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BDBM302806 US9598423, Example A36

SMILES: NC(=O)c1c2CN(CC3(CC(F)(F)C3)n2nc1-c1ccc(F)c(Cl)c1)C(=O)Nc1ccc(cc1)[N+]#[C-]

InChI Key: InChIKey=IJKCFFQVMUMGBF-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 302806   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Casein kinase I delta


(Homo sapiens (Human))
BDBM302806
PNG
(US9598423, Example A36)
Show SMILES NC(=O)c1c2CN(CC3(CC(F)(F)C3)n2nc1-c1ccc(F)c(Cl)c1)C(=O)Nc1ccc(cc1)[N+]#[C-]
Show InChI InChI=1S/C24H18ClF3N6O2/c1-30-14-3-5-15(6-4-14)31-22(36)33-9-18-19(21(29)35)20(13-2-7-17(26)16(25)8-13)32-34(18)23(12-33)10-24(27,28)11-23/h2-8H,9-12H2,(H2,29,35)(H,31,36)
PDB

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UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<10n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

US Patent


Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9598423 (2017)


BindingDB Entry DOI: 10.7270/Q2FJ2JT9
More data for this
Ligand-Target Pair
Casein kinase I epsilon


(Homo sapiens (Human))
BDBM302806
PNG
(US9598423, Example A36)
Show SMILES NC(=O)c1c2CN(CC3(CC(F)(F)C3)n2nc1-c1ccc(F)c(Cl)c1)C(=O)Nc1ccc(cc1)[N+]#[C-]
Show InChI InChI=1S/C24H18ClF3N6O2/c1-30-14-3-5-15(6-4-14)31-22(36)33-9-18-19(21(29)35)20(13-2-7-17(26)16(25)8-13)32-34(18)23(12-33)10-24(27,28)11-23/h2-8H,9-12H2,(H2,29,35)(H,31,36)
PDB

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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<10n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

US Patent


Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9598423 (2017)


BindingDB Entry DOI: 10.7270/Q2FJ2JT9
More data for this
Ligand-Target Pair