BindingDB logo
myBDB logout

BDBM274439 (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)isonicotinamide::US9556179, Compound 8

SMILES: O[C@@H](CN1CCC(CC1)n1cnc(c1-c1ccc2nc(NC(=O)c3ccncc3)cn2n1)-c1ccc(F)cc1)C(F)(F)F

InChI Key: InChIKey=SSHWVLCETWOFII-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 = 274439   
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))
BDBM274439
PNG
((S)-N-(6-(4-(4-fluorophenyl)-1-(1-(3,3,3- trifluor...)
Show SMILES O[C@@H](CN1CCC(CC1)n1cnc(c1-c1ccc2nc(NC(=O)c3ccncc3)cn2n1)-c1ccc(F)cc1)C(F)(F)F |r|
Show InChI InChI=1S/C29H26F4N8O2/c30-20-3-1-18(2-4-20)26-27(40(17-35-26)21-9-13-39(14-10-21)15-23(42)29(31,32)33)22-5-6-25-36-24(16-41(25)38-22)37-28(43)19-7-11-34-12-8-19/h1-8,11-12,16-17,21,23,42H,9-10,13-15H2,(H,37,43)/t23-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.195n/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))
BDBM274439
PNG
((S)-N-(6-(4-(4-fluorophenyl)-1-(1-(3,3,3- trifluor...)
Show SMILES O[C@@H](CN1CCC(CC1)n1cnc(c1-c1ccc2nc(NC(=O)c3ccncc3)cn2n1)-c1ccc(F)cc1)C(F)(F)F |r|
Show InChI InChI=1S/C29H26F4N8O2/c30-20-3-1-18(2-4-20)26-27(40(17-35-26)21-9-13-39(14-10-21)15-23(42)29(31,32)33)22-5-6-25-36-24(16-41(25)38-22)37-28(43)19-7-11-34-12-8-19/h1-8,11-12,16-17,21,23,42H,9-10,13-15H2,(H,37,43)/t23-/m0/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.225n/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