BindingDB logo
myBDB logout

PubMed code 23352510

Compile data set for download or QSAR
Found 37 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50440019
PNG
(CHEMBL2425654)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-n1nnc2ccccc12 |r,wU:4.7,wD:1.0,(2.77,-16.29,;4.12,-17.05,;4.13,-18.6,;5.48,-19.36,;6.8,-18.58,;6.79,-17.04,;5.47,-16.28,;8.15,-19.35,;9.49,-18.57,;9.49,-17.03,;10.83,-16.26,;12.15,-17.02,;12.16,-18.57,;10.83,-19.34,;13.49,-19.34,;14.91,-18.78,;15.89,-19.97,;15.06,-21.27,;15.46,-22.75,;14.39,-23.83,;12.88,-23.42,;12.49,-21.97,;13.58,-20.87,)|
Show InChI InChI=1S/C16H18N6O/c23-12-7-5-11(6-8-12)18-16-17-10-9-15(19-16)22-14-4-2-1-3-13(14)20-21-22/h1-4,9-12,23H,5-8H2,(H,17,18,19)/t11-,12-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.80n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


Bioorg Med Chem Lett 23: 1486-92 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.047
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50440017
PNG
(CHEMBL2425651)
Show SMILES CC(=O)N[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-n1nnc2ccccc12 |r,wU:7.10,wD:4.3,(22.14,-19.72,;22.13,-18.18,;20.79,-17.42,;23.46,-17.4,;24.81,-18.17,;24.83,-19.72,;26.17,-20.47,;27.5,-19.7,;27.49,-18.16,;26.16,-17.39,;28.85,-20.47,;30.19,-19.68,;30.19,-18.14,;31.53,-17.37,;32.86,-18.13,;32.86,-19.68,;31.53,-20.45,;34.2,-20.45,;35.62,-19.9,;36.6,-21.09,;35.77,-22.38,;36.17,-23.87,;35.1,-24.95,;33.59,-24.54,;33.19,-23.09,;34.28,-21.99,)|
Show InChI InChI=1S/C18H21N7O/c1-12(26)20-13-6-8-14(9-7-13)21-18-19-11-10-17(22-18)25-16-5-3-2-4-15(16)23-24-25/h2-5,10-11,13-14H,6-9H2,1H3,(H,20,26)(H,19,21,22)/t13-,14-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 39n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


Bioorg Med Chem Lett 23: 1486-92 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.047
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50440020
PNG
(CHEMBL2425655)
Show SMILES CS(=O)(=O)N[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-n1nnc2ccccc12 |r,wU:8.11,wD:5.4,(4.67,-9.66,;3.88,-8.32,;3.09,-6.98,;2.54,-9.1,;5.22,-7.53,;6.57,-8.3,;6.58,-9.85,;7.92,-10.61,;9.25,-9.83,;9.24,-8.29,;7.92,-7.53,;10.6,-10.6,;11.94,-9.82,;11.94,-8.28,;13.27,-7.51,;14.6,-8.27,;14.6,-9.82,;13.28,-10.59,;15.94,-10.58,;17.36,-10.03,;18.33,-11.22,;17.5,-12.52,;17.91,-14,;16.83,-15.08,;15.33,-14.67,;14.94,-13.22,;16.02,-12.12,)|
Show InChI InChI=1S/C17H21N7O2S/c1-27(25,26)22-13-8-6-12(7-9-13)19-17-18-11-10-16(20-17)24-15-5-3-2-4-14(15)21-23-24/h2-5,10-13,22H,6-9H2,1H3,(H,18,19,20)/t12-,13-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.52E+3n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Inhibition of human recombinant human CDK1/GST-tagged cyclin B expressed in baculovirus infected insect cells assessed as inhibition of 6XHis-tagged ...


Bioorg Med Chem Lett 23: 1486-92 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.047
More data for this
Ligand-Target Pair
CaM kinase I gamma


(Homo sapiens (Human))
BDBM50440018
PNG
(CHEMBL2425628)
Show SMILES CS(=O)(=O)CCCOc1cccc2n(ccc12)-c1ccnc(N[C@H]2CC[C@@H](CC2)C(=O)N2CCC(O)CC2)n1 |r,wU:23.24,wD:26.31,(28.71,-17.43,;28.01,-18.78,;27.59,-20.26,;29.41,-19.4,;26.53,-18.36,;26.13,-16.88,;24.65,-16.47,;24.27,-14.99,;22.78,-14.58,;21.71,-15.67,;20.2,-15.25,;19.81,-13.8,;20.9,-12.71,;20.81,-11.17,;22.23,-10.62,;23.2,-11.81,;22.38,-13.1,;19.48,-10.41,;19.47,-8.86,;18.15,-8.1,;16.81,-8.87,;16.81,-10.41,;15.47,-11.19,;14.13,-10.42,;12.8,-11.2,;11.46,-10.44,;11.44,-8.89,;12.79,-8.11,;14.12,-8.88,;10.09,-8.13,;10.08,-6.58,;8.76,-8.89,;7.43,-8.12,;6.1,-8.9,;6.1,-10.44,;4.77,-11.21,;7.43,-11.21,;8.76,-10.44,;18.15,-11.18,)|
Show InChI InChI=1S/C28H37N5O5S/c1-39(36,37)19-3-18-38-25-5-2-4-24-23(25)13-17-33(24)26-10-14-29-28(31-26)30-21-8-6-20(7-9-21)27(35)32-15-11-22(34)12-16-32/h2,4-5,10,13-14,17,20-22,34H,3,6-9,11-12,15-16,18-19H2,1H3,(H,29,30,31)/t20-,21-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 4.20E+3n/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Binding affinity to CAMK1G (unknown origin)


Bioorg Med Chem Lett 23: 1486-92 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.047
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 1


(Homo sapiens (Human))
BDBM50440018
PNG
(CHEMBL2425628)
Show SMILES CS(=O)(=O)CCCOc1cccc2n(ccc12)-c1ccnc(N[C@H]2CC[C@@H](CC2)C(=O)N2CCC(O)CC2)n1 |r,wU:23.24,wD:26.31,(28.71,-17.43,;28.01,-18.78,;27.59,-20.26,;29.41,-19.4,;26.53,-18.36,;26.13,-16.88,;24.65,-16.47,;24.27,-14.99,;22.78,-14.58,;21.71,-15.67,;20.2,-15.25,;19.81,-13.8,;20.9,-12.71,;20.81,-11.17,;22.23,-10.62,;23.2,-11.81,;22.38,-13.1,;19.48,-10.41,;19.47,-8.86,;18.15,-8.1,;16.81,-8.87,;16.81,-10.41,;15.47,-11.19,;14.13,-10.42,;12.8,-11.2,;11.46,-10.44,;11.44,-8.89,;12.79,-8.11,;14.12,-8.88,;10.09,-8.13,;10.08,-6.58,;8.76,-8.89,;7.43,-8.12,;6.1,-8.9,;6.1,-10.44,;4.77,-11.21,;7.43,-11.21,;8.76,-10.44,;18.15,-11.18,)|
Show InChI InChI=1S/C28H37N5O5S/c1-39(36,37)19-3-18-38-25-5-2-4-24-23(25)13-17-33(24)26-10-14-29-28(31-26)30-21-8-6-20(7-9-21)27(35)32-15-11-22(34)12-16-32/h2,4-5,10,13-14,17,20-22,34H,3,6-9,11-12,15-16,18-19H2,1H3,(H,29,30,31)/t20-,21-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 2.10E+3n/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Binding affinity to RPS6KA1 (unknown origin)


Bioorg Med Chem Lett 23: 1486-92 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.047
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek1


(Homo sapiens (Human))
BDBM50440018
PNG
(CHEMBL2425628)
Show SMILES CS(=O)(=O)CCCOc1cccc2n(ccc12)-c1ccnc(N[C@H]2CC[C@@H](CC2)C(=O)N2CCC(O)CC2)n1 |r,wU:23.24,wD:26.31,(28.71,-17.43,;28.01,-18.78,;27.59,-20.26,;29.41,-19.4,;26.53,-18.36,;26.13,-16.88,;24.65,-16.47,;24.27,-14.99,;22.78,-14.58,;21.71,-15.67,;20.2,-15.25,;19.81,-13.8,;20.9,-12.71,;20.81,-11.17,;22.23,-10.62,;23.2,-11.81,;22.38,-13.1,;19.48,-10.41,;19.47,-8.86,;18.15,-8.1,;16.81,-8.87,;16.81,-10.41,;15.47,-11.19,;14.13,-10.42,;12.8,-11.2,;11.46,-10.44,;11.44,-8.89,;12.79,-8.11,;14.12,-8.88,;10.09,-8.13,;10.08,-6.58,;8.76,-8.89,;7.43,-8.12,;6.1,-8.9,;6.1,-10.44,;4.77,-11.21,;7.43,-11.21,;8.76,-10.44,;18.15,-11.18,)|
Show InChI InChI=1S/C28H37N5O5S/c1-39(36,37)19-3-18-38-25-5-2-4-24-23(25)13-17-33(24)26-10-14-29-28(31-26)30-21-8-6-20(7-9-21)27(35)32-15-11-22(34)12-16-32/h2,4-5,10,13-14,17,20-22,34H,3,6-9,11-12,15-16,18-19H2,1H3,(H,29,30,31)/t20-,21-
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 4.00E+3n/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Binding affinity to NEK1 (unknown origin)


