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BDBM50122501 CHEMBL3622502

SMILES: COc1cc2CCN(Cc2cc1OC)c1nc(NCCN2CCN(C)CC2)nc(NCc2ccccc2)n1

InChI Key: InChIKey=YWYWVKRYAFRKOY-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50122501   
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))
BDBM50122501
PNG
(CHEMBL3622502)
Show SMILES COc1cc2CCN(Cc2cc1OC)c1nc(NCCN2CCN(C)CC2)nc(NCc2ccccc2)n1
Show InChI InChI=1S/C28H38N8O2/c1-34-13-15-35(16-14-34)12-10-29-26-31-27(30-19-21-7-5-4-6-8-21)33-28(32-26)36-11-9-22-17-24(37-2)25(38-3)18-23(22)20-36/h4-8,17-18H,9-16,19-20H2,1-3H3,(H2,29,30,31,32,33)
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MMDB

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PC cid
PC sid
UniChem
PubMed
n/an/a 3.00E+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