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BDBM306643 (1S,8R)-N-[(4-carbamimidoyl- 2,6-difluoro-phenyl)methyl]- 12-(1H-pyrazol-l-yl)15- oxatetracyclo[6.6.1.02,7.09,14] pentadeca-2,4,6,9,11,13- hexaene-4-carboxamide::US10144746, Compound 286

SMILES: NC(=N)c1cc(F)c(CNC(=O)c2ccc3[C@H]4O[C@@H](c3c2)c2cc(ccc42)-n2cccn2)c(F)c1

InChI Key: InChIKey=GWKRUJSWYBMOMH-RPWUZVMVSA-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 = 306643   
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))
BDBM306643
PNG
((1S,8R)-N-[(4-carbamimidoyl- 2,6-difluoro-phenyl)m...)
Show SMILES NC(=N)c1cc(F)c(CNC(=O)c2ccc3[C@H]4O[C@@H](c3c2)c2cc(ccc42)-n2cccn2)c(F)c1 |r|
Show InChI InChI=1S/C26H19F2N5O2/c27-21-9-14(25(29)30)10-22(28)20(21)12-31-26(34)13-2-4-16-18(8-13)24-19-11-15(33-7-1-6-32-33)3-5-17(19)23(16)35-24/h1-11,23-24H,12H2,(H3,29,30)(H,31,34)/t23-,24+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.45n/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