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Compile Data Set for Download or QSAR

Found 1 hit of ki for monomerid = 50017894   
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
Suppressor of tumorigenicity 14 protein


(Homo sapiens (Human))		BDBM50017894
PNG
(CHEMBL3289040)
Show SMILES N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(Oc2ccc(cc2)C(N)=N)cc(Oc2ccc(N)nc2)c1 |r,wU:1.0,wD:4.7,(21.6,-9.88,;20.27,-9.11,;18.94,-9.88,;17.6,-9.11,;17.6,-7.57,;18.94,-6.8,;20.27,-7.57,;16.27,-6.8,;14.94,-7.57,;14.94,-9.11,;13.6,-6.8,;13.6,-5.26,;12.27,-4.49,;12.27,-2.95,;13.6,-2.18,;13.6,-.64,;14.94,.13,;16.27,-.64,;16.27,-2.18,;14.94,-2.95,;17.6,.13,;18.94,-.64,;17.6,1.67,;10.94,-5.26,;10.94,-6.8,;9.6,-7.57,;8.27,-6.8,;6.93,-7.57,;5.6,-6.8,;5.6,-5.26,;4.27,-4.49,;6.93,-4.49,;8.27,-5.26,;12.27,-7.57,)|
Show InChI InChI=1S/C25H28N6O3/c26-17-3-5-18(6-4-17)31-25(32)16-11-21(33-19-7-1-15(2-8-19)24(28)29)13-22(12-16)34-20-9-10-23(27)30-14-20/h1-2,7-14,17-18H,3-6,26H2,(H2,27,30)(H3,28,29)(H,31,32)/t17-,18-
PDB
MMDB

KEGG

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PC cid
PC sid
UniChem
Article
PubMed
 2.03E+3n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant matriptase (unknown origin) using Boc-Gln-Ala-Arg-7-amido-4-methyl coumarin hydrobromide

Bioorg Med Chem 22: 3187-203 (2014)


Article DOI: 10.1016/j.bmc.2014.04.013
BindingDB Entry DOI: 10.7270/Q2J967ZD
More data for this
Ligand-Target Pair