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BDBM302807 US9598423, Example A37

SMILES: NC(=O)c1c2CN(CCn2nc1-c1cccc(Cl)c1)C(=O)Nc1ccc(C#N)c(c1)N1CCOCC1

InChI Key: InChIKey=BUILQJRMGBADET-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 = 302807   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Casein kinase I delta


(Homo sapiens (Human))
BDBM302807
PNG
(US9598423, Example A37)
Show SMILES NC(=O)c1c2CN(CCn2nc1-c1cccc(Cl)c1)C(=O)Nc1ccc(C#N)c(c1)N1CCOCC1
Show InChI InChI=1S/C25H24ClN7O3/c26-18-3-1-2-16(12-18)23-22(24(28)34)21-15-32(6-7-33(21)30-23)25(35)29-19-5-4-17(14-27)20(13-19)31-8-10-36-11-9-31/h1-5,12-13H,6-11,15H2,(H2,28,34)(H,29,35)
PDB

Reactome pathway

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<10n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

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 US9598423 (2017)


BindingDB Entry DOI: 10.7270/Q2FJ2JT9
More data for this
Ligand-Target Pair
Casein kinase I epsilon


(Homo sapiens (Human))
BDBM302807
PNG
(US9598423, Example A37)
Show SMILES NC(=O)c1c2CN(CCn2nc1-c1cccc(Cl)c1)C(=O)Nc1ccc(C#N)c(c1)N1CCOCC1
Show InChI InChI=1S/C25H24ClN7O3/c26-18-3-1-2-16(12-18)23-22(24(28)34)21-15-32(6-7-33(21)30-23)25(35)29-19-5-4-17(14-27)20(13-19)31-8-10-36-11-9-31/h1-5,12-13H,6-11,15H2,(H2,28,34)(H,29,35)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<10n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

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 US9598423 (2017)


BindingDB Entry DOI: 10.7270/Q2FJ2JT9
More data for this
Ligand-Target Pair