BindingDB logo
myBDB logout

null

SMILES: Cn1cnc(c1)S(=O)(=O)n1cc2CN(Cc2n1)[C@H]1CO[C@@H]([C@@H](N)C1)c1cc(F)ccc1F

InChI Key: InChIKey=KCJYWQHVMNKDHV-CFLQYTFWSA-N

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 = 50135009   
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
Prolyl endopeptidase FAP


(Bos taurus)		BDBM50135009
PNG
(CHEMBL3736423)
Show SMILES Cn1cnc(c1)S(=O)(=O)n1cc2CN(Cc2n1)[C@H]1CO[C@@H]([C@@H](N)C1)c1cc(F)ccc1F |r|
Show InChI InChI=1S/C20H22F2N6O3S/c1-26-9-19(24-11-26)32(29,30)28-7-12-6-27(8-18(12)25-28)14-5-17(23)20(31-10-14)15-4-13(21)2-3-16(15)22/h2-4,7,9,11,14,17,20H,5-6,8,10,23H2,1H3/t14-,17+,20-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 9.50E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of bovine serum FAP

Bioorg Med Chem Lett 25: 5767-71 (2015)


BindingDB Entry DOI: 10.7270/Q208675S
More data for this
Ligand-Target Pair