new BindingDB logo
myBDB logout

BDBM50142272 CHEMBL3759741

SMILES: Cc1cc(cc(n1)C(=O)NCc1ccc(F)c(Cl)c1)-c1nnn(C[C@H]2CC[C@H](CO)CC2)n1

InChI Key: InChIKey=DKHRFZYFTCOANG-WKILWMFINA-N

Data: 1 KI

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 = 50142272   
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))
BDBM50142272
PNG
(CHEMBL3759741)
Show SMILES Cc1cc(cc(n1)C(=O)NCc1ccc(F)c(Cl)c1)-c1nnn(C[C@H]2CC[C@H](CO)CC2)n1 |r,wU:24.25,wD:27.29,(-2.4,-1.39,;-1.33,-.77,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;2.67,-1.54,;3.73,-.93,;2.66,-3.08,;4,-3.86,;3.99,-5.4,;2.66,-6.16,;2.65,-7.7,;3.98,-8.48,;3.98,-9.71,;5.32,-7.71,;6.39,-8.33,;5.33,-6.17,;,3.08,;1.24,3.97,;.77,5.43,;-.77,5.43,;-1.68,6.67,;-1.05,8.08,;-1.95,9.33,;-1.32,10.73,;.21,10.89,;.84,12.3,;2.07,12.42,;1.11,9.64,;.48,8.24,;-1.25,3.96,)|
Show InChI InChI=1/C23H26ClFN6O2/c1-14-8-18(22-28-30-31(29-22)12-15-2-4-16(13-32)5-3-15)10-21(27-14)23(33)26-11-17-6-7-20(25)19(24)9-17/h6-10,15-16,32H,2-5,11-13H2,1H3,(H,26,33)/t15-,16-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant MMP13 using MCA-Arg-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-Glu-Arg-NH2 as substrate preincubated for 60 mins followe...


J Med Chem 59: 313-27 (2016)


BindingDB Entry DOI: 10.7270/Q20G3N0F
More data for this
Ligand-Target Pair