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BDBM274541 N-(6-(4-(4-fluorophenyl)- 1-(1-(2-hydroxyethyl) piperidin-4-yl)-1H-imidazol- 5-yl)imidazo[1,2-b] pyridazin-2-yl)quinoline- 4-carboxamide::US9556179, Compound 111

SMILES: OCCN1CCC(CC1)n1cnc(c1-c1ccc2nc(NC(=O)c3ccnc4ccccc34)cn2n1)-c1ccc(F)cc1

InChI Key: InChIKey=HPUMKYKYFKXGEC-UHFFFAOYSA-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 = 274541   
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))
BDBM274541
PNG
(N-(6-(4-(4-fluorophenyl)- 1-(1-(2-hydroxyethyl) pi...)
Show SMILES OCCN1CCC(CC1)n1cnc(c1-c1ccc2nc(NC(=O)c3ccnc4ccccc34)cn2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C32H29FN8O2/c33-22-7-5-21(6-8-22)30-31(40(20-35-30)23-12-15-39(16-13-23)17-18-42)27-9-10-29-36-28(19-41(29)38-27)37-32(43)25-11-14-34-26-4-2-1-3-24(25)26/h1-11,14,19-20,23,42H,12-13,15-18H2,(H,37,43)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.233n/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))
BDBM274541
PNG
(N-(6-(4-(4-fluorophenyl)- 1-(1-(2-hydroxyethyl) pi...)
Show SMILES OCCN1CCC(CC1)n1cnc(c1-c1ccc2nc(NC(=O)c3ccnc4ccccc34)cn2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C32H29FN8O2/c33-22-7-5-21(6-8-22)30-31(40(20-35-30)23-12-15-39(16-13-23)17-18-42)27-9-10-29-36-28(19-41(29)38-27)37-32(43)25-11-14-34-26-4-2-1-3-24(25)26/h1-11,14,19-20,23,42H,12-13,15-18H2,(H,37,43)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.564n/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