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BDBM50017932 CHEMBL3289039

SMILES: N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(Oc2ccc(N)cc2)cc(Oc2ccc(cc2)C(N)=N)c1

InChI Key: InChIKey=JISOUTUOGFTGBI-KESTWPANSA-N

Data: 3 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50017932   
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
Matriptase


(Homo sapiens (Human))		BDBM50017932
PNG
(CHEMBL3289039)
Show SMILES N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(Oc2ccc(N)cc2)cc(Oc2ccc(cc2)C(N)=N)c1 |r,wU:1.0,wD:4.7,(18.33,-12.11,;17,-11.34,;15.67,-12.11,;14.33,-11.34,;14.33,-9.8,;15.67,-9.03,;17,-9.8,;13,-9.03,;11.66,-9.8,;11.66,-11.34,;10.33,-9.03,;9,-9.8,;7.66,-9.03,;6.33,-9.8,;5,-9.03,;3.66,-9.8,;2.33,-9.03,;2.33,-7.49,;.99,-6.72,;3.66,-6.72,;5,-7.49,;7.66,-7.49,;9,-6.72,;9,-5.18,;10.33,-4.41,;10.33,-2.87,;11.66,-2.1,;13,-2.87,;13,-4.41,;11.66,-5.18,;14.33,-2.1,;15.67,-2.87,;14.33,-.56,;10.33,-7.49,)|
Show InChI InChI=1S/C26H29N5O3/c27-18-3-7-20(8-4-18)31-26(32)17-13-23(33-21-9-1-16(2-10-21)25(29)30)15-24(14-17)34-22-11-5-19(28)6-12-22/h1-2,5-6,9-15,18,20H,3-4,7-8,27-28H2,(H3,29,30)(H,31,32)/t18-,20-
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Article
PubMed
 1.13E+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