Bioorg Med Chem Lett 23: 1486-92 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.047
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50440018
PNG
(CHEMBL2425628)
Show SMILES CS(=O)(=O)CCCOc1cccc2n(ccc12)-c1ccnc(N[C@H]2CC[C@@H](CC2)C(=O)N2CCC(O)CC2)n1 |r,wU:23.24,wD:26.31,(28.71,-17.43,;28.01,-18.78,;27.59,-20.26,;29.41,-19.4,;26.53,-18.36,;26.13,-16.88,;24.65,-16.47,;24.27,-14.99,;22.78,-14.58,;21.71,-15.67,;20.2,-15.25,;19.81,-13.8,;20.9,-12.71,;20.81,-11.17,;22.23,-10.62,;23.2,-11.81,;22.38,-13.1,;19.48,-10.41,;19.47,-8.86,;18.15,-8.1,;16.81,-8.87,;16.81,-10.41,;15.47,-11.19,;14.13,-10.42,;12.8,-11.2,;11.46,-10.44,;11.44,-8.89,;12.79,-8.11,;14.12,-8.88,;10.09,-8.13,;10.08,-6.58,;8.76,-8.89,;7.43,-8.12,;6.1,-8.9,;6.1,-10.44,;4.77,-11.21,;7.43,-11.21,;8.76,-10.44,;18.15,-11.18,)|
Show InChI InChI=1S/C28H37N5O5S/c1-39(36,37)19-3-18-38-25-5-2-4-24-23(25)13-17-33(24)26-10-14-29-28(31-26)30-21-8-6-20(7-9-21)27(35)32-15-11-22(34)12-16-32/h2,4-5,10,13-14,17,20-22,34H,3,6-9,11-12,15-16,18-19H2,1H3,(H,29,30,31)/t20-,21-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 2.10E+3n/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Binding affinity to MKNK1 (unknown origin)


Bioorg Med Chem Lett 23: 1486-92 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.047
More data for this
Ligand-Target Pair
Extracellular signal-regulated kinase 5 (ERK5)


(Homo sapiens (Human))
BDBM50440018
PNG
(CHEMBL2425628)
Show SMILES CS(=O)(=O)CCCOc1cccc2n(ccc12)-c1ccnc(N[C@H]2CC[C@@H](CC2)C(=O)N2CCC(O)CC2)n1 |r,wU:23.24,wD:26.31,(28.71,-17.43,;28.01,-18.78,;27.59,-20.26,;29.41,-19.4,;26.53,-18.36,;26.13,-16.88,;24.65,-16.47,;24.27,-14.99,;22.78,-14.58,;21.71,-15.67,;20.2,-15.25,;19.81,-13.8,;20.9,-12.71,;20.81,-11.17,;22.23,-10.62,;23.2,-11.81,;22.38,-13.1,;19.48,-10.41,;19.47,-8.86,;18.15,-8.1,;16.81,-8.87,;16.81,-10.41,;15.47,-11.19,;14.13,-10.42,;12.8,-11.2,;11.46,-10.44,;11.44,-8.89,;12.79,-8.11,;14.12,-8.88,;10.09,-8.13,;10.08,-6.58,;8.76,-8.89,;7.43,-8.12,;6.1,-8.9,;6.1,-10.44,;4.77,-11.21,;7.43,-11.21,;8.76,-10.44,;18.15,-11.18,)|
Show InChI InChI=1S/C28H37N5O5S/c1-39(36,37)19-3-18-38-25-5-2-4-24-23(25)13-17-33(24)26-10-14-29-28(31-26)30-21-8-6-20(7-9-21)27(35)32-15-11-22(34)12-16-32/h2,4-5,10,13-14,17,20-22,34H,3,6-9,11-12,15-16,18-19H2,1H3,(H,29,30,31)/t20-,21-
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 1.50E+3n/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Binding affinity to ERK5 (unknown origin)


Bioorg Med Chem Lett 23: 1486-92 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.047
More data for this
Ligand-Target Pair
PITSLRE serine/threonine-protein kinase CDC2L1


(Homo sapiens (Human))
BDBM50440018
PNG
(CHEMBL2425628)
Show SMILES CS(=O)(=O)CCCOc1cccc2n(ccc12)-c1ccnc(N[C@H]2CC[C@@H](CC2)C(=O)N2CCC(O)CC2)n1 |r,wU:23.24,wD:26.31,(28.71,-17.43,;28.01,-18.78,;27.59,-20.26,;29.41,-19.4,;26.53,-18.36,;26.13,-16.88,;24.65,-16.47,;24.27,-14.99,;22.78,-14.58,;21.71,-15.67,;20.2,-15.25,;19.81,-13.8,;20.9,-12.71,;20.81,-11.17,;22.23,-10.62,;23.2,-11.81,;22.38,-13.1,;19.48,-10.41,;19.47,-8.86,;18.15,-8.1,;16.81,-8.87,;16.81,-10.41,;15.47,-11.19,;14.13,-10.42,;12.8,-11.2,;11.46,-10.44,;11.44,-8.89,;12.79,-8.11,;14.12,-8.88,;10.09,-8.13,;10.08,-6.58,;8.76,-8.89,;7.43,-8.12,;6.1,-8.9,;6.1,-10.44,;4.77,-11.21,;7.43,-11.21,;8.76,-10.44,;18.15,-11.18,)|
Show InChI InChI=1S/C28H37N5O5S/c1-39(36,37)19-3-18-38-25-5-2-4-24-23(25)13-17-33(24)26-10-14-29-28(31-26)30-21-8-6-20(7-9-21)27(35)32-15-11-22(34)12-16-32/h2,4-5,10,13-14,17,20-22,34H,3,6-9,11-12,15-16,18-19H2,1H3,(H,29,30,31)/t20-,21-
Reactome pathway
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 1.30E+3n/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Binding affinity to CDC2L1 (unknown origin)


Bioorg Med Chem Lett 23: 1486-92 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.047
More data for this
Ligand-Target Pair
Interferon-induced, double-stranded RNA-activated protein kinase


(Homo sapiens (Human))
BDBM50440018
PNG
(CHEMBL2425628)
Show SMILES CS(=O)(=O)CCCOc1cccc2n(ccc12)-c1ccnc(N[C@H]2CC[C@@H](CC2)C(=O)N2CCC(O)CC2)n1 |r,wU:23.24,wD:26.31,(28.71,-17.43,;28.01,-18.78,;27.59,-20.26,;29.41,-19.4,;26.53,-18.36,;26.13,-16.88,;24.65,-16.47,;24.27,-14.99,;22.78,-14.58,;21.71,-15.67,;20.2,-15.25,;19.81,-13.8,;20.9,-12.71,;20.81,-11.17,;22.23,-10.62,;23.2,-11.81,;22.38,-13.1,;19.48,-10.41,;19.47,-8.86,;18.15,-8.1,;16.81,-8.87,;16.81,-10.41,;15.47,-11.19,;14.13,-10.42,;12.8,-11.2,;11.46,-10.44,;11.44,-8.89,;12.79,-8.11,;14.12,-8.88,;10.09,-8.13,;10.08,-6.58,;8.76,-8.89,;7.43,-8.12,;6.1,-8.9,;6.1,-10.44,;4.77,-11.21,;7.43,-11.21,;8.76,-10.44,;18.15,-11.18,)|
Show InChI InChI=1S/C28H37N5O5S/c1-39(36,37)19-3-18-38-25-5-2-4-24-23(25)13-17-33(24)26-10-14-29-28(31-26)30-21-8-6-20(7-9-21)27(35)32-15-11-22(34)12-16-32/h2,4-5,10,13-14,17,20-22,34H,3,6-9,11-12,15-16,18-19H2,1H3,(H,29,30,31)/t20-,21-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 120n/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Binding affinity to PRKR (unknown origin)


