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BDBM274498 N-(6-(1-(1-(3,3- difluorocyclobutanecarbonyl)piperidin- 4-yl)-4-(4-fluorophenyl)-1H-imidazol-5- yl)imidazo[1,2-b]pyridazin-2-yl)-2- fluoroisonicotinamide::US9556179, Compound 67

SMILES: Fc1ccc(cc1)-c1ncn(C2CCN(CC2)C(=O)C2CC(F)(F)C2)c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1

InChI Key: InChIKey=NNGXIUWTINXVAN-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 = 274498   
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))
BDBM274498
PNG
(N-(6-(1-(1-(3,3- difluorocyclobutanecarbonyl)piper...)
Show SMILES Fc1ccc(cc1)-c1ncn(C2CCN(CC2)C(=O)C2CC(F)(F)C2)c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1
Show InChI InChI=1S/C31H26F4N8O2/c32-21-3-1-18(2-4-21)27-28(42(17-37-27)22-8-11-41(12-9-22)30(45)20-14-31(34,35)15-20)23-5-6-26-38-25(16-43(26)40-23)39-29(44)19-7-10-36-24(33)13-19/h1-7,10,13,16-17,20,22H,8-9,11-12,14-15H2,(H,39,44)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.116n/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))
BDBM274498
PNG
(N-(6-(1-(1-(3,3- difluorocyclobutanecarbonyl)piper...)
Show SMILES Fc1ccc(cc1)-c1ncn(C2CCN(CC2)C(=O)C2CC(F)(F)C2)c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1
Show InChI InChI=1S/C31H26F4N8O2/c32-21-3-1-18(2-4-21)27-28(42(17-37-27)22-8-11-41(12-9-22)30(45)20-14-31(34,35)15-20)23-5-6-26-38-25(16-43(26)40-23)39-29(44)19-7-10-36-24(33)13-19/h1-7,10,13,16-17,20,22H,8-9,11-12,14-15H2,(H,39,44)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
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