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BDBM50122457 CHEMBL3622486

SMILES: CCN(C(=O)c1ccc(CNc2nc(NCCc3ccco3)nc(n2)N2CCc3cc(OC)c(OC)cc3C2)cc1)c1cccc(C)c1

InChI Key: InChIKey=UVNSDPJUIFXSDS-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50122457   
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))
BDBM50122457
PNG
(CHEMBL3622486)
Show SMILES CCN(C(=O)c1ccc(CNc2nc(NCCc3ccco3)nc(n2)N2CCc3cc(OC)c(OC)cc3C2)cc1)c1cccc(C)c1
Show InChI InChI=1S/C37H41N7O4/c1-5-44(30-9-6-8-25(2)20-30)34(45)27-13-11-26(12-14-27)23-39-36-40-35(38-17-15-31-10-7-19-48-31)41-37(42-36)43-18-16-28-21-32(46-3)33(47-4)22-29(28)24-43/h6-14,19-22H,5,15-18,23-24H2,1-4H3,(H2,38,39,40,41,42)
PDB
MMDB

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PC cid
PC sid
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PubMed
n/an/a 163n/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