BindingDB logo
myBDB logout

null

SMILES: CC(C)c1[nH]nc(c1-c1ccnc(Nc2ccc(cn2)N2CCC(CC2)N(C)C)n1)C(F)(F)F

InChI Key: InChIKey=DBZXYASRLGQZEQ-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 17 hits for monomerid = 50330262   
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
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))
BDBM50330262
PNG
(CHEMBL1272171 | N*6'*-[4-(5-Isopropyl-3-trifluorom...)
Show SMILES CC(C)c1[nH]nc(c1-c1ccnc(Nc2ccc(cn2)N2CCC(CC2)N(C)C)n1)C(F)(F)F
Show InChI InChI=1S/C23H29F3N8/c1-14(2)20-19(21(32-31-20)23(24,25)26)17-7-10-27-22(29-17)30-18-6-5-16(13-28-18)34-11-8-15(9-12-34)33(3)4/h5-7,10,13-15H,8-9,11-12H2,1-4H3,(H,31,32)(H,27,28,29,30)
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 79n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK4/cyclin D1 expressed in baculovirus infected Sf21 cells after 60 mins by TR-FRET assay


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
BindingDB Entry DOI: 10.7270/Q2T72HQV
More data for this
Ligand-Target Pair
Lysine--tRNA ligase


(Homo sapiens (Human))
BDBM50330262
PNG
(CHEMBL1272171 | N*6'*-[4-(5-Isopropyl-3-trifluorom...)
Show SMILES CC(C)c1[nH]nc(c1-c1ccnc(Nc2ccc(cn2)N2CCC(CC2)N(C)C)n1)C(F)(F)F
Show InChI InChI=1S/C23H29F3N8/c1-14(2)20-19(21(32-31-20)23(24,25)26)17-7-10-27-22(29-17)30-18-6-5-16(13-28-18)34-11-8-15(9-12-34)33(3)4/h5-7,10,13-15H,8-9,11-12H2,1-4H3,(H,31,32)(H,27,28,29,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of SYK


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
BindingDB Entry DOI: 10.7270/Q2T72HQV
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50330262
PNG
(CHEMBL1272171 | N*6'*-[4-(5-Isopropyl-3-trifluorom...)
Show SMILES CC(C)c1[nH]nc(c1-c1ccnc(Nc2ccc(cn2)N2CCC(CC2)N(C)C)n1)C(F)(F)F
Show InChI InChI=1S/C23H29F3N8/c1-14(2)20-19(21(32-31-20)23(24,25)26)17-7-10-27-22(29-17)30-18-6-5-16(13-28-18)34-11-8-15(9-12-34)33(3)4/h5-7,10,13-15H,8-9,11-12H2,1-4H3,(H,31,32)(H,27,28,29,30)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of ALK


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
BindingDB Entry DOI: 10.7270/Q2T72HQV
More data for this
Ligand-Target Pair
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50330262
PNG
(CHEMBL1272171 | N*6'*-[4-(5-Isopropyl-3-trifluorom...)
Show SMILES CC(C)c1[nH]nc(c1-c1ccnc(Nc2ccc(cn2)N2CCC(CC2)N(C)C)n1)C(F)(F)F
Show InChI InChI=1S/C23H29F3N8/c1-14(2)20-19(21(32-31-20)23(24,25)26)17-7-10-27-22(29-17)30-18-6-5-16(13-28-18)34-11-8-15(9-12-34)33(3)4/h5-7,10,13-15H,8-9,11-12H2,1-4H3,(H,31,32)(H,27,28,29,30)
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.40E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK2/cyclin A after 2 hrs by IMAP-FP assay


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
BindingDB Entry DOI: 10.7270/Q2T72HQV
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50330262
PNG
(CHEMBL1272171 | N*6'*-[4-(5-Isopropyl-3-trifluorom...)
Show SMILES CC(C)c1[nH]nc(c1-c1ccnc(Nc2ccc(cn2)N2CCC(CC2)N(C)C)n1)C(F)(F)F
Show InChI InChI=1S/C23H29F3N8/c1-14(2)20-19(21(32-31-20)23(24,25)26)17-7-10-27-22(29-17)30-18-6-5-16(13-28-18)34-11-8-15(9-12-34)33(3)4/h5-7,10,13-15H,8-9,11-12H2,1-4H3,(H,31,32)(H,27,28,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 557n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of CDK4 in human Jeko1 cells assessed as phosphorylated pRb at Ser780 level after 2 hrs by ELISA


