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BDBM32396 furan-2-carboxamide deriv., 2

SMILES: CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(NC(=O)c2cc3ccccc3o2)cc1)C1CCCCC1

InChI Key: InChIKey=JFDVHGPZDKQUGQ-CYLJNIGPNA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 32396   
Target
(Institution)
LigandTarget
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


(Homo sapiens (human))
BDBM32396
PNG
(furan-2-carboxamide deriv., 2)
Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(NC(=O)c2cc3ccccc3o2)cc1)C1CCCCC1 |r|
Show InChI InChI=1/C29H29N3O5/c1-30-29(35)26(19-7-3-2-4-8-19)32-27(33)24-16-15-23(36-24)18-11-13-21(14-12-18)31-28(34)25-17-20-9-5-6-10-22(20)37-25/h5-6,9-17,19,26H,2-4,7-8H2,1H3,(H,30,35)(H,31,34)(H,32,33)/t26-/s2
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Article
PubMed
n/an/a 620n/an/an/an/a7.537



Boehringer Ingelheim Pharmaceuticals



Assay Description
MMP-13 was assessed by using the EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.). This kit uses a 5-FAM/QXL 520 fluorescence resonance 10 energy tr...


Bioorg Med Chem Lett 19: 5321-4 (2009)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)