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SMILES: NC(=O)c1c2CN(CCn2nc1-c1cccc(F)c1)C(=O)NC12CC3CC(CC(C3)C1)C2

InChI Key: InChIKey=JAOOHEPKWZWHKR-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 = 302456   
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))
BDBM302456
PNG
(N5-(Adamantan-1-yl)-2- (3-fluorophenyl)-6,7- dihyd...)
Show SMILES NC(=O)c1c2CN(CCn2nc1-c1cccc(F)c1)C(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:25:26:30:23.24.29,29:24:31:30.28.27,29:28:31:23.25.24,THB:25:24:30:31.26.27|
Show InChI InChI=1S/C24H28FN5O2/c25-18-3-1-2-17(9-18)21-20(22(26)31)19-13-29(4-5-30(19)28-21)23(32)27-24-10-14-6-15(11-24)8-16(7-14)12-24/h1-3,9,14-16H,4-8,10-13H2,(H2,26,31)(H,27,32)
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))
BDBM302456
PNG
(N5-(Adamantan-1-yl)-2- (3-fluorophenyl)-6,7- dihyd...)
Show SMILES NC(=O)c1c2CN(CCn2nc1-c1cccc(F)c1)C(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:25:26:30:23.24.29,29:24:31:30.28.27,29:28:31:23.25.24,THB:25:24:30:31.26.27|
Show InChI InChI=1S/C24H28FN5O2/c25-18-3-1-2-17(9-18)21-20(22(26)31)19-13-29(4-5-30(19)28-21)23(32)27-24-10-14-6-15(11-24)8-16(7-14)12-24/h1-3,9,14-16H,4-8,10-13H2,(H2,26,31)(H,27,32)
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