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BDBM181052 5F4

SMILES: CSc1nc2ccc3nc(NC(=O)c4ccc(cc4)S(=O)(=O)N4CCOCC4)sc3c2s1

InChI Key: InChIKey=HFYNRAVQEUKOFF-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 181052   
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
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM181052
PNG
(5F4)
Show SMILES CSc1nc2ccc3nc(NC(=O)c4ccc(cc4)S(=O)(=O)N4CCOCC4)sc3c2s1
Show InChI InChI=1S/C20H18N4O4S4/c1-29-20-22-15-7-6-14-16(17(15)31-20)30-19(21-14)23-18(25)12-2-4-13(5-3-12)32(26,27)24-8-10-28-11-9-24/h2-7H,8-11H2,1H3,(H,21,23,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 273n/an/an/an/an/an/a



University College London



Assay Description
For kinase inhibition assays, the final concentrations of the enzymes were 15, 14.5, 14.5, and 8.8 nM for CLK1, CLK2, CLK3, and Dyrk1A (Invitrogen, c...


Biochemistry 55: 608-17 (2016)


Article DOI: 10.1021/acs.biochem.5b01128
BindingDB Entry DOI: 10.7270/Q2N58K5J
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM181052
PNG
(5F4)
Show SMILES CSc1nc2ccc3nc(NC(=O)c4ccc(cc4)S(=O)(=O)N4CCOCC4)sc3c2s1
Show InChI InChI=1S/C20H18N4O4S4/c1-29-20-22-15-7-6-14-16(17(15)31-20)30-19(21-14)23-18(25)12-2-4-13(5-3-12)32(26,27)24-8-10-28-11-9-24/h2-7H,8-11H2,1H3,(H,21,23,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 213n/an/an/an/an/an/a



University College London



Assay Description
For kinase inhibition assays, the final concentrations of the enzymes were 15, 14.5, 14.5, and 8.8 nM for CLK1, CLK2, CLK3, and Dyrk1A (Invitrogen, c...


Biochemistry 55: 608-17 (2016)


Article DOI: 10.1021/acs.biochem.5b01128
BindingDB Entry DOI: 10.7270/Q2N58K5J
More data for this
Ligand-Target Pair
CDC2-like kinase 3 (CLK3)


(Homo sapiens (Human))
BDBM181052
PNG
(5F4)
Show SMILES CSc1nc2ccc3nc(NC(=O)c4ccc(cc4)S(=O)(=O)N4CCOCC4)sc3c2s1
Show InChI InChI=1S/C20H18N4O4S4/c1-29-20-22-15-7-6-14-16(17(15)31-20)30-19(21-14)23-18(25)12-2-4-13(5-3-12)32(26,27)24-8-10-28-11-9-24/h2-7H,8-11H2,1H3,(H,21,23,25)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a>3.00E+3n/an/an/an/an/an/a



University College London



Assay Description
For kinase inhibition assays, the final concentrations of the enzymes were 15, 14.5, 14.5, and 8.8 nM for CLK1, CLK2, CLK3, and Dyrk1A (Invitrogen, c...


Biochemistry 55: 608-17 (2016)


Article DOI: 10.1021/acs.biochem.5b01128
BindingDB Entry DOI: 10.7270/Q2N58K5J
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2


(Homo sapiens (Human))
BDBM181052
PNG
(5F4)
Show SMILES CSc1nc2ccc3nc(NC(=O)c4ccc(cc4)S(=O)(=O)N4CCOCC4)sc3c2s1
Show InChI InChI=1S/C20H18N4O4S4/c1-29-20-22-15-7-6-14-16(17(15)31-20)30-19(21-14)23-18(25)12-2-4-13(5-3-12)32(26,27)24-8-10-28-11-9-24/h2-7H,8-11H2,1H3,(H,21,23,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 127n/an/an/an/an/an/a



University College London



Assay Description
For kinase inhibition assays, the final concentrations of the enzymes were 15, 14.5, 14.5, and 8.8 nM for CLK1, CLK2, CLK3, and Dyrk1A (Invitrogen, c...


Biochemistry 55: 608-17 (2016)


Article DOI: 10.1021/acs.biochem.5b01128
BindingDB Entry DOI: 10.7270/Q2N58K5J
More data for this
Ligand-Target Pair