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BDBM50122552 CHEMBL3622508

SMILES: CCN(C)C(=O)c1ccc(CNc2ncnc(n2)N2CCc3ccccc3C2)cc1

InChI Key: InChIKey=HSGBWBKWOOWYRP-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50122552   
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
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM50122552
PNG
(CHEMBL3622508)
Show SMILES CCN(C)C(=O)c1ccc(CNc2ncnc(n2)N2CCc3ccccc3C2)cc1
Show InChI InChI=1S/C23H26N6O/c1-3-28(2)21(30)19-10-8-17(9-11-19)14-24-22-25-16-26-23(27-22)29-13-12-18-6-4-5-7-20(18)15-29/h4-11,16H,3,12-15H2,1-2H3,(H,24,25,26,27)
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PubMed
n/an/a 1.70E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ADAMTS4 (213 to 575 amino acid residues) using WAAG-3R as substrate preincubated for 15 mins followed by substrate ad...


ACS Med Chem Lett 6: 888-93 (2015)


BindingDB Entry DOI: 10.7270/Q2416ZWQ
More data for this
Ligand-Target Pair