new BindingDB logo
myBDB logout

BDBM50122450 CHEMBL3622493

SMILES: CCN(C(=O)c1ccc(CNc2ncnc(n2)N2CCc3ccccc3C2)cc1)c1cccc(C)c1

InChI Key: InChIKey=HOOPQXOXPIELBC-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50122450   
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))
BDBM50122450
PNG
(CHEMBL3622493)
Show SMILES CCN(C(=O)c1ccc(CNc2ncnc(n2)N2CCc3ccccc3C2)cc1)c1cccc(C)c1
Show InChI InChI=1S/C29H30N6O/c1-3-35(26-10-6-7-21(2)17-26)27(36)24-13-11-22(12-14-24)18-30-28-31-20-32-29(33-28)34-16-15-23-8-4-5-9-25(23)19-34/h4-14,17,20H,3,15-16,18-19H2,1-2H3,(H,30,31,32,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 63n/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