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BDBM306559 (1R,8S)-N-[(4- carbamimidoylphenyl) 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 202

SMILES: NC(=N)c1ccc(CNC(=O)c2ccc3[C@H]4O[C@@H](c3c2)c2cc(ccc42)-c2ccc(F)cc2F)cc1

InChI Key: InChIKey=AOLAUOFUQJVDKZ-RRPNLBNLSA-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 = 306559   
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))
BDBM306559
PNG
((1R,8S)-N-[(4- carbamimidoylphenyl) methyl]-12-(2,...)
Show SMILES NC(=N)c1ccc(CNC(=O)c2ccc3[C@H]4O[C@@H](c3c2)c2cc(ccc42)-c2ccc(F)cc2F)cc1 |r|
Show InChI InChI=1S/C29H21F2N3O2/c30-19-7-10-20(25(31)13-19)17-5-8-21-23(11-17)27-24-12-18(6-9-22(24)26(21)36-27)29(35)34-14-15-1-3-16(4-2-15)28(32)33/h1-13,26-27H,14H2,(H3,32,33)(H,34,35)/t26-,27+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1n/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