

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50013135   
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))		BDBM50013135
PNG
(N-(Ethylphosphoryl)-L-isoleucyl-L-Tyr(OBzl)-NHCH3)
Show SMILES CCOP([O-])(=O)N[C@@H]([C@@H](C)CC)C(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)NC
Show InChI InChI=1S/C25H36N3O6P/c1-5-18(3)23(28-35(31,32)34-6-2)25(30)27-22(24(29)26-4)16-19-12-14-21(15-13-19)33-17-20-10-8-7-9-11-20/h7-15,18,22-23H,5-6,16-17H2,1-4H3,(H,26,29)(H,27,30)(H2,28,31,32)/p-1/t18-,22?,23-/m0/s1
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Similars
PubMed
 1.80E+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