BindingDB logo
myBDB logout

BDBM332811 US10196390, Compound I-83

SMILES: Fc1cccc(c1-c1nc2CNC(=O)c2c(Nc2ccc(CC(=O)NC3CCNCC3)cc2)n1)C(F)(F)F

InChI Key: InChIKey=ADZUDEITKDOTQC-UHFFFAOYSA-N

Data: 2 KI

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 2 hits for monomerid = 332811   
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
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM332811
PNG
(US10196390, Compound I-83)
Show SMILES Fc1cccc(c1-c1nc2CNC(=O)c2c(Nc2ccc(CC(=O)NC3CCNCC3)cc2)n1)C(F)(F)F
Show InChI InChI=1S/C26H24F4N6O2/c27-18-3-1-2-17(26(28,29)30)21(18)23-35-19-13-32-25(38)22(19)24(36-23)34-15-6-4-14(5-7-15)12-20(37)33-16-8-10-31-11-9-16/h1-7,16,31H,8-13H2,(H,32,38)(H,33,37)(H,34,35,36)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
55n/an/an/an/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent


Assay Description
The caliper machine employs an off chip mobility shift assay to detect phosphorylated peptide substrates from kinase assays, using microfluidics tech...


US Patent US10196390 (2019)


BindingDB Entry DOI: 10.7270/Q22809Q4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM332811
PNG
(US10196390, Compound I-83)
Show SMILES Fc1cccc(c1-c1nc2CNC(=O)c2c(Nc2ccc(CC(=O)NC3CCNCC3)cc2)n1)C(F)(F)F
Show InChI InChI=1S/C26H24F4N6O2/c27-18-3-1-2-17(26(28,29)30)21(18)23-35-19-13-32-25(38)22(19)24(36-23)34-15-6-4-14(5-7-15)12-20(37)33-16-8-10-31-11-9-16/h1-7,16,31H,8-13H2,(H,32,38)(H,33,37)(H,34,35,36)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
550n/an/an/an/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent




US Patent US10196390 (2019)


BindingDB Entry DOI: 10.7270/Q22809Q4
More data for this
Ligand-Target Pair