new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 44 hits with Last Name = 'thress' and Initial = 'k'   
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
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50392791
PNG
(CHEMBL2151321 | US8486966, 1)
Show SMILES CC(C)Oc1cc(n[nH]1)-n1cnc2ccc(N[C@@H](C)c3ccc(F)cn3)nc12 |r|
Show InChI InChI=1S/C19H20FN7O/c1-11(2)28-18-8-17(25-26-18)27-10-22-15-6-7-16(24-19(15)27)23-12(3)14-5-4-13(20)9-21-14/h4-12H,1-3H3,(H,23,24)(H,25,26)/t12-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Abl


ACS Med Chem Lett 3: 705-709 (2012)


Article DOI: 10.1021/ml300074j
BindingDB Entry DOI: 10.7270/Q2GH9K2G
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM50392791
PNG
(CHEMBL2151321 | US8486966, 1)
Show SMILES CC(C)Oc1cc(n[nH]1)-n1cnc2ccc(N[C@@H](C)c3ccc(F)cn3)nc12 |r|
Show InChI InChI=1S/C19H20FN7O/c1-11(2)28-18-8-17(25-26-18)27-10-22-15-6-7-16(24-19(15)27)23-12(3)14-5-4-13(20)9-21-14/h4-12H,1-3H3,(H,23,24)(H,25,26)/t12-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of TrkA


ACS Med Chem Lett 3: 705-709 (2012)


Article DOI: 10.1021/ml300074j
BindingDB Entry DOI: 10.7270/Q2GH9K2G
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50392791
PNG
(CHEMBL2151321 | US8486966, 1)
Show SMILES CC(C)Oc1cc(n[nH]1)-n1cnc2ccc(N[C@@H](C)c3ccc(F)cn3)nc12 |r|
Show InChI InChI=1S/C19H20FN7O/c1-11(2)28-18-8-17(25-26-18)27-10-22-15-6-7-16(24-19(15)27)23-12(3)14-5-4-13(20)9-21-14/h4-12H,1-3H3,(H,23,24)(H,25,26)/t12-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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



TBA

Curated by ChEMBL


Assay Description
Inhibition of Flt3


ACS Med Chem Lett 3: 705-709 (2012)


Article DOI: 10.1021/ml300074j
BindingDB Entry DOI: 10.7270/Q2GH9K2G
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (Human))
BDBM50392791
PNG
(CHEMBL2151321 | US8486966, 1)
Show SMILES CC(C)Oc1cc(n[nH]1)-n1cnc2ccc(N[C@@H](C)c3ccc(F)cn3)nc12 |r|
Show InChI InChI=1S/C19H20FN7O/c1-11(2)28-18-8-17(25-26-18)27-10-22-15-6-7-16(24-19(15)27)23-12(3)14-5-4-13(20)9-21-14/h4-12H,1-3H3,(H,23,24)(H,25,26)/t12-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Fgr


ACS Med Chem Lett 3: 705-709 (2012)


Article DOI: 10.1021/ml300074j
BindingDB Entry DOI: 10.7270/Q2GH9K2G
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50392791
PNG
(CHEMBL2151321 | US8486966, 1)
Show SMILES CC(C)Oc1cc(n[nH]1)-n1cnc2ccc(N[C@@H](C)c3ccc(F)cn3)nc12 |r|
Show InChI InChI=1S/C19H20FN7O/c1-11(2)28-18-8-17(25-26-18)27-10-22-15-6-7-16(24-19(15)27)23-12(3)14-5-4-13(20)9-21-14/h4-12H,1-3H3,(H,23,24)(H,25,26)/t12-/m0/s1
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/a 3.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of BTK


ACS Med Chem Lett 3: 705-709 (2012)


Article DOI: 10.1021/ml300074j
BindingDB Entry DOI: 10.7270/Q2GH9K2G
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase SIK1