Bioorg Med Chem Lett 23: 1486-92 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.047
More data for this
Ligand-Target Pair
LIM domain kinase 1


(Homo sapiens (Human))
BDBM50440018
PNG
(CHEMBL2425628)
Show SMILES CS(=O)(=O)CCCOc1cccc2n(ccc12)-c1ccnc(N[C@H]2CC[C@@H](CC2)C(=O)N2CCC(O)CC2)n1 |r,wU:23.24,wD:26.31,(28.71,-17.43,;28.01,-18.78,;27.59,-20.26,;29.41,-19.4,;26.53,-18.36,;26.13,-16.88,;24.65,-16.47,;24.27,-14.99,;22.78,-14.58,;21.71,-15.67,;20.2,-15.25,;19.81,-13.8,;20.9,-12.71,;20.81,-11.17,;22.23,-10.62,;23.2,-11.81,;22.38,-13.1,;19.48,-10.41,;19.47,-8.86,;18.15,-8.1,;16.81,-8.87,;16.81,-10.41,;15.47,-11.19,;14.13,-10.42,;12.8,-11.2,;11.46,-10.44,;11.44,-8.89,;12.79,-8.11,;14.12,-8.88,;10.09,-8.13,;10.08,-6.58,;8.76,-8.89,;7.43,-8.12,;6.1,-8.9,;6.1,-10.44,;4.77,-11.21,;7.43,-11.21,;8.76,-10.44,;18.15,-11.18,)|
Show InChI InChI=1S/C28H37N5O5S/c1-39(36,37)19-3-18-38-25-5-2-4-24-23(25)13-17-33(24)26-10-14-29-28(31-26)30-21-8-6-20(7-9-21)27(35)32-15-11-22(34)12-16-32/h2,4-5,10,13-14,17,20-22,34H,3,6-9,11-12,15-16,18-19H2,1H3,(H,29,30,31)/t20-,21-
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 870n/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Binding affinity to LIMK1 (unknown origin)


Bioorg Med Chem Lett 23: 1486-92 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.047
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek5


(Homo sapiens (Human))
BDBM50440018
PNG
(CHEMBL2425628)
Show SMILES CS(=O)(=O)CCCOc1cccc2n(ccc12)-c1ccnc(N[C@H]2CC[C@@H](CC2)C(=O)N2CCC(O)CC2)n1 |r,wU:23.24,wD:26.31,(28.71,-17.43,;28.01,-18.78,;27.59,-20.26,;29.41,-19.4,;26.53,-18.36,;26.13,-16.88,;24.65,-16.47,;24.27,-14.99,;22.78,-14.58,;21.71,-15.67,;20.2,-15.25,;19.81,-13.8,;20.9,-12.71,;20.81,-11.17,;22.23,-10.62,;23.2,-11.81,;22.38,-13.1,;19.48,-10.41,;19.47,-8.86,;18.15,-8.1,;16.81,-8.87,;16.81,-10.41,;15.47,-11.19,;14.13,-10.42,;12.8,-11.2,;11.46,-10.44,;11.44,-8.89,;12.79,-8.11,;14.12,-8.88,;10.09,-8.13,;10.08,-6.58,;8.76,-8.89,;7.43,-8.12,;6.1,-8.9,;6.1,-10.44,;4.77,-11.21,;7.43,-11.21,;8.76,-10.44,;18.15,-11.18,)|
Show InChI InChI=1S/C28H37N5O5S/c1-39(36,37)19-3-18-38-25-5-2-4-24-23(25)13-17-33(24)26-10-14-29-28(31-26)30-21-8-6-20(7-9-21)27(35)32-15-11-22(34)12-16-32/h2,4-5,10,13-14,17,20-22,34H,3,6-9,11-12,15-16,18-19H2,1H3,(H,29,30,31)/t20-,21-
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 1.40E+3n/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Binding affinity to NEK5 (unknown origin)


Bioorg Med Chem Lett 23: 1486-92 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.047
More data for this
Ligand-Target Pair
Death-associated protein kinase 3


(Homo sapiens (Human))
BDBM50440018
PNG
(CHEMBL2425628)
Show SMILES CS(=O)(=O)CCCOc1cccc2n(ccc12)-c1ccnc(N[C@H]2CC[C@@H](CC2)C(=O)N2CCC(O)CC2)n1 |r,wU:23.24,wD:26.31,(28.71,-17.43,;28.01,-18.78,;27.59,-20.26,;29.41,-19.4,;26.53,-18.36,;26.13,-16.88,;24.65,-16.47,;24.27,-14.99,;22.78,-14.58,;21.71,-15.67,;20.2,-15.25,;19.81,-13.8,;20.9,-12.71,;20.81,-11.17,;22.23,-10.62,;23.2,-11.81,;22.38,-13.1,;19.48,-10.41,;19.47,-8.86,;18.15,-8.1,;16.81,-8.87,;16.81,-10.41,;15.47,-11.19,;14.13,-10.42,;12.8,-11.2,;11.46,-10.44,;11.44,-8.89,;12.79,-8.11,;14.12,-8.88,;10.09,-8.13,;10.08,-6.58,;8.76,-8.89,;7.43,-8.12,;6.1,-8.9,;6.1,-10.44,;4.77,-11.21,;7.43,-11.21,;8.76,-10.44,;18.15,-11.18,)|
Show InChI InChI=1S/C28H37N5O5S/c1-39(36,37)19-3-18-38-25-5-2-4-24-23(25)13-17-33(24)26-10-14-29-28(31-26)30-21-8-6-20(7-9-21)27(35)32-15-11-22(34)12-16-32/h2,4-5,10,13-14,17,20-22,34H,3,6-9,11-12,15-16,18-19H2,1H3,(H,29,30,31)/t20-,21-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 880n/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Binding affinity to DAPK3 (unknown origin)


Bioorg Med Chem Lett 23: 1486-92 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.047
More data for this
Ligand-Target Pair
Death-associated protein kinase 1


(Homo sapiens (Human))
BDBM50440018
PNG
(CHEMBL2425628)
Show SMILES CS(=O)(=O)CCCOc1cccc2n(ccc12)-c1ccnc(N[C@H]2CC[C@@H](CC2)C(=O)N2CCC(O)CC2)n1 |r,wU:23.24,wD:26.31,(28.71,-17.43,;28.01,-18.78,;27.59,-20.26,;29.41,-19.4,;26.53,-18.36,;26.13,-16.88,;24.65,-16.47,;24.27,-14.99,;22.78,-14.58,;21.71,-15.67,;20.2,-15.25,;19.81,-13.8,;20.9,-12.71,;20.81,-11.17,;22.23,-10.62,;23.2,-11.81,;22.38,-13.1,;19.48,-10.41,;19.47,-8.86,;18.15,-8.1,;16.81,-8.87,;16.81,-10.41,;15.47,-11.19,;14.13,-10.42,;12.8,-11.2,;11.46,-10.44,;11.44,-8.89,;12.79,-8.11,;14.12,-8.88,;10.09,-8.13,;10.08,-6.58,;8.76,-8.89,;7.43,-8.12,;6.1,-8.9,;6.1,-10.44,;4.77,-11.21,;7.43,-11.21,;8.76,-10.44,;18.15,-11.18,)|
Show InChI InChI=1S/C28H37N5O5S/c1-39(36,37)19-3-18-38-25-5-2-4-24-23(25)13-17-33(24)26-10-14-29-28(31-26)30-21-8-6-20(7-9-21)27(35)32-15-11-22(34)12-16-32/h2,4-5,10,13-14,17,20-22,34H,3,6-9,11-12,15-16,18-19H2,1H3,(H,29,30,31)/t20-,21-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 380n/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Binding affinity to DAPK1 (unknown origin)


Bioorg Med Chem Lett 23: 1486-92 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.047
More data for this
Ligand-Target Pair
Uncharacterized aarF domain-containing protein kinase 4


