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BDBM274467 N-(6-(1-(1-(2-cyanoethyl)piperidin-4-yl)-4-(4-fluorophenyl)-1H-imidazol-5-yl)imidazo[1,2-b]pyridazin-2-yl)-2-fluoroisonicotinamide::US9556179, Compound 36

SMILES: Fc1ccc(cc1)-c1ncn(C2CCN(CC[N+]#[C-])CC2)c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1

InChI Key: InChIKey=MMTZJSINMKBUBL-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 = 274467   
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))
BDBM274467
PNG
(N-(6-(1-(1-(2-cyanoethyl)piperidin-4-yl)-4-(4-fluo...)
Show SMILES Fc1ccc(cc1)-c1ncn(C2CCN(CC[N+]#[C-])CC2)c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1
Show InChI InChI=1S/C29H25F2N9O/c1-32-12-15-38-13-9-22(10-14-38)39-18-34-27(19-2-4-21(30)5-3-19)28(39)23-6-7-26-35-25(17-40(26)37-23)36-29(41)20-8-11-33-24(31)16-20/h2-8,11,16-18,22H,9-10,12-15H2,(H,36,41)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.197n/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))
BDBM274467
PNG
(N-(6-(1-(1-(2-cyanoethyl)piperidin-4-yl)-4-(4-fluo...)
Show SMILES Fc1ccc(cc1)-c1ncn(C2CCN(CC[N+]#[C-])CC2)c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1
Show InChI InChI=1S/C29H25F2N9O/c1-32-12-15-38-13-9-22(10-14-38)39-18-34-27(19-2-4-21(30)5-3-19)28(39)23-6-7-26-35-25(17-40(26)37-23)36-29(41)20-8-11-33-24(31)16-20/h2-8,11,16-18,22H,9-10,12-15H2,(H,36,41)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.58n/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