new BindingDB logo
myBDB logout

BDBM50122455 CHEMBL3622488

SMILES: CCN(C(=O)c1ccc(CNc2nc(NCc3ccccc3)nc(n2)N2CCc3ccccc3C2)cc1)c1cccc(C)c1

InChI Key: InChIKey=UXAARJRUKXHTLY-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 = 50122455   
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))
BDBM50122455
PNG
(CHEMBL3622488)
Show SMILES CCN(C(=O)c1ccc(CNc2nc(NCc3ccccc3)nc(n2)N2CCc3ccccc3C2)cc1)c1cccc(C)c1
Show InChI InChI=1S/C36H37N7O/c1-3-43(32-15-9-10-26(2)22-32)33(44)30-18-16-28(17-19-30)24-38-35-39-34(37-23-27-11-5-4-6-12-27)40-36(41-35)42-21-20-29-13-7-8-14-31(29)25-42/h4-19,22H,3,20-21,23-25H2,1-2H3,(H2,37,38,39,40,41)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 61n/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