(Homo sapiens (Human))
BDBM50440018
PNG
(CHEMBL2425628)
Show SMILES CS(=O)(=O)CCCOc1cccc2n(ccc12)-c1ccnc(N[C@H]2CC[C@@H](CC2)C(=O)N2CCC(O)CC2)n1 |r,wU:23.24,wD:26.31,(28.71,-17.43,;28.01,-18.78,;27.59,-20.26,;29.41,-19.4,;26.53,-18.36,;26.13,-16.88,;24.65,-16.47,;24.27,-14.99,;22.78,-14.58,;21.71,-15.67,;20.2,-15.25,;19.81,-13.8,;20.9,-12.71,;20.81,-11.17,;22.23,-10.62,;23.2,-11.81,;22.38,-13.1,;19.48,-10.41,;19.47,-8.86,;18.15,-8.1,;16.81,-8.87,;16.81,-10.41,;15.47,-11.19,;14.13,-10.42,;12.8,-11.2,;11.46,-10.44,;11.44,-8.89,;12.79,-8.11,;14.12,-8.88,;10.09,-8.13,;10.08,-6.58,;8.76,-8.89,;7.43,-8.12,;6.1,-8.9,;6.1,-10.44,;4.77,-11.21,;7.43,-11.21,;8.76,-10.44,;18.15,-11.18,)|
Show InChI InChI=1S/C28H37N5O5S/c1-39(36,37)19-3-18-38-25-5-2-4-24-23(25)13-17-33(24)26-10-14-29-28(31-26)30-21-8-6-20(7-9-21)27(35)32-15-11-22(34)12-16-32/h2,4-5,10,13-14,17,20-22,34H,3,6-9,11-12,15-16,18-19H2,1H3,(H,29,30,31)/t20-,21-
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 4.80E+3n/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Binding affinity to ADCK4 (unknown origin)


Bioorg Med Chem Lett 23: 1486-92 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.047
More data for this
Ligand-Target Pair
Tyrosine-protein kinase STK16 (STK16)


(Homo sapiens (Human))
BDBM50440018
PNG
(CHEMBL2425628)
Show SMILES CS(=O)(=O)CCCOc1cccc2n(ccc12)-c1ccnc(N[C@H]2CC[C@@H](CC2)C(=O)N2CCC(O)CC2)n1 |r,wU:23.24,wD:26.31,(28.71,-17.43,;28.01,-18.78,;27.59,-20.26,;29.41,-19.4,;26.53,-18.36,;26.13,-16.88,;24.65,-16.47,;24.27,-14.99,;22.78,-14.58,;21.71,-15.67,;20.2,-15.25,;19.81,-13.8,;20.9,-12.71,;20.81,-11.17,;22.23,-10.62,;23.2,-11.81,;22.38,-13.1,;19.48,-10.41,;19.47,-8.86,;18.15,-8.1,;16.81,-8.87,;16.81,-10.41,;15.47,-11.19,;14.13,-10.42,;12.8,-11.2,;11.46,-10.44,;11.44,-8.89,;12.79,-8.11,;14.12,-8.88,;10.09,-8.13,;10.08,-6.58,;8.76,-8.89,;7.43,-8.12,;6.1,-8.9,;6.1,-10.44,;4.77,-11.21,;7.43,-11.21,;8.76,-10.44,;18.15,-11.18,)|
Show InChI InChI=1S/C28H37N5O5S/c1-39(36,37)19-3-18-38-25-5-2-4-24-23(25)13-17-33(24)26-10-14-29-28(31-26)30-21-8-6-20(7-9-21)27(35)32-15-11-22(34)12-16-32/h2,4-5,10,13-14,17,20-22,34H,3,6-9,11-12,15-16,18-19H2,1H3,(H,29,30,31)/t20-,21-
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 450n/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Binding affinity to STK16 (unknown origin)


Bioorg Med Chem Lett 23: 1486-92 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.047
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 4


(Homo sapiens (Human))
BDBM50440018
PNG
(CHEMBL2425628)
Show SMILES CS(=O)(=O)CCCOc1cccc2n(ccc12)-c1ccnc(N[C@H]2CC[C@@H](CC2)C(=O)N2CCC(O)CC2)n1 |r,wU:23.24,wD:26.31,(28.71,-17.43,;28.01,-18.78,;27.59,-20.26,;29.41,-19.4,;26.53,-18.36,;26.13,-16.88,;24.65,-16.47,;24.27,-14.99,;22.78,-14.58,;21.71,-15.67,;20.2,-15.25,;19.81,-13.8,;20.9,-12.71,;20.81,-11.17,;22.23,-10.62,;23.2,-11.81,;22.38,-13.1,;19.48,-10.41,;19.47,-8.86,;18.15,-8.1,;16.81,-8.87,;16.81,-10.41,;15.47,-11.19,;14.13,-10.42,;12.8,-11.2,;11.46,-10.44,;11.44,-8.89,;12.79,-8.11,;14.12,-8.88,;10.09,-8.13,;10.08,-6.58,;8.76,-8.89,;7.43,-8.12,;6.1,-8.9,;6.1,-10.44,;4.77,-11.21,;7.43,-11.21,;8.76,-10.44,;18.15,-11.18,)|
Show InChI InChI=1S/C28H37N5O5S/c1-39(36,37)19-3-18-38-25-5-2-4-24-23(25)13-17-33(24)26-10-14-29-28(31-26)30-21-8-6-20(7-9-21)27(35)32-15-11-22(34)12-16-32/h2,4-5,10,13-14,17,20-22,34H,3,6-9,11-12,15-16,18-19H2,1H3,(H,29,30,31)/t20-,21-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 390n/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Binding affinity to MEK4 (unknown origin)


Bioorg Med Chem Lett 23: 1486-92 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.047
More data for this
Ligand-Target Pair
LIM domain kinase 2


(Homo sapiens (Human))
BDBM50440018
PNG
(CHEMBL2425628)
Show SMILES CS(=O)(=O)CCCOc1cccc2n(ccc12)-c1ccnc(N[C@H]2CC[C@@H](CC2)C(=O)N2CCC(O)CC2)n1 |r,wU:23.24,wD:26.31,(28.71,-17.43,;28.01,-18.78,;27.59,-20.26,;29.41,-19.4,;26.53,-18.36,;26.13,-16.88,;24.65,-16.47,;24.27,-14.99,;22.78,-14.58,;21.71,-15.67,;20.2,-15.25,;19.81,-13.8,;20.9,-12.71,;20.81,-11.17,;22.23,-10.62,;23.2,-11.81,;22.38,-13.1,;19.48,-10.41,;19.47,-8.86,;18.15,-8.1,;16.81,-8.87,;16.81,-10.41,;15.47,-11.19,;14.13,-10.42,;12.8,-11.2,;11.46,-10.44,;11.44,-8.89,;12.79,-8.11,;14.12,-8.88,;10.09,-8.13,;10.08,-6.58,;8.76,-8.89,;7.43,-8.12,;6.1,-8.9,;6.1,-10.44,;4.77,-11.21,;7.43,-11.21,;8.76,-10.44,;18.15,-11.18,)|
Show InChI InChI=1S/C28H37N5O5S/c1-39(36,37)19-3-18-38-25-5-2-4-24-23(25)13-17-33(24)26-10-14-29-28(31-26)30-21-8-6-20(7-9-21)27(35)32-15-11-22(34)12-16-32/h2,4-5,10,13-14,17,20-22,34H,3,6-9,11-12,15-16,18-19H2,1H3,(H,29,30,31)/t20-,21-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 2.80E+3n/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Binding affinity to LIMK2 (unknown origin)


Bioorg Med Chem Lett 23: 1486-92 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.047
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 6


(Homo sapiens (Human))
BDBM50440018
PNG
(CHEMBL2425628)
Show SMILES CS(=O)(=O)CCCOc1cccc2n(ccc12)-c1ccnc(N[C@H]2CC[C@@H](CC2)C(=O)N2CCC(O)CC2)n1 |r,wU:23.24,wD:26.31,(28.71,-17.43,;28.01,-18.78,;27.59,-20.26,;29.41,-19.4,;26.53,-18.36,;26.13,-16.88,;24.65,-16.47,;24.27,-14.99,;22.78,-14.58,;21.71,-15.67,;20.2,-15.25,;19.81,-13.8,;20.9,-12.71,;20.81,-11.17,;22.23,-10.62,;23.2,-11.81,;22.38,-13.1,;19.48,-10.41,;19.47,-8.86,;18.15,-8.1,;16.81,-8.87,;16.81,-10.41,;15.47,-11.19,;14.13,-10.42,;12.8,-11.2,;11.46,-10.44,;11.44,-8.89,;12.79,-8.11,;14.12,-8.88,;10.09,-8.13,;10.08,-6.58,;8.76,-8.89,;7.43,-8.12,;6.1,-8.9,;6.1,-10.44,;4.77,-11.21,;7.43,-11.21,;8.76,-10.44,;18.15,-11.18,)|
Show InChI InChI=1S/C28H37N5O5S/c1-39(36,37)19-3-18-38-25-5-2-4-24-23(25)13-17-33(24)26-10-14-29-28(31-26)30-21-8-6-20(7-9-21)27(35)32-15-11-22(34)12-16-32/h2,4-5,10,13-14,17,20-22,34H,3,6-9,11-12,15-16,18-19H2,1H3,(H,29,30,31)/t20-,21-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 330n/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Binding affinity to ERK3 (unknown origin)