(Homo sapiens (Human))
BDBM50392791
PNG
(CHEMBL2151321 | US8486966, 1)
Show SMILES CC(C)Oc1cc(n[nH]1)-n1cnc2ccc(N[C@@H](C)c3ccc(F)cn3)nc12 |r|
Show InChI InChI=1S/C19H20FN7O/c1-11(2)28-18-8-17(25-26-18)27-10-22-15-6-7-16(24-19(15)27)23-12(3)14-5-4-13(20)9-21-14/h4-12H,1-3H3,(H,23,24)(H,25,26)/t12-/m0/s1
NCI pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of SIK


ACS Med Chem Lett 3: 705-709 (2012)


Article DOI: 10.1021/ml300074j
BindingDB Entry DOI: 10.7270/Q2GH9K2G
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM24705
PNG
(4-aminopyrazolylpyrimidine analogue, 10k | 5-bromo...)
Show SMILES C[C@H](Nc1ncc(Br)c(Nc2cc(n[nH]2)C2CC2)n1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C18H18BrFN6/c1-10(11-4-6-13(20)7-5-11)22-18-21-9-14(19)17(24-18)23-16-8-15(25-26-16)12-2-3-12/h4-10,12H,2-3H2,1H3,(H3,21,22,23,24,25,26)/t10-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6n/an/an/an/a7.422



AstraZeneca



Assay Description
TrkA kinase activity was determined by measuring the kinase ability to phosphorylate synthetic tyrosine residues within a generic polypeptide substra...


J Med Chem 51: 4672-84 (2008)


Article DOI: 10.1021/jm800343j
BindingDB Entry DOI: 10.7270/Q2RN365V
More data for this
Ligand-Target Pair
Phosphorylase kinase


(Homo sapiens (Human))
BDBM50392791
PNG
(CHEMBL2151321 | US8486966, 1)
Show SMILES CC(C)Oc1cc(n[nH]1)-n1cnc2ccc(N[C@@H](C)c3ccc(F)cn3)nc12 |r|
Show InChI InChI=1S/C19H20FN7O/c1-11(2)28-18-8-17(25-26-18)27-10-22-15-6-7-16(24-19(15)27)23-12(3)14-5-4-13(20)9-21-14/h4-12H,1-3H3,(H,23,24)(H,25,26)/t12-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of PhKg2


ACS Med Chem Lett 3: 705-709 (2012)


Article DOI: 10.1021/ml300074j
BindingDB Entry DOI: 10.7270/Q2GH9K2G
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50392791
PNG
(CHEMBL2151321 | US8486966, 1)
Show SMILES CC(C)Oc1cc(n[nH]1)-n1cnc2ccc(N[C@@H](C)c3ccc(F)cn3)nc12 |r|
Show InChI InChI=1S/C19H20FN7O/c1-11(2)28-18-8-17(25-26-18)27-10-22-15-6-7-16(24-19(15)27)23-12(3)14-5-4-13(20)9-21-14/h4-12H,1-3H3,(H,23,24)(H,25,26)/t12-/m0/s1
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/a 8.70n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of FGFR1


ACS Med Chem Lett 3: 705-709 (2012)


Article DOI: 10.1021/ml300074j
BindingDB Entry DOI: 10.7270/Q2GH9K2G
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM24706
PNG
((2R)-2-({5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-y...)
Show SMILES OC[C@H](Nc1ncc(Cl)c(Nc2cc(n[nH]2)C2CC2)n1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C18H18ClFN6O/c19-13-8-21-18(22-15(9-27)11-3-5-12(20)6-4-11)24-17(13)23-16-7-14(25-26-16)10-1-2-10/h3-8,10,15,27H,1-2,9H2,(H3,21,22,23,24,25,26)/t15-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 10n/an/an/an/a7.422



AstraZeneca



Assay Description
TrkA kinase activity was determined by measuring the kinase ability to phosphorylate synthetic tyrosine residues within a generic polypeptide substra...


