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BDBM50013123 N-(Ethylphosphoryl)-L-isoleucyl-L-alanyl glycine-Gln-Arg(NO2)

SMILES: CCOP([O-])(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N[N+]([O-])=O)C(O)=O

InChI Key: InChIKey=PWBLVPJEFHVHCE-GMHRPJKWSA-M

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50013123   
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))		BDBM50013123
PNG
(N-(Ethylphosphoryl)-L-isoleucyl-L-alanyl glycine-G...)
Show SMILES CCOP([O-])(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N[N+]([O-])=O)C(O)=O
Show InChI InChI=1S/C24H45N10O12P/c1-5-13(3)19(33-47(44,45)46-6-2)22(39)29-14(4)20(37)28-12-18(36)30-15(9-10-17(25)35)21(38)31-16(23(40)41)8-7-11-27-24(26)32-34(42)43/h13-16,19H,5-12H2,1-4H3,(H2,25,35)(H,28,37)(H,29,39)(H,30,36)(H,31,38)(H,40,41)(H3,26,27,32)(H2,33,44,45)/p-1/t13-,14-,15-,16-,19-/m0/s1
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Similars
PubMed
 1.90E+6n/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