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BDBM306641 (1S,8R)-N-[(4- carbamimidoylphenyl) methyl]-12-(2- fluoropropan-2-yl)-15- oxatetracyclo- [6.6.1.02,7.09,14]pentadeca- 2,4,6,9,11,13-hexaene-4- carboxamide::US10144746, Compound 284

SMILES: CC(C)(F)c1ccc2[C@@H]3O[C@@H](c4cc(ccc34)C(=O)NCc3ccc(cc3)C(N)=N)c2c1

InChI Key: InChIKey=RYCBNERCLXZHOG-PKTZIBPZSA-N

Data: 1 IC50

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 = 306641   
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))
BDBM306641
PNG
((1S,8R)-N-[(4- carbamimidoylphenyl) methyl]-12-(2-...)
Show SMILES CC(C)(F)c1ccc2[C@@H]3O[C@@H](c4cc(ccc34)C(=O)NCc3ccc(cc3)C(N)=N)c2c1 |r|
Show InChI InChI=1S/C26H24FN3O2/c1-26(2,27)17-8-10-19-21(12-17)23-20-11-16(7-9-18(20)22(19)32-23)25(31)30-13-14-3-5-15(6-4-14)24(28)29/h3-12,22-23H,13H2,1-2H3,(H3,28,29)(H,30,31)/t22-,23+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 6.31n/an/an/an/an/an/a



Global Blood Therapeutics, Inc.

US Patent


Assay Description
The chromogenic substrate D-Pro-Phe-Arg-pNa, 2HCl (BIOPHEN CS-31(02) from Hyphen BioMed, Neuville-Sur-oise, France) was dissolved in 5 mL deionized w...


US Patent US10144746 (2018)


BindingDB Entry DOI: 10.7270/Q2J38VNH
More data for this
Ligand-Target Pair