Bioorg Med Chem Lett 23: 1486-92 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.047
More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(Homo sapiens (Human))
BDBM50440018
PNG
(CHEMBL2425628)
Show SMILES CS(=O)(=O)CCCOc1cccc2n(ccc12)-c1ccnc(N[C@H]2CC[C@@H](CC2)C(=O)N2CCC(O)CC2)n1 |r,wU:23.24,wD:26.31,(28.71,-17.43,;28.01,-18.78,;27.59,-20.26,;29.41,-19.4,;26.53,-18.36,;26.13,-16.88,;24.65,-16.47,;24.27,-14.99,;22.78,-14.58,;21.71,-15.67,;20.2,-15.25,;19.81,-13.8,;20.9,-12.71,;20.81,-11.17,;22.23,-10.62,;23.2,-11.81,;22.38,-13.1,;19.48,-10.41,;19.47,-8.86,;18.15,-8.1,;16.81,-8.87,;16.81,-10.41,;15.47,-11.19,;14.13,-10.42,;12.8,-11.2,;11.46,-10.44,;11.44,-8.89,;12.79,-8.11,;14.12,-8.88,;10.09,-8.13,;10.08,-6.58,;8.76,-8.89,;7.43,-8.12,;6.1,-8.9,;6.1,-10.44,;4.77,-11.21,;7.43,-11.21,;8.76,-10.44,;18.15,-11.18,)|
Show InChI InChI=1S/C28H37N5O5S/c1-39(36,37)19-3-18-38-25-5-2-4-24-23(25)13-17-33(24)26-10-14-29-28(31-26)30-21-8-6-20(7-9-21)27(35)32-15-11-22(34)12-16-32/h2,4-5,10,13-14,17,20-22,34H,3,6-9,11-12,15-16,18-19H2,1H3,(H,29,30,31)/t20-,21-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 620n/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Binding affinity to CDK7 (unknown origin)


Bioorg Med Chem Lett 23: 1486-92 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.047
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 11A


(Homo sapiens (Human))
BDBM50440018
PNG
(CHEMBL2425628)
Show SMILES CS(=O)(=O)CCCOc1cccc2n(ccc12)-c1ccnc(N[C@H]2CC[C@@H](CC2)C(=O)N2CCC(O)CC2)n1 |r,wU:23.24,wD:26.31,(28.71,-17.43,;28.01,-18.78,;27.59,-20.26,;29.41,-19.4,;26.53,-18.36,;26.13,-16.88,;24.65,-16.47,;24.27,-14.99,;22.78,-14.58,;21.71,-15.67,;20.2,-15.25,;19.81,-13.8,;20.9,-12.71,;20.81,-11.17,;22.23,-10.62,;23.2,-11.81,;22.38,-13.1,;19.48,-10.41,;19.47,-8.86,;18.15,-8.1,;16.81,-8.87,;16.81,-10.41,;15.47,-11.19,;14.13,-10.42,;12.8,-11.2,;11.46,-10.44,;11.44,-8.89,;12.79,-8.11,;14.12,-8.88,;10.09,-8.13,;10.08,-6.58,;8.76,-8.89,;7.43,-8.12,;6.1,-8.9,;6.1,-10.44,;4.77,-11.21,;7.43,-11.21,;8.76,-10.44,;18.15,-11.18,)|
Show InChI InChI=1S/C28H37N5O5S/c1-39(36,37)19-3-18-38-25-5-2-4-24-23(25)13-17-33(24)26-10-14-29-28(31-26)30-21-8-6-20(7-9-21)27(35)32-15-11-22(34)12-16-32/h2,4-5,10,13-14,17,20-22,34H,3,6-9,11-12,15-16,18-19H2,1H3,(H,29,30,31)/t20-,21-
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 2.40E+3n/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Binding affinity to CDC2L2 (unknown origin)


Bioorg Med Chem Lett 23: 1486-92 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.047
More data for this
Ligand-Target Pair
CaM kinase I delta


(Homo sapiens (Human))
BDBM50440018
PNG
(CHEMBL2425628)
Show SMILES CS(=O)(=O)CCCOc1cccc2n(ccc12)-c1ccnc(N[C@H]2CC[C@@H](CC2)C(=O)N2CCC(O)CC2)n1 |r,wU:23.24,wD:26.31,(28.71,-17.43,;28.01,-18.78,;27.59,-20.26,;29.41,-19.4,;26.53,-18.36,;26.13,-16.88,;24.65,-16.47,;24.27,-14.99,;22.78,-14.58,;21.71,-15.67,;20.2,-15.25,;19.81,-13.8,;20.9,-12.71,;20.81,-11.17,;22.23,-10.62,;23.2,-11.81,;22.38,-13.1,;19.48,-10.41,;19.47,-8.86,;18.15,-8.1,;16.81,-8.87,;16.81,-10.41,;15.47,-11.19,;14.13,-10.42,;12.8,-11.2,;11.46,-10.44,;11.44,-8.89,;12.79,-8.11,;14.12,-8.88,;10.09,-8.13,;10.08,-6.58,;8.76,-8.89,;7.43,-8.12,;6.1,-8.9,;6.1,-10.44,;4.77,-11.21,;7.43,-11.21,;8.76,-10.44,;18.15,-11.18,)|
Show InChI InChI=1S/C28H37N5O5S/c1-39(36,37)19-3-18-38-25-5-2-4-24-23(25)13-17-33(24)26-10-14-29-28(31-26)30-21-8-6-20(7-9-21)27(35)32-15-11-22(34)12-16-32/h2,4-5,10,13-14,17,20-22,34H,3,6-9,11-12,15-16,18-19H2,1H3,(H,29,30,31)/t20-,21-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 2.80E+3n/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Binding affinity to CAMK1D (unknown origin)


Bioorg Med Chem Lett 23: 1486-92 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.047
More data for this
Ligand-Target Pair
CaM kinase I alpha


(Homo sapiens (Human))
BDBM50440018
PNG
(CHEMBL2425628)
Show SMILES CS(=O)(=O)CCCOc1cccc2n(ccc12)-c1ccnc(N[C@H]2CC[C@@H](CC2)C(=O)N2CCC(O)CC2)n1 |r,wU:23.24,wD:26.31,(28.71,-17.43,;28.01,-18.78,;27.59,-20.26,;29.41,-19.4,;26.53,-18.36,;26.13,-16.88,;24.65,-16.47,;24.27,-14.99,;22.78,-14.58,;21.71,-15.67,;20.2,-15.25,;19.81,-13.8,;20.9,-12.71,;20.81,-11.17,;22.23,-10.62,;23.2,-11.81,;22.38,-13.1,;19.48,-10.41,;19.47,-8.86,;18.15,-8.1,;16.81,-8.87,;16.81,-10.41,;15.47,-11.19,;14.13,-10.42,;12.8,-11.2,;11.46,-10.44,;11.44,-8.89,;12.79,-8.11,;14.12,-8.88,;10.09,-8.13,;10.08,-6.58,;8.76,-8.89,;7.43,-8.12,;6.1,-8.9,;6.1,-10.44,;4.77,-11.21,;7.43,-11.21,;8.76,-10.44,;18.15,-11.18,)|
Show InChI InChI=1S/C28H37N5O5S/c1-39(36,37)19-3-18-38-25-5-2-4-24-23(25)13-17-33(24)26-10-14-29-28(31-26)30-21-8-6-20(7-9-21)27(35)32-15-11-22(34)12-16-32/h2,4-5,10,13-14,17,20-22,34H,3,6-9,11-12,15-16,18-19H2,1H3,(H,29,30,31)/t20-,21-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 4.30E+3n/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Binding affinity to CAMK1 (unknown origin)


Bioorg Med Chem Lett 23: 1486-92 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.047
More data for this
Ligand-Target Pair
Chaperone activity of bc1 complex-like, mitochondrial


