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BDBM274571 (S)-2-fluoro-N-(6-(4-(4- fluorophenyl)-2-methyl-1- (1-(3,3,3-trifluoro-2- hydroxypropyl)piperidin-4- yl)-1H-imidazol-5-yl)imidazo [1,2-b]pyridazin-2- yl)isonicotinamide::US9556179, Compound 143

SMILES: Cc1nc(c(-c2ccc3nc(NC(=O)c4ccnc(F)c4)cn3n2)n1C1CCN(C[C@H](O)C(F)(F)F)CC1)-c1ccc(F)cc1

InChI Key: InChIKey=ODKZDQIAJDXABP-QHCPKHFHSA-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 = 274571   
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))
BDBM274571
PNG
((S)-2-fluoro-N-(6-(4-(4- fluorophenyl)-2-methyl-1-...)
Show SMILES Cc1nc(c(-c2ccc3nc(NC(=O)c4ccnc(F)c4)cn3n2)n1C1CCN(C[C@H](O)C(F)(F)F)CC1)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C30H27F5N8O2/c1-17-37-27(18-2-4-20(31)5-3-18)28(43(17)21-9-12-41(13-10-21)15-23(44)30(33,34)35)22-6-7-26-38-25(16-42(26)40-22)39-29(45)19-8-11-36-24(32)14-19/h2-8,11,14,16,21,23,44H,9-10,12-13,15H2,1H3,(H,39,45)/t23-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.112n/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))
BDBM274571
PNG
((S)-2-fluoro-N-(6-(4-(4- fluorophenyl)-2-methyl-1-...)
Show SMILES Cc1nc(c(-c2ccc3nc(NC(=O)c4ccnc(F)c4)cn3n2)n1C1CCN(C[C@H](O)C(F)(F)F)CC1)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C30H27F5N8O2/c1-17-37-27(18-2-4-20(31)5-3-18)28(43(17)21-9-12-41(13-10-21)15-23(44)30(33,34)35)22-6-7-26-38-25(16-42(26)40-22)39-29(45)19-8-11-36-24(32)14-19/h2-8,11,14,16,21,23,44H,9-10,12-13,15H2,1H3,(H,39,45)/t23-/m0/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.656n/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