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BDBM274547 (S)—N-(6-(4-(4-fluorophenyl)-1-(1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-yl)-1H-imidazol-5-yl)imidazo[1,2-b]pyridazin-2-yl)thiazole-5-carboxamide::US9556179, Compound 118

SMILES: O[C@@H](CN1CCC(CC1)n1cnc(c1-c1ccc2nc(NC(=O)c3cncs3)cn2n1)-c1ccc(F)cc1)C(F)(F)F

InChI Key: InChIKey=OTERUHMPWDRSLR-NRFANRHFSA-N

Data: 2 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 2 hits for monomerid = 274547   
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
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM274547
PNG
((S)—N-(6-(4-(4-fluorophenyl)-1-(1-(3,3,3-trif...)
Show SMILES O[C@@H](CN1CCC(CC1)n1cnc(c1-c1ccc2nc(NC(=O)c3cncs3)cn2n1)-c1ccc(F)cc1)C(F)(F)F |r|
Show InChI InChI=1S/C27H24F4N8O2S/c28-17-3-1-16(2-4-17)24-25(38(14-33-24)18-7-9-37(10-8-18)12-21(40)27(29,30)31)19-5-6-23-34-22(13-39(23)36-19)35-26(41)20-11-32-15-42-20/h1-6,11,13-15,18,21,40H,7-10,12H2,(H,35,41)/t21-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.194n/an/an/an/a7.425



Bristol-Myers Squibb Company

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 US9556179 (2017)


BindingDB Entry DOI: 10.7270/Q2G73GR5
More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM274547
PNG
((S)—N-(6-(4-(4-fluorophenyl)-1-(1-(3,3,3-trif...)
Show SMILES O[C@@H](CN1CCC(CC1)n1cnc(c1-c1ccc2nc(NC(=O)c3cncs3)cn2n1)-c1ccc(F)cc1)C(F)(F)F |r|
Show InChI InChI=1S/C27H24F4N8O2S/c28-17-3-1-16(2-4-17)24-25(38(14-33-24)18-7-9-37(10-8-18)12-21(40)27(29,30)31)19-5-6-23-34-22(13-39(23)36-19)35-26(41)20-11-32-15-42-20/h1-6,11,13-15,18,21,40H,7-10,12H2,(H,35,41)/t21-/m0/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.182n/an/an/an/a7.425



Bristol-Myers Squibb Company

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 US9556179 (2017)


BindingDB Entry DOI: 10.7270/Q2G73GR5
More data for this
Ligand-Target Pair