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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Interstitial collagenase' and Ligand = 'BDBM50013131'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Interstitial collagenase


(Homo sapiens (Human))		BDBM50013131
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(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(O)=O
Show InChI InChI=1S/C26H48N9O12P/c1-5-14(3)21(35-48(45,46)47-6-2)25(44)32-15(4)22(41)30-12-18(36)33-17(9-10-19(37)38)24(43)34-16(8-7-11-29-26(27)28)23(42)31-13-20(39)40/h14-17,21H,5-13H2,1-4H3,(H,30,41)(H,31,42)(H,32,44)(H,33,36)(H,34,43)(H,37,38)(H,39,40)(H4,27,28,29)(H2,35,45,46)/p-1/t14-,15-,16-,17-,21-/m0/s1
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Similars
PubMed
 4.03E+5n/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