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
BindingDB Entry DOI: 10.7270/Q2T72HQV
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50330262
PNG
(CHEMBL1272171 | N*6'*-[4-(5-Isopropyl-3-trifluorom...)
Show SMILES CC(C)c1[nH]nc(c1-c1ccnc(Nc2ccc(cn2)N2CCC(CC2)N(C)C)n1)C(F)(F)F
Show InChI InChI=1S/C23H29F3N8/c1-14(2)20-19(21(32-31-20)23(24,25)26)17-7-10-27-22(29-17)30-18-6-5-16(13-28-18)34-11-8-15(9-12-34)33(3)4/h5-7,10,13-15H,8-9,11-12H2,1-4H3,(H,31,32)(H,27,28,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of ERK2


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
BindingDB Entry DOI: 10.7270/Q2T72HQV
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM50330262
PNG
(CHEMBL1272171 | N*6'*-[4-(5-Isopropyl-3-trifluorom...)
Show SMILES CC(C)c1[nH]nc(c1-c1ccnc(Nc2ccc(cn2)N2CCC(CC2)N(C)C)n1)C(F)(F)F
Show InChI InChI=1S/C23H29F3N8/c1-14(2)20-19(21(32-31-20)23(24,25)26)17-7-10-27-22(29-17)30-18-6-5-16(13-28-18)34-11-8-15(9-12-34)33(3)4/h5-7,10,13-15H,8-9,11-12H2,1-4H3,(H,31,32)(H,27,28,29,30)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of FGFR4


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
BindingDB Entry DOI: 10.7270/Q2T72HQV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50330262
PNG
(CHEMBL1272171 | N*6'*-[4-(5-Isopropyl-3-trifluorom...)
Show SMILES CC(C)c1[nH]nc(c1-c1ccnc(Nc2ccc(cn2)N2CCC(CC2)N(C)C)n1)C(F)(F)F
Show InChI InChI=1S/C23H29F3N8/c1-14(2)20-19(21(32-31-20)23(24,25)26)17-7-10-27-22(29-17)30-18-6-5-16(13-28-18)34-11-8-15(9-12-34)33(3)4/h5-7,10,13-15H,8-9,11-12H2,1-4H3,(H,31,32)(H,27,28,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
BindingDB Entry DOI: 10.7270/Q2T72HQV
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50330262
PNG
(CHEMBL1272171 | N*6'*-[4-(5-Isopropyl-3-trifluorom...)
Show SMILES CC(C)c1[nH]nc(c1-c1ccnc(Nc2ccc(cn2)N2CCC(CC2)N(C)C)n1)C(F)(F)F
Show InChI InChI=1S/C23H29F3N8/c1-14(2)20-19(21(32-31-20)23(24,25)26)17-7-10-27-22(29-17)30-18-6-5-16(13-28-18)34-11-8-15(9-12-34)33(3)4/h5-7,10,13-15H,8-9,11-12H2,1-4H3,(H,31,32)(H,27,28,29,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of JAK1


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
BindingDB Entry DOI: 10.7270/Q2T72HQV
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50330262
PNG
(CHEMBL1272171 | N*6'*-[4-(5-Isopropyl-3-trifluorom...)
Show SMILES CC(C)c1[nH]nc(c1-c1ccnc(Nc2ccc(cn2)N2CCC(CC2)N(C)C)n1)C(F)(F)F
Show InChI InChI=1S/C23H29F3N8/c1-14(2)20-19(21(32-31-20)23(24,25)26)17-7-10-27-22(29-17)30-18-6-5-16(13-28-18)34-11-8-15(9-12-34)33(3)4/h5-7,10,13-15H,8-9,11-12H2,1-4H3,(H,31,32)(H,27,28,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of MAPK2


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
BindingDB Entry DOI: 10.7270/Q2T72HQV
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 5


(Homo sapiens (Human))
BDBM50330262
PNG
(CHEMBL1272171 | N*6'*-[4-(5-Isopropyl-3-trifluorom...)
Show SMILES CC(C)c1[nH]nc(c1-c1ccnc(Nc2ccc(cn2)N2CCC(CC2)N(C)C)n1)C(F)(F)F
Show InChI InChI=1S/C23H29F3N8/c1-14(2)20-19(21(32-31-20)23(24,25)26)17-7-10-27-22(29-17)30-18-6-5-16(13-28-18)34-11-8-15(9-12-34)33(3)4/h5-7,10,13-15H,8-9,11-12H2,1-4H3,(H,31,32)(H,27,28,29,30)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of MAPK5