J Med Chem 51: 4672-84 (2008)


Article DOI: 10.1021/jm800343j
BindingDB Entry DOI: 10.7270/Q2RN365V
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM24707
PNG
((3S)-3-({5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-y...)
Show SMILES CN(C)C(=O)C[C@H](Nc1ncc(Cl)c(Nc2cc(n[nH]2)C2CC2)n1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C21H23ClFN7O/c1-30(2)19(31)10-16(12-5-7-14(23)8-6-12)25-21-24-11-15(22)20(27-21)26-18-9-17(28-29-18)13-3-4-13/h5-9,11,13,16H,3-4,10H2,1-2H3,(H3,24,25,26,27,28,29)/t16-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 13n/an/an/an/a7.422



AstraZeneca



Assay Description
TrkA kinase activity was determined by measuring the kinase ability to phosphorylate synthetic tyrosine residues within a generic polypeptide substra...


J Med Chem 51: 4672-84 (2008)


Article DOI: 10.1021/jm800343j
BindingDB Entry DOI: 10.7270/Q2RN365V
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50392791
PNG
(CHEMBL2151321 | US8486966, 1)
Show SMILES CC(C)Oc1cc(n[nH]1)-n1cnc2ccc(N[C@@H](C)c3ccc(F)cn3)nc12 |r|
Show InChI InChI=1S/C19H20FN7O/c1-11(2)28-18-8-17(25-26-18)27-10-22-15-6-7-16(24-19(15)27)23-12(3)14-5-4-13(20)9-21-14/h4-12H,1-3H3,(H,23,24)(H,25,26)/t12-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 13.4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of SAPK2a


ACS Med Chem Lett 3: 705-709 (2012)


Article DOI: 10.1021/ml300074j
BindingDB Entry DOI: 10.7270/Q2GH9K2G
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM24708
PNG
((3S)-3-({5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-y...)
Show SMILES CNC(=O)C[C@H](Nc1ncc(Cl)c(Nc2cc(n[nH]2)C2CC2)n1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C20H21ClFN7O/c1-23-18(30)9-15(11-4-6-13(22)7-5-11)25-20-24-10-14(21)19(27-20)26-17-8-16(28-29-17)12-2-3-12/h4-8,10,12,15H,2-3,9H2,1H3,(H,23,30)(H3,24,25,26,27,28,29)/t15-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 15n/an/an/an/a7.422



AstraZeneca



Assay Description
TrkA kinase activity was determined by measuring the kinase ability to phosphorylate synthetic tyrosine residues within a generic polypeptide substra...


J Med Chem 51: 4672-84 (2008)


Article DOI: 10.1021/jm800343j
BindingDB Entry DOI: 10.7270/Q2RN365V
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50392791
PNG
(CHEMBL2151321 | US8486966, 1)
Show SMILES CC(C)Oc1cc(n[nH]1)-n1cnc2ccc(N[C@@H](C)c3ccc(F)cn3)nc12 |r|
Show InChI InChI=1S/C19H20FN7O/c1-11(2)28-18-8-17(25-26-18)27-10-22-15-6-7-16(24-19(15)27)23-12(3)14-5-4-13(20)9-21-14/h4-12H,1-3H3,(H,23,24)(H,25,26)/t12-/m0/s1
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/a 17.2n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of FAK


ACS Med Chem Lett 3: 705-709 (2012)


Article DOI: 10.1021/ml300074j
BindingDB Entry DOI: 10.7270/Q2GH9K2G
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50392791
PNG
(CHEMBL2151321 | US8486966, 1)
Show SMILES CC(C)Oc1cc(n[nH]1)-n1cnc2ccc(N[C@@H](C)c3ccc(F)cn3)nc12 |r|
Show InChI InChI=1S/C19H20FN7O/c1-11(2)28-18-8-17(25-26-18)27-10-22-15-6-7-16(24-19(15)27)23-12(3)14-5-4-13(20)9-21-14/h4-12H,1-3H3,(H,23,24)(H,25,26)/t12-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 18.2n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of cSrc


ACS Med Chem Lett 3: 705-709 (2012)


