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BDBM50113831 2,2-Difluoro-3-hydroxy-6-methyl-4-{3-methyl-2-[3-methyl-2-(3-methyl-butyrylamino)-butyrylamino]-butyrylamino}-heptanoic acid methylamide::CHEMBL313988

SMILES: CNC(=O)C(F)(F)C(O)[C@@H](CC(C)C)NC(=O)C(NC(=O)C(NC(=O)CC(C)C)C(C)C)C(C)C

InChI Key: InChIKey=IGGJFTNHYZUFNB-WCCXYEOISA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50113831   
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
Penicillopepsin


(Penicillium janthinellum)
BDBM50113831
PNG
(2,2-Difluoro-3-hydroxy-6-methyl-4-{3-methyl-2-[3-m...)
Show SMILES CNC(=O)C(F)(F)C(O)[C@@H](CC(C)C)NC(=O)C(NC(=O)C(NC(=O)CC(C)C)C(C)C)C(C)C
Show InChI InChI=1S/C24H44F2N4O5/c1-12(2)10-16(20(32)24(25,26)23(35)27-9)28-21(33)19(15(7)8)30-22(34)18(14(5)6)29-17(31)11-13(3)4/h12-16,18-20,32H,10-11H2,1-9H3,(H,27,35)(H,28,33)(H,29,31)(H,30,34)/t16-,18?,19?,20?/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.00E+4n/an/an/an/an/an/an/an/a



University of Parma

Curated by ChEMBL


Assay Description
Binding affinity against penicillopepsin


J Med Chem 45: 2469-83 (2002)


BindingDB Entry DOI: 10.7270/Q28916J7
More data for this
Ligand-Target Pair