BindingDB logo
myBDB logout

null

SMILES: NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cccc(c1)C(=C\CC1CC1)\c1ccccc1)C(F)(F)F

InChI Key: InChIKey=VKLRLOSKQDEQAH-CVKSISIWSA-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 2 hits for monomerid = 416760   
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
Plasma kallikrein


(Homo sapiens (Human))
BDBM416760
PNG
((E/Z)-1-(3-(Aminomethyl)phenyl)-N-(3-(3-cyclopropy...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cccc(c1)C(=C\CC1CC1)\c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C30H27F3N4O/c31-30(32,33)28-18-27(37(36-28)25-11-4-6-21(16-25)19-34)29(38)35-24-10-5-9-23(17-24)26(15-14-20-12-13-20)22-7-2-1-3-8-22/h1-11,15-18,20H,12-14,19,34H2,(H,35,38)/b26-15+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
25.1n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM416760
PNG
((E/Z)-1-(3-(Aminomethyl)phenyl)-N-(3-(3-cyclopropy...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cccc(c1)C(=C\CC1CC1)\c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C30H27F3N4O/c31-30(32,33)28-18-27(37(36-28)25-11-4-6-21(16-25)19-34)29(38)35-24-10-5-9-23(17-24)26(15-14-20-12-13-20)22-7-2-1-3-8-22/h1-11,15-18,20H,12-14,19,34H2,(H,35,38)/b26-15+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
25.1n/an/an/an/an/an/an/an/a



BioCryst Pharmaceuticals, Inc.

US Patent


Assay Description
The effect of compounds of the invention on human plasma kallikrein activity was determined using the chromogenic substrates (DiaPharma Group, Inc., ...


US Patent US10329260 (2019)


BindingDB Entry DOI: 10.7270/Q2R78HM5
More data for this
Ligand-Target Pair