Article DOI: 10.1021/ml300074j
BindingDB Entry DOI: 10.7270/Q2GH9K2G
More data for this
Ligand-Target Pair
Testis-specific serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50392791
PNG
(CHEMBL2151321 | US8486966, 1)
Show SMILES CC(C)Oc1cc(n[nH]1)-n1cnc2ccc(N[C@@H](C)c3ccc(F)cn3)nc12 |r|
Show InChI InChI=1S/C19H20FN7O/c1-11(2)28-18-8-17(25-26-18)27-10-22-15-6-7-16(24-19(15)27)23-12(3)14-5-4-13(20)9-21-14/h4-12H,1-3H3,(H,23,24)(H,25,26)/t12-/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 30.6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of TSSK2


ACS Med Chem Lett 3: 705-709 (2012)


Article DOI: 10.1021/ml300074j
BindingDB Entry DOI: 10.7270/Q2GH9K2G
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50392791
PNG
(CHEMBL2151321 | US8486966, 1)
Show SMILES CC(C)Oc1cc(n[nH]1)-n1cnc2ccc(N[C@@H](C)c3ccc(F)cn3)nc12 |r|
Show InChI InChI=1S/C19H20FN7O/c1-11(2)28-18-8-17(25-26-18)27-10-22-15-6-7-16(24-19(15)27)23-12(3)14-5-4-13(20)9-21-14/h4-12H,1-3H3,(H,23,24)(H,25,26)/t12-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 34.1n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of ALK


ACS Med Chem Lett 3: 705-709 (2012)


Article DOI: 10.1021/ml300074j
BindingDB Entry DOI: 10.7270/Q2GH9K2G
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 9 (MLK1)


(Homo sapiens (Human))
BDBM50392791
PNG
(CHEMBL2151321 | US8486966, 1)
Show SMILES CC(C)Oc1cc(n[nH]1)-n1cnc2ccc(N[C@@H](C)c3ccc(F)cn3)nc12 |r|
Show InChI InChI=1S/C19H20FN7O/c1-11(2)28-18-8-17(25-26-18)27-10-22-15-6-7-16(24-19(15)27)23-12(3)14-5-4-13(20)9-21-14/h4-12H,1-3H3,(H,23,24)(H,25,26)/t12-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 44.3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MLK1


ACS Med Chem Lett 3: 705-709 (2012)


Article DOI: 10.1021/ml300074j
BindingDB Entry DOI: 10.7270/Q2GH9K2G
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50392791
PNG
(CHEMBL2151321 | US8486966, 1)
Show SMILES CC(C)Oc1cc(n[nH]1)-n1cnc2ccc(N[C@@H](C)c3ccc(F)cn3)nc12 |r|
Show InChI InChI=1S/C19H20FN7O/c1-11(2)28-18-8-17(25-26-18)27-10-22-15-6-7-16(24-19(15)27)23-12(3)14-5-4-13(20)9-21-14/h4-12H,1-3H3,(H,23,24)(H,25,26)/t12-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 64n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of FLT4


ACS Med Chem Lett 3: 705-709 (2012)


Article DOI: 10.1021/ml300074j
BindingDB Entry DOI: 10.7270/Q2GH9K2G
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50392791
PNG
(CHEMBL2151321 | US8486966, 1)
Show SMILES CC(C)Oc1cc(n[nH]1)-n1cnc2ccc(N[C@@H](C)c3ccc(F)cn3)nc12 |r|
Show InChI InChI=1S/C19H20FN7O/c1-11(2)28-18-8-17(25-26-18)27-10-22-15-6-7-16(24-19(15)27)23-12(3)14-5-4-13(20)9-21-14/h4-12H,1-3H3,(H,23,24)(H,25,26)/t12-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 68.3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of JAK2


ACS Med Chem Lett 3: 705-709 (2012)


