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BDBM306497 (1R,8S)-N-[(6-amino-2,4- dimethylpyridin-3-yl)-methyl]-12- (4-chloro-2-cyanophenyl)-15- oxatetracyclo[6.6.1.02,7.09,14] pentadeca-2,4,6,9,11,13- hexaene-4-carboxamide::US10144746, Compound 139

SMILES: Cc1cc(N)nc(C)c1CNC(=O)c1ccc2[C@H]3O[C@@H](c2c1)c1cc(ccc31)-c1ccc(Cl)cc1C#N

InChI Key: InChIKey=IZTZNFYCAUXHCR-URLMMPGGSA-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 = 306497   
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))
BDBM306497
PNG
((1R,8S)-N-[(6-amino-2,4- dimethylpyridin-3-yl)-met...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1ccc2[C@H]3O[C@@H](c2c1)c1cc(ccc31)-c1ccc(Cl)cc1C#N |r|
Show InChI InChI=1S/C30H23ClN4O2/c1-15-9-27(33)35-16(2)26(15)14-34-30(36)18-4-7-23-25(12-18)29-24-11-17(3-6-22(24)28(23)37-29)21-8-5-20(31)10-19(21)13-32/h3-12,28-29H,14H2,1-2H3,(H2,33,35)(H,34,36)/t28-,29+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.02n/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