(Homo sapiens (Human))
BDBM50440018
PNG
(CHEMBL2425628)
Show SMILES CS(=O)(=O)CCCOc1cccc2n(ccc12)-c1ccnc(N[C@H]2CC[C@@H](CC2)C(=O)N2CCC(O)CC2)n1 |r,wU:23.24,wD:26.31,(28.71,-17.43,;28.01,-18.78,;27.59,-20.26,;29.41,-19.4,;26.53,-18.36,;26.13,-16.88,;24.65,-16.47,;24.27,-14.99,;22.78,-14.58,;21.71,-15.67,;20.2,-15.25,;19.81,-13.8,;20.9,-12.71,;20.81,-11.17,;22.23,-10.62,;23.2,-11.81,;22.38,-13.1,;19.48,-10.41,;19.47,-8.86,;18.15,-8.1,;16.81,-8.87,;16.81,-10.41,;15.47,-11.19,;14.13,-10.42,;12.8,-11.2,;11.46,-10.44,;11.44,-8.89,;12.79,-8.11,;14.12,-8.88,;10.09,-8.13,;10.08,-6.58,;8.76,-8.89,;7.43,-8.12,;6.1,-8.9,;6.1,-10.44,;4.77,-11.21,;7.43,-11.21,;8.76,-10.44,;18.15,-11.18,)|
Show InChI InChI=1S/C28H37N5O5S/c1-39(36,37)19-3-18-38-25-5-2-4-24-23(25)13-17-33(24)26-10-14-29-28(31-26)30-21-8-6-20(7-9-21)27(35)32-15-11-22(34)12-16-32/h2,4-5,10,13-14,17,20-22,34H,3,6-9,11-12,15-16,18-19H2,1H3,(H,29,30,31)/t20-,21-
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 490n/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Binding affinity to ADCK3 (unknown origin)


Bioorg Med Chem Lett 23: 1486-92 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.047
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50440018
PNG
(CHEMBL2425628)
Show SMILES CS(=O)(=O)CCCOc1cccc2n(ccc12)-c1ccnc(N[C@H]2CC[C@@H](CC2)C(=O)N2CCC(O)CC2)n1 |r,wU:23.24,wD:26.31,(28.71,-17.43,;28.01,-18.78,;27.59,-20.26,;29.41,-19.4,;26.53,-18.36,;26.13,-16.88,;24.65,-16.47,;24.27,-14.99,;22.78,-14.58,;21.71,-15.67,;20.2,-15.25,;19.81,-13.8,;20.9,-12.71,;20.81,-11.17,;22.23,-10.62,;23.2,-11.81,;22.38,-13.1,;19.48,-10.41,;19.47,-8.86,;18.15,-8.1,;16.81,-8.87,;16.81,-10.41,;15.47,-11.19,;14.13,-10.42,;12.8,-11.2,;11.46,-10.44,;11.44,-8.89,;12.79,-8.11,;14.12,-8.88,;10.09,-8.13,;10.08,-6.58,;8.76,-8.89,;7.43,-8.12,;6.1,-8.9,;6.1,-10.44,;4.77,-11.21,;7.43,-11.21,;8.76,-10.44,;18.15,-11.18,)|
Show InChI InChI=1S/C28H37N5O5S/c1-39(36,37)19-3-18-38-25-5-2-4-24-23(25)13-17-33(24)26-10-14-29-28(31-26)30-21-8-6-20(7-9-21)27(35)32-15-11-22(34)12-16-32/h2,4-5,10,13-14,17,20-22,34H,3,6-9,11-12,15-16,18-19H2,1H3,(H,29,30,31)/t20-,21-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 1.90E+3n/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Binding affinity to TTK (unknown origin)


Bioorg Med Chem Lett 23: 1486-92 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.047
More data for this
Ligand-Target Pair
Myosin light chain kinase family member 4


(Homo sapiens (Human))
BDBM50440018
PNG
(CHEMBL2425628)
Show SMILES CS(=O)(=O)CCCOc1cccc2n(ccc12)-c1ccnc(N[C@H]2CC[C@@H](CC2)C(=O)N2CCC(O)CC2)n1 |r,wU:23.24,wD:26.31,(28.71,-17.43,;28.01,-18.78,;27.59,-20.26,;29.41,-19.4,;26.53,-18.36,;26.13,-16.88,;24.65,-16.47,;24.27,-14.99,;22.78,-14.58,;21.71,-15.67,;20.2,-15.25,;19.81,-13.8,;20.9,-12.71,;20.81,-11.17,;22.23,-10.62,;23.2,-11.81,;22.38,-13.1,;19.48,-10.41,;19.47,-8.86,;18.15,-8.1,;16.81,-8.87,;16.81,-10.41,;15.47,-11.19,;14.13,-10.42,;12.8,-11.2,;11.46,-10.44,;11.44,-8.89,;12.79,-8.11,;14.12,-8.88,;10.09,-8.13,;10.08,-6.58,;8.76,-8.89,;7.43,-8.12,;6.1,-8.9,;6.1,-10.44,;4.77,-11.21,;7.43,-11.21,;8.76,-10.44,;18.15,-11.18,)|
Show InChI InChI=1S/C28H37N5O5S/c1-39(36,37)19-3-18-38-25-5-2-4-24-23(25)13-17-33(24)26-10-14-29-28(31-26)30-21-8-6-20(7-9-21)27(35)32-15-11-22(34)12-16-32/h2,4-5,10,13-14,17,20-22,34H,3,6-9,11-12,15-16,18-19H2,1H3,(H,29,30,31)/t20-,21-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 620n/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Binding affinity to SgK085 (unknown origin)


Bioorg Med Chem Lett 23: 1486-92 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.047
More data for this
Ligand-Target Pair
Death-associated protein kinase 2


(Homo sapiens (Human))
BDBM50440018
PNG
(CHEMBL2425628)
Show SMILES CS(=O)(=O)CCCOc1cccc2n(ccc12)-c1ccnc(N[C@H]2CC[C@@H](CC2)C(=O)N2CCC(O)CC2)n1 |r,wU:23.24,wD:26.31,(28.71,-17.43,;28.01,-18.78,;27.59,-20.26,;29.41,-19.4,;26.53,-18.36,;26.13,-16.88,;24.65,-16.47,;24.27,-14.99,;22.78,-14.58,;21.71,-15.67,;20.2,-15.25,;19.81,-13.8,;20.9,-12.71,;20.81,-11.17,;22.23,-10.62,;23.2,-11.81,;22.38,-13.1,;19.48,-10.41,;19.47,-8.86,;18.15,-8.1,;16.81,-8.87,;16.81,-10.41,;15.47,-11.19,;14.13,-10.42,;12.8,-11.2,;11.46,-10.44,;11.44,-8.89,;12.79,-8.11,;14.12,-8.88,;10.09,-8.13,;10.08,-6.58,;8.76,-8.89,;7.43,-8.12,;6.1,-8.9,;6.1,-10.44,;4.77,-11.21,;7.43,-11.21,;8.76,-10.44,;18.15,-11.18,)|
Show InChI InChI=1S/C28H37N5O5S/c1-39(36,37)19-3-18-38-25-5-2-4-24-23(25)13-17-33(24)26-10-14-29-28(31-26)30-21-8-6-20(7-9-21)27(35)32-15-11-22(34)12-16-32/h2,4-5,10,13-14,17,20-22,34H,3,6-9,11-12,15-16,18-19H2,1H3,(H,29,30,31)/t20-,21-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 1.30E+3n/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Binding affinity to DAPK2 (unknown origin)


Bioorg Med Chem Lett 23: 1486-92 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.047
More data for this
Ligand-Target Pair
NUAK family SNF1-like kinase 2


(Homo sapiens (Human))
BDBM50440018
PNG
(CHEMBL2425628)
Show SMILES CS(=O)(=O)CCCOc1cccc2n(ccc12)-c1ccnc(N[C@H]2CC[C@@H](CC2)C(=O)N2CCC(O)CC2)n1 |r,wU:23.24,wD:26.31,(28.71,-17.43,;28.01,-18.78,;27.59,-20.26,;29.41,-19.4,;26.53,-18.36,;26.13,-16.88,;24.65,-16.47,;24.27,-14.99,;22.78,-14.58,;21.71,-15.67,;20.2,-15.25,;19.81,-13.8,;20.9,-12.71,;20.81,-11.17,;22.23,-10.62,;23.2,-11.81,;22.38,-13.1,;19.48,-10.41,;19.47,-8.86,;18.15,-8.1,;16.81,-8.87,;16.81,-10.41,;15.47,-11.19,;14.13,-10.42,;12.8,-11.2,;11.46,-10.44,;11.44,-8.89,;12.79,-8.11,;14.12,-8.88,;10.09,-8.13,;10.08,-6.58,;8.76,-8.89,;7.43,-8.12,;6.1,-8.9,;6.1,-10.44,;4.77,-11.21,;7.43,-11.21,;8.76,-10.44,;18.15,-11.18,)|
Show InChI InChI=1S/C28H37N5O5S/c1-39(36,37)19-3-18-38-25-5-2-4-24-23(25)13-17-33(24)26-10-14-29-28(31-26)30-21-8-6-20(7-9-21)27(35)32-15-11-22(34)12-16-32/h2,4-5,10,13-14,17,20-22,34H,3,6-9,11-12,15-16,18-19H2,1H3,(H,29,30,31)/t20-,21-
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 2.60E+3n/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Binding affinity to SNARK (unknown origin)