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
BindingDB Entry DOI: 10.7270/Q2T72HQV
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))
BDBM50330262
PNG
(CHEMBL1272171 | N*6'*-[4-(5-Isopropyl-3-trifluorom...)
Show SMILES CC(C)c1[nH]nc(c1-c1ccnc(Nc2ccc(cn2)N2CCC(CC2)N(C)C)n1)C(F)(F)F
Show InChI InChI=1S/C23H29F3N8/c1-14(2)20-19(21(32-31-20)23(24,25)26)17-7-10-27-22(29-17)30-18-6-5-16(13-28-18)34-11-8-15(9-12-34)33(3)4/h5-7,10,13-15H,8-9,11-12H2,1-4H3,(H,31,32)(H,27,28,29,30)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PDGFRalpha


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
BindingDB Entry DOI: 10.7270/Q2T72HQV
More data for this
Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial


(Homo sapiens (Human))
BDBM50330262
PNG
(CHEMBL1272171 | N*6'*-[4-(5-Isopropyl-3-trifluorom...)
Show SMILES CC(C)c1[nH]nc(c1-c1ccnc(Nc2ccc(cn2)N2CCC(CC2)N(C)C)n1)C(F)(F)F
Show InChI InChI=1S/C23H29F3N8/c1-14(2)20-19(21(32-31-20)23(24,25)26)17-7-10-27-22(29-17)30-18-6-5-16(13-28-18)34-11-8-15(9-12-34)33(3)4/h5-7,10,13-15H,8-9,11-12H2,1-4H3,(H,31,32)(H,27,28,29,30)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PDK1


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
BindingDB Entry DOI: 10.7270/Q2T72HQV
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50330262
PNG
(CHEMBL1272171 | N*6'*-[4-(5-Isopropyl-3-trifluorom...)
Show SMILES CC(C)c1[nH]nc(c1-c1ccnc(Nc2ccc(cn2)N2CCC(CC2)N(C)C)n1)C(F)(F)F
Show InChI InChI=1S/C23H29F3N8/c1-14(2)20-19(21(32-31-20)23(24,25)26)17-7-10-27-22(29-17)30-18-6-5-16(13-28-18)34-11-8-15(9-12-34)33(3)4/h5-7,10,13-15H,8-9,11-12H2,1-4H3,(H,31,32)(H,27,28,29,30)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PKBalpha


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
BindingDB Entry DOI: 10.7270/Q2T72HQV
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50330262
PNG
(CHEMBL1272171 | N*6'*-[4-(5-Isopropyl-3-trifluorom...)
Show SMILES CC(C)c1[nH]nc(c1-c1ccnc(Nc2ccc(cn2)N2CCC(CC2)N(C)C)n1)C(F)(F)F
Show InChI InChI=1S/C23H29F3N8/c1-14(2)20-19(21(32-31-20)23(24,25)26)17-7-10-27-22(29-17)30-18-6-5-16(13-28-18)34-11-8-15(9-12-34)33(3)4/h5-7,10,13-15H,8-9,11-12H2,1-4H3,(H,31,32)(H,27,28,29,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of c-MET


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
BindingDB Entry DOI: 10.7270/Q2T72HQV
More data for this
Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1


(Homo sapiens (Human))
BDBM50330262
PNG
(CHEMBL1272171 | N*6'*-[4-(5-Isopropyl-3-trifluorom...)
Show SMILES CC(C)c1[nH]nc(c1-c1ccnc(Nc2ccc(cn2)N2CCC(CC2)N(C)C)n1)C(F)(F)F
Show InChI InChI=1S/C23H29F3N8/c1-14(2)20-19(21(32-31-20)23(24,25)26)17-7-10-27-22(29-17)30-18-6-5-16(13-28-18)34-11-8-15(9-12-34)33(3)4/h5-7,10,13-15H,8-9,11-12H2,1-4H3,(H,31,32)(H,27,28,29,30)
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.50E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK1/cyclin B after 2 hrs by IMAP-FP assay


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
BindingDB Entry DOI: 10.7270/Q2T72HQV
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50330262
PNG
(CHEMBL1272171 | N*6'*-[4-(5-Isopropyl-3-trifluorom...)
Show SMILES CC(C)c1[nH]nc(c1-c1ccnc(Nc2ccc(cn2)N2CCC(CC2)N(C)C)n1)C(F)(F)F
Show InChI InChI=1S/C23H29F3N8/c1-14(2)20-19(21(32-31-20)23(24,25)26)17-7-10-27-22(29-17)30-18-6-5-16(13-28-18)34-11-8-15(9-12-34)33(3)4/h5-7,10,13-15H,8-9,11-12H2,1-4H3,(H,31,32)(H,27,28,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 468n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of CDK4 in human Jeko1 cells assessed as phosphorylated pRb at Ser780 level after 2 hrs by ELISA


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
BindingDB Entry DOI: 10.7270/Q2T72HQV
More data for this
Ligand-Target Pair