Article DOI: 10.1021/ml300074j
BindingDB Entry DOI: 10.7270/Q2GH9K2G
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50392791
PNG
(CHEMBL2151321 | US8486966, 1)
Show SMILES CC(C)Oc1cc(n[nH]1)-n1cnc2ccc(N[C@@H](C)c3ccc(F)cn3)nc12 |r|
Show InChI InChI=1S/C19H20FN7O/c1-11(2)28-18-8-17(25-26-18)27-10-22-15-6-7-16(24-19(15)27)23-12(3)14-5-4-13(20)9-21-14/h4-12H,1-3H3,(H,23,24)(H,25,26)/t12-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 72.2n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Itk


ACS Med Chem Lett 3: 705-709 (2012)


Article DOI: 10.1021/ml300074j
BindingDB Entry DOI: 10.7270/Q2GH9K2G
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WNK3


(Homo sapiens (Human))
BDBM50392791
PNG
(CHEMBL2151321 | US8486966, 1)
Show SMILES CC(C)Oc1cc(n[nH]1)-n1cnc2ccc(N[C@@H](C)c3ccc(F)cn3)nc12 |r|
Show InChI InChI=1S/C19H20FN7O/c1-11(2)28-18-8-17(25-26-18)27-10-22-15-6-7-16(24-19(15)27)23-12(3)14-5-4-13(20)9-21-14/h4-12H,1-3H3,(H,23,24)(H,25,26)/t12-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 99.8n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of WNK3


ACS Med Chem Lett 3: 705-709 (2012)


Article DOI: 10.1021/ml300074j
BindingDB Entry DOI: 10.7270/Q2GH9K2G
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM24701
PNG
(4-aminopyrazolylpyrimidine analogue, 10g | 5-bromo...)
Show SMILES C[C@H](Nc1ncc(Br)c(Nc2cc(n[nH]2)C2CC2)n1)c1ccccc1 |r|
Show InChI InChI=1S/C18H19BrN6/c1-11(12-5-3-2-4-6-12)21-18-20-10-14(19)17(23-18)22-16-9-15(24-25-16)13-7-8-13/h2-6,9-11,13H,7-8H2,1H3,(H3,20,21,22,23,24,25)/t11-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 100n/an/an/an/a7.422



AstraZeneca



Assay Description
TrkA kinase activity was determined by measuring the kinase ability to phosphorylate synthetic tyrosine residues within a generic polypeptide substra...


J Med Chem 51: 4672-84 (2008)


Article DOI: 10.1021/jm800343j
BindingDB Entry DOI: 10.7270/Q2RN365V
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM24699
PNG
(4-aminopyrazolylpyrimidine analogue, 10e | 5-bromo...)
Show SMILES Fc1ccc(CNc2ncc(Br)c(Nc3cc(n[nH]3)C3CC3)n2)cc1
Show InChI InChI=1S/C17H16BrFN6/c18-13-9-21-17(20-8-10-1-5-12(19)6-2-10)23-16(13)22-15-7-14(24-25-15)11-3-4-11/h1-2,5-7,9,11H,3-4,8H2,(H3,20,21,22,23,24,25)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 100n/an/an/an/a7.422



AstraZeneca



Assay Description
TrkA kinase activity was determined by measuring the kinase ability to phosphorylate synthetic tyrosine residues within a generic polypeptide substra...


J Med Chem 51: 4672-84 (2008)


Article DOI: 10.1021/jm800343j
BindingDB Entry DOI: 10.7270/Q2RN365V
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM24698
PNG
(4-aminopyrazolylpyrimidine analogue, 10d | 5-bromo...)
Show SMILES COc1ccccc1CNc1ncc(Br)c(Nc2cc(n[nH]2)C2CC2)n1
Show InChI InChI=1S/C18H19BrN6O/c1-26-15-5-3-2-4-12(15)9-20-18-21-10-13(19)17(23-18)22-16-8-14(24-25-16)11-6-7-11/h2-5,8,10-11H,6-7,9H2,1H3,(H3,20,21,22,23,24,25)
PDB
MMDB

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 120n/an/an/an/a7.422



AstraZeneca



Assay Description
TrkA kinase activity was determined by measuring the kinase ability to phosphorylate synthetic tyrosine residues within a generic polypeptide substra...


