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BDBM50102752 CHEMBL3359089

SMILES: COc1cccc(CNC(=O)c2nc3ccc(F)c(OCCc4ccc(F)cc4)c3c(=O)[nH]2)c1

InChI Key: InChIKey=CGTQGAKXKXGOMB-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50102752   
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
Collagenase 3


(Homo sapiens (Human))
BDBM50102752
PNG
(CHEMBL3359089)
Show SMILES COc1cccc(CNC(=O)c2nc3ccc(F)c(OCCc4ccc(F)cc4)c3c(=O)[nH]2)c1
Show InChI InChI=1S/C25H21F2N3O4/c1-33-18-4-2-3-16(13-18)14-28-25(32)23-29-20-10-9-19(27)22(21(20)24(31)30-23)34-12-11-15-5-7-17(26)8-6-15/h2-10,13H,11-12,14H2,1H3,(H,28,32)(H,29,30,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.150n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP13 using Cy3-PLGLK(Cy5Q)AR-NH2 as substrate after 40 mins by spectrofluorimetry


J Med Chem 57: 8886-902 (2014)


Article DOI: 10.1021/jm500981k
BindingDB Entry DOI: 10.7270/Q28P628P
More data for this
Ligand-Target Pair