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BDBM50122496 CHEMBL3622497

SMILES: CCN(C(=O)c1ccc(CNc2ncnc(NCc3ccc(OC)c(OC)c3)n2)cc1)c1cccc(C)c1

InChI Key: InChIKey=SYANOVLFJBXPTA-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50122496   
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))
BDBM50122496
PNG
(CHEMBL3622497)
Show SMILES CCN(C(=O)c1ccc(CNc2ncnc(NCc3ccc(OC)c(OC)c3)n2)cc1)c1cccc(C)c1
Show InChI InChI=1S/C29H32N6O3/c1-5-35(24-8-6-7-20(2)15-24)27(36)23-12-9-21(10-13-23)17-30-28-32-19-33-29(34-28)31-18-22-11-14-25(37-3)26(16-22)38-4/h6-16,19H,5,17-18H2,1-4H3,(H2,30,31,32,33,34)
PDB
MMDB

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PC cid
PC sid
UniChem
PubMed
n/an/a 158n/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