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SMILES: NC(=O)c1c2CN(CCn2nc1-c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc2ccncc2c1

InChI Key: InChIKey=MBTMPQASTKJMDH-UHFFFAOYSA-N

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 = 302643   
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))
BDBM302643
PNG
(2-(3,4-Dichlorophenyl)-N5- (isoquinolin-7-yl)-6,7-...)
Show SMILES NC(=O)c1c2CN(CCn2nc1-c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc2ccncc2c1 |$;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;$|
Show InChI InChI=1S/C23H18Cl2N6O2/c24-17-4-2-14(10-18(17)25)21-20(22(26)32)19-12-30(7-8-31(19)29-21)23(33)28-16-3-1-13-5-6-27-11-15(13)9-16/h1-6,9-11H,7-8,12H2,(H2,26,32)(H,28,33)
PDB

UniProtKB/SwissProt

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



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 US9598423 (2017)


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


(Homo sapiens (Human))
BDBM302643
PNG
(2-(3,4-Dichlorophenyl)-N5- (isoquinolin-7-yl)-6,7-...)
Show SMILES NC(=O)c1c2CN(CCn2nc1-c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc2ccncc2c1 |$;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;$|
Show InChI InChI=1S/C23H18Cl2N6O2/c24-17-4-2-14(10-18(17)25)21-20(22(26)32)19-12-30(7-8-31(19)29-21)23(33)28-16-3-1-13-5-6-27-11-15(13)9-16/h1-6,9-11H,7-8,12H2,(H2,26,32)(H,28,33)
PDB

KEGG

UniProtKB/SwissProt

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



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 US9598423 (2017)


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