J Med Chem 51: 4672-84 (2008)


Article DOI: 10.1021/jm800343j
BindingDB Entry DOI: 10.7270/Q2RN365V
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM24704
PNG
((2R)-2-({5-bromo-4-[(5-cyclopropyl-1H-pyrazol-3-yl...)
Show SMILES OC[C@H](Nc1ncc(Br)c(Nc2cc(n[nH]2)C2CC2)n1)c1ccccc1 |r|
Show InChI InChI=1S/C18H19BrN6O/c19-13-9-20-18(21-15(10-26)11-4-2-1-3-5-11)23-17(13)22-16-8-14(24-25-16)12-6-7-12/h1-5,8-9,12,15,26H,6-7,10H2,(H3,20,21,22,23,24,25)/t15-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 120n/an/an/an/a7.422



AstraZeneca



Assay Description
TrkA kinase activity was determined by measuring the kinase ability to phosphorylate synthetic tyrosine residues within a generic polypeptide substra...


J Med Chem 51: 4672-84 (2008)


Article DOI: 10.1021/jm800343j
BindingDB Entry DOI: 10.7270/Q2RN365V
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM24694
PNG
(4-aminopyrazolylpyrimidine analogue, 5 | 5-bromo-4...)
Show SMILES Cc1cc(CNc2ncc(Br)c(Nc3cc(n[nH]3)C3CC3)n2)on1
Show InChI InChI=1S/C15H16BrN7O/c1-8-4-10(24-23-8)6-17-15-18-7-11(16)14(20-15)19-13-5-12(21-22-13)9-2-3-9/h4-5,7,9H,2-3,6H2,1H3,(H3,17,18,19,20,21,22)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 270n/an/an/an/a7.422



AstraZeneca



Assay Description
TrkA kinase activity was determined by measuring the kinase ability to phosphorylate synthetic tyrosine residues within a generic polypeptide substra...


J Med Chem 51: 4672-84 (2008)


Article DOI: 10.1021/jm800343j
BindingDB Entry DOI: 10.7270/Q2RN365V
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM24700
PNG
(4-aminopyrazolylpyrimidine analogue, 10f | 5-bromo...)
Show SMILES Clc1ccc(CNc2ncc(Br)c(Nc3cc(n[nH]3)C3CC3)n2)cc1
Show InChI InChI=1S/C17H16BrClN6/c18-13-9-21-17(20-8-10-1-5-12(19)6-2-10)23-16(13)22-15-7-14(24-25-15)11-3-4-11/h1-2,5-7,9,11H,3-4,8H2,(H3,20,21,22,23,24,25)
PDB
MMDB

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 360n/an/an/an/a7.422



AstraZeneca



Assay Description
TrkA kinase activity was determined by measuring the kinase ability to phosphorylate synthetic tyrosine residues within a generic polypeptide substra...


J Med Chem 51: 4672-84 (2008)


Article DOI: 10.1021/jm800343j
BindingDB Entry DOI: 10.7270/Q2RN365V
More data for this
Ligand-Target Pair
BDNF/NT-3 growth factors receptor


(Homo sapiens (Human))
BDBM14824
PNG
(4-({5-bromo-4-[(4-methoxyphenyl)amino]pyrimidin-2-...)
Show SMILES COc1ccc(Nc2nc(Nc3ccc(cc3)C(O)=O)ncc2Br)cc1
Show InChI InChI=1S/C18H15BrN4O3/c1-26-14-8-6-12(7-9-14)21-16-15(19)10-20-18(23-16)22-13-4-2-11(3-5-13)17(24)25/h2-10H,1H3,(H,24,25)(H2,20,21,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 646n/an/an/an/a7.422



AstraZeneca



Assay Description
TrkB kinase activity was measured against its ability to phosphorylate synthetic tyrosine residues within a generic polypeptide substrate using homog...


