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BDBM302444 N5-(4-Chlorophenyl)-2- (3-fluorophenyl)-6,7- dihydropyrazolo[1,5-a] pyrazine-3,5(4H)- dicarboxamide::US9598423, Example 10

SMILES: NC(=O)c1c2CN(CCn2nc1-c1cccc(F)c1)C(=O)Nc1ccc(Cl)cc1

InChI Key: InChIKey=BDQDISRBEPOJFU-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 = 302444   
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))
BDBM302444
PNG
(N5-(4-Chlorophenyl)-2- (3-fluorophenyl)-6,7- dihyd...)
Show SMILES NC(=O)c1c2CN(CCn2nc1-c1cccc(F)c1)C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C20H17ClFN5O2/c21-13-4-6-15(7-5-13)24-20(29)26-8-9-27-16(11-26)17(19(23)28)18(25-27)12-2-1-3-14(22)10-12/h1-7,10H,8-9,11H2,(H2,23,28)(H,24,29)
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))
BDBM302444
PNG
(N5-(4-Chlorophenyl)-2- (3-fluorophenyl)-6,7- dihyd...)
Show SMILES NC(=O)c1c2CN(CCn2nc1-c1cccc(F)c1)C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C20H17ClFN5O2/c21-13-4-6-15(7-5-13)24-20(29)26-8-9-27-16(11-26)17(19(23)28)18(25-27)12-2-1-3-14(22)10-12/h1-7,10H,8-9,11H2,(H2,23,28)(H,24,29)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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