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BDBM50122537 CHEMBL3622505

SMILES: CCN(C)C(=O)c1ccc(CNc2ncnc(n2)N2CCc3cc(OC)c(OC)cc3C2)cc1

InChI Key: InChIKey=RQRKUPATGNRGBO-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50122537   
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))
BDBM50122537
PNG
(CHEMBL3622505)
Show SMILES CCN(C)C(=O)c1ccc(CNc2ncnc(n2)N2CCc3cc(OC)c(OC)cc3C2)cc1
Show InChI InChI=1S/C25H30N6O3/c1-5-30(2)23(32)18-8-6-17(7-9-18)14-26-24-27-16-28-25(29-24)31-11-10-19-12-21(33-3)22(34-4)13-20(19)15-31/h6-9,12-13,16H,5,10-11,14-15H2,1-4H3,(H,26,27,28,29)
PDB
MMDB

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PC cid
PC sid
UniChem
PubMed
n/an/a 1.82E+3n/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