J Med Chem 51: 4672-84 (2008)


Article DOI: 10.1021/jm800343j
BindingDB Entry DOI: 10.7270/Q2RN365V
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM24702
PNG
(4-aminopyrazolylpyrimidine analogue, 10h | 5-bromo...)
Show SMILES C[C@@H](Nc1ncc(Br)c(Nc2cc(n[nH]2)C2CC2)n1)c1ccccc1 |r|
Show InChI InChI=1S/C18H19BrN6/c1-11(12-5-3-2-4-6-12)21-18-20-10-14(19)17(23-18)22-16-9-15(24-25-16)13-7-8-13/h2-6,9-11,13H,7-8H2,1H3,(H3,20,21,22,23,24,25)/t11-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 650n/an/an/an/a7.422



AstraZeneca



Assay Description
TrkA kinase activity was determined by measuring the kinase ability to phosphorylate synthetic tyrosine residues within a generic polypeptide substra...


J Med Chem 51: 4672-84 (2008)


Article DOI: 10.1021/jm800343j
BindingDB Entry DOI: 10.7270/Q2RN365V
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM24696
PNG
(4-aminopyrazolylpyrimidine analogue, 10b | 5-bromo...)
Show SMILES COc1cccc(CNc2ncc(Br)c(Nc3cc(n[nH]3)C3CC3)n2)c1
Show InChI InChI=1S/C18H19BrN6O/c1-26-13-4-2-3-11(7-13)9-20-18-21-10-14(19)17(23-18)22-16-8-15(24-25-16)12-5-6-12/h2-4,7-8,10,12H,5-6,9H2,1H3,(H3,20,21,22,23,24,25)
PDB
MMDB

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 720n/an/an/an/a7.422



AstraZeneca



Assay Description
TrkA kinase activity was determined by measuring the kinase ability to phosphorylate synthetic tyrosine residues within a generic polypeptide substra...


J Med Chem 51: 4672-84 (2008)


Article DOI: 10.1021/jm800343j
BindingDB Entry DOI: 10.7270/Q2RN365V
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM24695
PNG
(2-N-benzyl-5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3...)
Show SMILES Brc1cnc(NCc2ccccc2)nc1Nc1cc(n[nH]1)C1CC1
Show InChI InChI=1S/C17H17BrN6/c18-13-10-20-17(19-9-11-4-2-1-3-5-11)22-16(13)21-15-8-14(23-24-15)12-6-7-12/h1-5,8,10,12H,6-7,9H2,(H3,19,20,21,22,23,24)
PDB
MMDB

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 750n/an/an/an/a7.422



AstraZeneca



Assay Description
TrkA kinase activity was determined by measuring the kinase ability to phosphorylate synthetic tyrosine residues within a generic polypeptide substra...


J Med Chem 51: 4672-84 (2008)


Article DOI: 10.1021/jm800343j
BindingDB Entry DOI: 10.7270/Q2RN365V
More data for this
Ligand-Target Pair
BDNF/NT-3 growth factors receptor


(Homo sapiens (Human))
BDBM24694
PNG
(4-aminopyrazolylpyrimidine analogue, 5 | 5-bromo-4...)
Show SMILES Cc1cc(CNc2ncc(Br)c(Nc3cc(n[nH]3)C3CC3)n2)on1
Show InChI InChI=1S/C15H16BrN7O/c1-8-4-10(24-23-8)6-17-15-18-7-11(16)14(20-15)19-13-5-12(21-22-13)9-2-3-9/h4-5,7,9H,2-3,6H2,1H3,(H3,17,18,19,20,21,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.10E+3n/an/an/an/a7.422



AstraZeneca



Assay Description
TrkB kinase activity was measured against its ability to phosphorylate synthetic tyrosine residues within a generic polypeptide substrate using homog...


