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BDBM168221 US9669031, 50 N-[6-[(8-chloro-4′,4′-difluoro-1,5-dioxo-spiro[2H-imidazo[1,5-a]pyridine-3,1′-cyclohexane]-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide (Cpd. No. 50)::US9669031, 99 6-[(6-aminopyrimidin-4-yl)amino]-8-chloro-4′,4′-difluoro-spiro[2H-imidazo[1,5-a]pyridine-3,1′-cyclohexane]-1,5-dione hydrochloride (Cpd. No. 99)

SMILES: FC1(F)CCC2(CC1)NC(=O)c1c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n21

InChI Key: InChIKey=WUCBMAZIUGCYRG-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 168221   
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
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (human))
BDBM168221
PNG
(US9669031, 50 N-[6-[(8-chloro-4′,4′-di...)
Show SMILES FC1(F)CCC2(CC1)NC(=O)c1c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n21
Show InChI InChI=1S/C20H19ClF2N6O3/c21-11-7-12(26-13-8-14(25-9-24-13)27-16(30)10-1-2-10)18(32)29-15(11)17(31)28-20(29)5-3-19(22,23)4-6-20/h7-10H,1-6H2,(H,28,31)(H2,24,25,26,27,30)
PDB
MMDB

NCI pathway
Reactome pathway
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UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<10n/an/an/an/an/a25



eFFECTOR THERAPEUTICS, INC.

US Patent


Assay Description
Compounds are screened for Mnk inhibition using the ADP-Glo kinase assay kit (Promega, catalogue No. V9101). All kinase reactions are performed in Re...


US Patent US9669031 (2017)


BindingDB Entry DOI: 10.7270/Q26Q1VDT
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM168221
PNG
(US9669031, 50 N-[6-[(8-chloro-4′,4′-di...)
Show SMILES FC1(F)CCC2(CC1)NC(=O)c1c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n21
Show InChI InChI=1S/C20H19ClF2N6O3/c21-11-7-12(26-13-8-14(25-9-24-13)27-16(30)10-1-2-10)18(32)29-15(11)17(31)28-20(29)5-3-19(22,23)4-6-20/h7-10H,1-6H2,(H,28,31)(H2,24,25,26,27,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<10n/an/an/an/an/a25



eFFECTOR THERAPEUTICS, INC.

US Patent


Assay Description
Compounds are screened for Mnk inhibition using the ADP-Glo kinase assay kit (Promega, catalogue No. V9101). All kinase reactions are performed in Re...


US Patent US9669031 (2017)


BindingDB Entry DOI: 10.7270/Q26Q1VDT
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (human))
BDBM168221
PNG
(US9669031, 50 N-[6-[(8-chloro-4′,4′-di...)
Show SMILES FC1(F)CCC2(CC1)NC(=O)c1c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n21
Show InChI InChI=1S/C20H19ClF2N6O3/c21-11-7-12(26-13-8-14(25-9-24-13)27-16(30)10-1-2-10)18(32)29-15(11)17(31)28-20(29)5-3-19(22,23)4-6-20/h7-10H,1-6H2,(H,28,31)(H2,24,25,26,27,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<10n/an/an/an/an/a25



eFFECTOR THERAPEUTICS, INC.

US Patent


Assay Description
Compounds are screened for Mnk inhibition using the ADP-Glo kinase assay kit (Promega, catalogue No. V9101). All kinase reactions are performed in Re...


US Patent US9669031 (2017)


BindingDB Entry DOI: 10.7270/Q26Q1VDT
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM168221
PNG
(US9669031, 50 N-[6-[(8-chloro-4′,4′-di...)
Show SMILES FC1(F)CCC2(CC1)NC(=O)c1c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n21
Show InChI InChI=1S/C20H19ClF2N6O3/c21-11-7-12(26-13-8-14(25-9-24-13)27-16(30)10-1-2-10)18(32)29-15(11)17(31)28-20(29)5-3-19(22,23)4-6-20/h7-10H,1-6H2,(H,28,31)(H2,24,25,26,27,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<10n/an/an/an/an/a25



eFFECTOR THERAPEUTICS, INC.

US Patent


Assay Description
Compounds are screened for Mnk inhibition using the ADP-Glo kinase assay kit (Promega, catalogue No. V9101). All kinase reactions are performed in Re...


US Patent US9669031 (2017)


BindingDB Entry DOI: 10.7270/Q26Q1VDT
More data for this
Ligand-Target Pair