Bioorg Med Chem Lett 23: 1486-92 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.047
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50440018
PNG
(CHEMBL2425628)
Show SMILES CS(=O)(=O)CCCOc1cccc2n(ccc12)-c1ccnc(N[C@H]2CC[C@@H](CC2)C(=O)N2CCC(O)CC2)n1 |r,wU:23.24,wD:26.31,(28.71,-17.43,;28.01,-18.78,;27.59,-20.26,;29.41,-19.4,;26.53,-18.36,;26.13,-16.88,;24.65,-16.47,;24.27,-14.99,;22.78,-14.58,;21.71,-15.67,;20.2,-15.25,;19.81,-13.8,;20.9,-12.71,;20.81,-11.17,;22.23,-10.62,;23.2,-11.81,;22.38,-13.1,;19.48,-10.41,;19.47,-8.86,;18.15,-8.1,;16.81,-8.87,;16.81,-10.41,;15.47,-11.19,;14.13,-10.42,;12.8,-11.2,;11.46,-10.44,;11.44,-8.89,;12.79,-8.11,;14.12,-8.88,;10.09,-8.13,;10.08,-6.58,;8.76,-8.89,;7.43,-8.12,;6.1,-8.9,;6.1,-10.44,;4.77,-11.21,;7.43,-11.21,;8.76,-10.44,;18.15,-11.18,)|
Show InChI InChI=1S/C28H37N5O5S/c1-39(36,37)19-3-18-38-25-5-2-4-24-23(25)13-17-33(24)26-10-14-29-28(31-26)30-21-8-6-20(7-9-21)27(35)32-15-11-22(34)12-16-32/h2,4-5,10,13-14,17,20-22,34H,3,6-9,11-12,15-16,18-19H2,1H3,(H,29,30,31)/t20-,21-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 6.80E+3n/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Binding affinity to PDGFRB (unknown origin)


Bioorg Med Chem Lett 23: 1486-92 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.047
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 6


(Homo sapiens (Human))
BDBM50440018
PNG
(CHEMBL2425628)
Show SMILES CS(=O)(=O)CCCOc1cccc2n(ccc12)-c1ccnc(N[C@H]2CC[C@@H](CC2)C(=O)N2CCC(O)CC2)n1 |r,wU:23.24,wD:26.31,(28.71,-17.43,;28.01,-18.78,;27.59,-20.26,;29.41,-19.4,;26.53,-18.36,;26.13,-16.88,;24.65,-16.47,;24.27,-14.99,;22.78,-14.58,;21.71,-15.67,;20.2,-15.25,;19.81,-13.8,;20.9,-12.71,;20.81,-11.17,;22.23,-10.62,;23.2,-11.81,;22.38,-13.1,;19.48,-10.41,;19.47,-8.86,;18.15,-8.1,;16.81,-8.87,;16.81,-10.41,;15.47,-11.19,;14.13,-10.42,;12.8,-11.2,;11.46,-10.44,;11.44,-8.89,;12.79,-8.11,;14.12,-8.88,;10.09,-8.13,;10.08,-6.58,;8.76,-8.89,;7.43,-8.12,;6.1,-8.9,;6.1,-10.44,;4.77,-11.21,;7.43,-11.21,;8.76,-10.44,;18.15,-11.18,)|
Show InChI InChI=1S/C28H37N5O5S/c1-39(36,37)19-3-18-38-25-5-2-4-24-23(25)13-17-33(24)26-10-14-29-28(31-26)30-21-8-6-20(7-9-21)27(35)32-15-11-22(34)12-16-32/h2,4-5,10,13-14,17,20-22,34H,3,6-9,11-12,15-16,18-19H2,1H3,(H,29,30,31)/t20-,21-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 310n/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Binding affinity to MEK6 (unknown origin)


Bioorg Med Chem Lett 23: 1486-92 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.047
More data for this
Ligand-Target Pair
Citron Rho-interacting kinase


(Homo sapiens (Human))
BDBM50440018
PNG
(CHEMBL2425628)
Show SMILES CS(=O)(=O)CCCOc1cccc2n(ccc12)-c1ccnc(N[C@H]2CC[C@@H](CC2)C(=O)N2CCC(O)CC2)n1 |r,wU:23.24,wD:26.31,(28.71,-17.43,;28.01,-18.78,;27.59,-20.26,;29.41,-19.4,;26.53,-18.36,;26.13,-16.88,;24.65,-16.47,;24.27,-14.99,;22.78,-14.58,;21.71,-15.67,;20.2,-15.25,;19.81,-13.8,;20.9,-12.71,;20.81,-11.17,;22.23,-10.62,;23.2,-11.81,;22.38,-13.1,;19.48,-10.41,;19.47,-8.86,;18.15,-8.1,;16.81,-8.87,;16.81,-10.41,;15.47,-11.19,;14.13,-10.42,;12.8,-11.2,;11.46,-10.44,;11.44,-8.89,;12.79,-8.11,;14.12,-8.88,;10.09,-8.13,;10.08,-6.58,;8.76,-8.89,;7.43,-8.12,;6.1,-8.9,;6.1,-10.44,;4.77,-11.21,;7.43,-11.21,;8.76,-10.44,;18.15,-11.18,)|
Show InChI InChI=1S/C28H37N5O5S/c1-39(36,37)19-3-18-38-25-5-2-4-24-23(25)13-17-33(24)26-10-14-29-28(31-26)30-21-8-6-20(7-9-21)27(35)32-15-11-22(34)12-16-32/h2,4-5,10,13-14,17,20-22,34H,3,6-9,11-12,15-16,18-19H2,1H3,(H,29,30,31)/t20-,21-
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 2.70E+3n/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Binding affinity to CIT (unknown origin)


Bioorg Med Chem Lett 23: 1486-92 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.047
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50440018
PNG
(CHEMBL2425628)
Show SMILES CS(=O)(=O)CCCOc1cccc2n(ccc12)-c1ccnc(N[C@H]2CC[C@@H](CC2)C(=O)N2CCC(O)CC2)n1 |r,wU:23.24,wD:26.31,(28.71,-17.43,;28.01,-18.78,;27.59,-20.26,;29.41,-19.4,;26.53,-18.36,;26.13,-16.88,;24.65,-16.47,;24.27,-14.99,;22.78,-14.58,;21.71,-15.67,;20.2,-15.25,;19.81,-13.8,;20.9,-12.71,;20.81,-11.17,;22.23,-10.62,;23.2,-11.81,;22.38,-13.1,;19.48,-10.41,;19.47,-8.86,;18.15,-8.1,;16.81,-8.87,;16.81,-10.41,;15.47,-11.19,;14.13,-10.42,;12.8,-11.2,;11.46,-10.44,;11.44,-8.89,;12.79,-8.11,;14.12,-8.88,;10.09,-8.13,;10.08,-6.58,;8.76,-8.89,;7.43,-8.12,;6.1,-8.9,;6.1,-10.44,;4.77,-11.21,;7.43,-11.21,;8.76,-10.44,;18.15,-11.18,)|
Show InChI InChI=1S/C28H37N5O5S/c1-39(36,37)19-3-18-38-25-5-2-4-24-23(25)13-17-33(24)26-10-14-29-28(31-26)30-21-8-6-20(7-9-21)27(35)32-15-11-22(34)12-16-32/h2,4-5,10,13-14,17,20-22,34H,3,6-9,11-12,15-16,18-19H2,1H3,(H,29,30,31)/t20-,21-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 1.50E+3n/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Binding affinity to ERK2 (unknown origin)


Bioorg Med Chem Lett 23: 1486-92 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.047
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 17A


