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BDBM274545 N-(6-(4-(4-fluorophenyl)-1-(1-(isoxazole-3-carbonyl)piperidin-4-yl)-1H-imidazol-5-yl)imidazo[1,2-b]pyridazin-2-yl)thiazole-5-carboxamide::US9556179, Compound 116

SMILES: Fc1ccc(cc1)-c1ncn(C2CCN(CC2)C(=O)c2ccon2)c1-c1ccc2nc(NC(=O)c3cncs3)cn2n1

InChI Key: InChIKey=KDNAEADOMKMVFP-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 = 274545   
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))
BDBM274545
PNG
(N-(6-(4-(4-fluorophenyl)-1-(1-(isoxazole-3-carbony...)
Show SMILES Fc1ccc(cc1)-c1ncn(C2CCN(CC2)C(=O)c2ccon2)c1-c1ccc2nc(NC(=O)c3cncs3)cn2n1
Show InChI InChI=1S/C28H22FN9O3S/c29-18-3-1-17(2-4-18)25-26(37(15-31-25)19-7-10-36(11-8-19)28(40)21-9-12-41-35-21)20-5-6-24-32-23(14-38(24)34-20)33-27(39)22-13-30-16-42-22/h1-6,9,12-16,19H,7-8,10-11H2,(H,33,39)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.173n/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))
BDBM274545
PNG
(N-(6-(4-(4-fluorophenyl)-1-(1-(isoxazole-3-carbony...)
Show SMILES Fc1ccc(cc1)-c1ncn(C2CCN(CC2)C(=O)c2ccon2)c1-c1ccc2nc(NC(=O)c3cncs3)cn2n1
Show InChI InChI=1S/C28H22FN9O3S/c29-18-3-1-17(2-4-18)25-26(37(15-31-25)19-7-10-36(11-8-19)28(40)21-9-12-41-35-21)20-5-6-24-32-23(14-38(24)34-20)33-27(39)22-13-30-16-42-22/h1-6,9,12-16,19H,7-8,10-11H2,(H,33,39)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.372n/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