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BDBM306693 (1R,8S)-N-[(4-carbamimidoyl- 3-methoxyphenyl)-methyl]- 12-(2,4-difluorophenyl)-15- oxatetracyclo[6.6.1.02,7.09,14] pentadeca-2,4,6,9,11,13- hexaene-4-carboxamide::US10144746, Compound 338

SMILES: COc1cc(CNC(=O)c2ccc3[C@H]4O[C@@H](c3c2)c2cc(ccc42)-c2ccc(F)cc2F)ccc1C(N)=N

InChI Key: InChIKey=ZCCYKYKIGXITPO-WUFINQPMSA-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 = 306693   
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))
BDBM306693
PNG
((1R,8S)-N-[(4-carbamimidoyl- 3-methoxyphenyl)-meth...)
Show SMILES COc1cc(CNC(=O)c2ccc3[C@H]4O[C@@H](c3c2)c2cc(ccc42)-c2ccc(F)cc2F)ccc1C(N)=N |r|
Show InChI InChI=1S/C30H23F2N3O3/c1-37-26-10-15(2-6-22(26)29(33)34)14-35-30(36)17-4-8-21-24(12-17)28-23-11-16(3-7-20(23)27(21)38-28)19-9-5-18(31)13-25(19)32/h2-13,27-28H,14H2,1H3,(H3,33,34)(H,35,36)/t27-,28+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5.89n/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