(Homo sapiens (Human))
BDBM50440018
PNG
(CHEMBL2425628)
Show SMILES CS(=O)(=O)CCCOc1cccc2n(ccc12)-c1ccnc(N[C@H]2CC[C@@H](CC2)C(=O)N2CCC(O)CC2)n1 |r,wU:23.24,wD:26.31,(28.71,-17.43,;28.01,-18.78,;27.59,-20.26,;29.41,-19.4,;26.53,-18.36,;26.13,-16.88,;24.65,-16.47,;24.27,-14.99,;22.78,-14.58,;21.71,-15.67,;20.2,-15.25,;19.81,-13.8,;20.9,-12.71,;20.81,-11.17,;22.23,-10.62,;23.2,-11.81,;22.38,-13.1,;19.48,-10.41,;19.47,-8.86,;18.15,-8.1,;16.81,-8.87,;16.81,-10.41,;15.47,-11.19,;14.13,-10.42,;12.8,-11.2,;11.46,-10.44,;11.44,-8.89,;12.79,-8.11,;14.12,-8.88,;10.09,-8.13,;10.08,-6.58,;8.76,-8.89,;7.43,-8.12,;6.1,-8.9,;6.1,-10.44,;4.77,-11.21,;7.43,-11.21,;8.76,-10.44,;18.15,-11.18,)|
Show InChI InChI=1S/C28H37N5O5S/c1-39(36,37)19-3-18-38-25-5-2-4-24-23(25)13-17-33(24)26-10-14-29-28(31-26)30-21-8-6-20(7-9-21)27(35)32-15-11-22(34)12-16-32/h2,4-5,10,13-14,17,20-22,34H,3,6-9,11-12,15-16,18-19H2,1H3,(H,29,30,31)/t20-,21-
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 440n/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Binding affinity to DRAK1 (unknown origin)


Bioorg Med Chem Lett 23: 1486-92 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.047
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 4


(Homo sapiens (Human))
BDBM50440018
PNG
(CHEMBL2425628)
Show SMILES CS(=O)(=O)CCCOc1cccc2n(ccc12)-c1ccnc(N[C@H]2CC[C@@H](CC2)C(=O)N2CCC(O)CC2)n1 |r,wU:23.24,wD:26.31,(28.71,-17.43,;28.01,-18.78,;27.59,-20.26,;29.41,-19.4,;26.53,-18.36,;26.13,-16.88,;24.65,-16.47,;24.27,-14.99,;22.78,-14.58,;21.71,-15.67,;20.2,-15.25,;19.81,-13.8,;20.9,-12.71,;20.81,-11.17,;22.23,-10.62,;23.2,-11.81,;22.38,-13.1,;19.48,-10.41,;19.47,-8.86,;18.15,-8.1,;16.81,-8.87,;16.81,-10.41,;15.47,-11.19,;14.13,-10.42,;12.8,-11.2,;11.46,-10.44,;11.44,-8.89,;12.79,-8.11,;14.12,-8.88,;10.09,-8.13,;10.08,-6.58,;8.76,-8.89,;7.43,-8.12,;6.1,-8.9,;6.1,-10.44,;4.77,-11.21,;7.43,-11.21,;8.76,-10.44,;18.15,-11.18,)|
Show InChI InChI=1S/C28H37N5O5S/c1-39(36,37)19-3-18-38-25-5-2-4-24-23(25)13-17-33(24)26-10-14-29-28(31-26)30-21-8-6-20(7-9-21)27(35)32-15-11-22(34)12-16-32/h2,4-5,10,13-14,17,20-22,34H,3,6-9,11-12,15-16,18-19H2,1H3,(H,29,30,31)/t20-,21-
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 1.10E+4n/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Binding affinity to ERK4 (unknown origin)


Bioorg Med Chem Lett 23: 1486-92 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.047
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase DCLK3


(Homo sapiens (Human))
BDBM50440018
PNG
(CHEMBL2425628)
Show SMILES CS(=O)(=O)CCCOc1cccc2n(ccc12)-c1ccnc(N[C@H]2CC[C@@H](CC2)C(=O)N2CCC(O)CC2)n1 |r,wU:23.24,wD:26.31,(28.71,-17.43,;28.01,-18.78,;27.59,-20.26,;29.41,-19.4,;26.53,-18.36,;26.13,-16.88,;24.65,-16.47,;24.27,-14.99,;22.78,-14.58,;21.71,-15.67,;20.2,-15.25,;19.81,-13.8,;20.9,-12.71,;20.81,-11.17,;22.23,-10.62,;23.2,-11.81,;22.38,-13.1,;19.48,-10.41,;19.47,-8.86,;18.15,-8.1,;16.81,-8.87,;16.81,-10.41,;15.47,-11.19,;14.13,-10.42,;12.8,-11.2,;11.46,-10.44,;11.44,-8.89,;12.79,-8.11,;14.12,-8.88,;10.09,-8.13,;10.08,-6.58,;8.76,-8.89,;7.43,-8.12,;6.1,-8.9,;6.1,-10.44,;4.77,-11.21,;7.43,-11.21,;8.76,-10.44,;18.15,-11.18,)|
Show InChI InChI=1S/C28H37N5O5S/c1-39(36,37)19-3-18-38-25-5-2-4-24-23(25)13-17-33(24)26-10-14-29-28(31-26)30-21-8-6-20(7-9-21)27(35)32-15-11-22(34)12-16-32/h2,4-5,10,13-14,17,20-22,34H,3,6-9,11-12,15-16,18-19H2,1H3,(H,29,30,31)/t20-,21-
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 1.80E+3n/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Binding affinity to DCAMKL3 (unknown origin)


Bioorg Med Chem Lett 23: 1486-92 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.047
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase NEK7


(Homo sapiens (Human))
BDBM50440018
PNG
(CHEMBL2425628)
Show SMILES CS(=O)(=O)CCCOc1cccc2n(ccc12)-c1ccnc(N[C@H]2CC[C@@H](CC2)C(=O)N2CCC(O)CC2)n1 |r,wU:23.24,wD:26.31,(28.71,-17.43,;28.01,-18.78,;27.59,-20.26,;29.41,-19.4,;26.53,-18.36,;26.13,-16.88,;24.65,-16.47,;24.27,-14.99,;22.78,-14.58,;21.71,-15.67,;20.2,-15.25,;19.81,-13.8,;20.9,-12.71,;20.81,-11.17,;22.23,-10.62,;23.2,-11.81,;22.38,-13.1,;19.48,-10.41,;19.47,-8.86,;18.15,-8.1,;16.81,-8.87,;16.81,-10.41,;15.47,-11.19,;14.13,-10.42,;12.8,-11.2,;11.46,-10.44,;11.44,-8.89,;12.79,-8.11,;14.12,-8.88,;10.09,-8.13,;10.08,-6.58,;8.76,-8.89,;7.43,-8.12,;6.1,-8.9,;6.1,-10.44,;4.77,-11.21,;7.43,-11.21,;8.76,-10.44,;18.15,-11.18,)|
Show InChI InChI=1S/C28H37N5O5S/c1-39(36,37)19-3-18-38-25-5-2-4-24-23(25)13-17-33(24)26-10-14-29-28(31-26)30-21-8-6-20(7-9-21)27(35)32-15-11-22(34)12-16-32/h2,4-5,10,13-14,17,20-22,34H,3,6-9,11-12,15-16,18-19H2,1H3,(H,29,30,31)/t20-,21-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 6.90E+3n/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Binding affinity to NEK7 (unknown origin)


Bioorg Med Chem Lett 23: 1486-92 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.047
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 15


(Homo sapiens (Human))
BDBM50440018
PNG
(CHEMBL2425628)
Show SMILES CS(=O)(=O)CCCOc1cccc2n(ccc12)-c1ccnc(N[C@H]2CC[C@@H](CC2)C(=O)N2CCC(O)CC2)n1 |r,wU:23.24,wD:26.31,(28.71,-17.43,;28.01,-18.78,;27.59,-20.26,;29.41,-19.4,;26.53,-18.36,;26.13,-16.88,;24.65,-16.47,;24.27,-14.99,;22.78,-14.58,;21.71,-15.67,;20.2,-15.25,;19.81,-13.8,;20.9,-12.71,;20.81,-11.17,;22.23,-10.62,;23.2,-11.81,;22.38,-13.1,;19.48,-10.41,;19.47,-8.86,;18.15,-8.1,;16.81,-8.87,;16.81,-10.41,;15.47,-11.19,;14.13,-10.42,;12.8,-11.2,;11.46,-10.44,;11.44,-8.89,;12.79,-8.11,;14.12,-8.88,;10.09,-8.13,;10.08,-6.58,;8.76,-8.89,;7.43,-8.12,;6.1,-8.9,;6.1,-10.44,;4.77,-11.21,;7.43,-11.21,;8.76,-10.44,;18.15,-11.18,)|
Show InChI InChI=1S/C28H37N5O5S/c1-39(36,37)19-3-18-38-25-5-2-4-24-23(25)13-17-33(24)26-10-14-29-28(31-26)30-21-8-6-20(7-9-21)27(35)32-15-11-22(34)12-16-32/h2,4-5,10,13-14,17,20-22,34H,3,6-9,11-12,15-16,18-19H2,1H3,(H,29,30,31)/t20-,21-
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 650n/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Binding affinity to ERK8 (unknown origin)


Bioorg Med Chem Lett 23: 1486-92 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.047
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%