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BDBM50122487 CHEMBL3622480

SMILES: CCN(C(=O)c1ccc(CNc2nc(NCc3ccccc3)nc(n2)N2CCc3cc(OC)c(OC)cc3C2)cc1)c1cccc(C)c1

InChI Key: InChIKey=QMBUGXXPGPGUPD-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50122487   
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))
BDBM50122487
PNG
(CHEMBL3622480)
Show SMILES CCN(C(=O)c1ccc(CNc2nc(NCc3ccccc3)nc(n2)N2CCc3cc(OC)c(OC)cc3C2)cc1)c1cccc(C)c1
Show InChI InChI=1S/C38H41N7O3/c1-5-45(32-13-9-10-26(2)20-32)35(46)29-16-14-28(15-17-29)24-40-37-41-36(39-23-27-11-7-6-8-12-27)42-38(43-37)44-19-18-30-21-33(47-3)34(48-4)22-31(30)25-44/h6-17,20-22H,5,18-19,23-25H2,1-4H3,(H2,39,40,41,42,43)
PDB
MMDB

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PC cid
PC sid
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PubMed
n/an/a 60n/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