J Med Chem 51: 4672-84 (2008)


Article DOI: 10.1021/jm800343j
BindingDB Entry DOI: 10.7270/Q2RN365V
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM24697
PNG
(4-aminopyrazolylpyrimidine analogue, 10c | 5-bromo...)
Show SMILES Clc1ccccc1CNc1ncc(Br)c(Nc2cc(n[nH]2)C2CC2)n1
Show InChI InChI=1S/C17H16BrClN6/c18-12-9-21-17(20-8-11-3-1-2-4-13(11)19)23-16(12)22-15-7-14(24-25-15)10-5-6-10/h1-4,7,9-10H,5-6,8H2,(H3,20,21,22,23,24,25)
PDB
MMDB

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 1.17E+3n/an/an/an/a7.422



AstraZeneca



Assay Description
TrkA kinase activity was determined by measuring the kinase ability to phosphorylate synthetic tyrosine residues within a generic polypeptide substra...


J Med Chem 51: 4672-84 (2008)


Article DOI: 10.1021/jm800343j
BindingDB Entry DOI: 10.7270/Q2RN365V
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM24703
PNG
((2S)-2-({5-bromo-4-[(5-cyclopropyl-1H-pyrazol-3-yl...)
Show SMILES OC[C@@H](Nc1ncc(Br)c(Nc2cc(n[nH]2)C2CC2)n1)c1ccccc1 |r|
Show InChI InChI=1S/C18H19BrN6O/c19-13-9-20-18(21-15(10-26)11-4-2-1-3-5-11)23-17(13)22-16-8-14(24-25-16)12-6-7-12/h1-5,8-9,12,15,26H,6-7,10H2,(H3,20,21,22,23,24,25)/t15-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.90E+3n/an/an/an/a7.422



AstraZeneca



Assay Description
TrkA kinase activity was determined by measuring the kinase ability to phosphorylate synthetic tyrosine residues within a generic polypeptide substra...


J Med Chem 51: 4672-84 (2008)


Article DOI: 10.1021/jm800343j
BindingDB Entry DOI: 10.7270/Q2RN365V
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50392788
PNG
(CHEMBL457614)
Show SMILES CC(C)Oc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cn3)ncc2Cl)[nH]n1 |r|
Show InChI InChI=1S/C17H19ClFN7O/c1-9(2)27-15-6-14(25-26-15)23-16-12(18)8-21-17(24-16)22-10(3)13-5-4-11(19)7-20-13/h4-10H,1-3H3,(H3,21,22,23,24,25,26)/t10-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 5.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human ERG


ACS Med Chem Lett 3: 705-709 (2012)


Article DOI: 10.1021/ml300074j
BindingDB Entry DOI: 10.7270/Q2GH9K2G
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50392794
PNG
(CHEMBL2151324)
Show SMILES CC(C)Oc1cc(Nc2nc3n(cnc3cc2F)[C@@H](CO)c2ccc(F)cn2)[nH]n1 |r|
Show InChI InChI=1S/C19H19F2N7O2/c1-10(2)30-17-6-16(26-27-17)24-18-12(21)5-14-19(25-18)28(9-23-14)15(8-29)13-4-3-11(20)7-22-13/h3-7,9-10,15,29H,8H2,1-2H3,(H2,24,25,26,27)/t15-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.50E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human ERG


ACS Med Chem Lett 3: 705-709 (2012)


Article DOI: 10.1021/ml300074j
BindingDB Entry DOI: 10.7270/Q2GH9K2G
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50392796
PNG
(CHEMBL2151326)
Show SMILES COc1cc(Nc2nc3n(cnc3cc2F)[C@@H](CO)c2ccc(F)cn2)[nH]n1 |r|
Show InChI InChI=1S/C17H15F2N7O2/c1-28-15-5-14(24-25-15)22-16-10(19)4-12-17(23-16)26(8-21-12)13(7-27)11-3-2-9(18)6-20-11/h2-6,8,13,27H,7H2,1H3,(H2,22,23,24,25)/t13-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>3.20E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human ERG


ACS Med Chem Lett 3: 705-709 (2012)


Article DOI: 10.1021/ml300074j
BindingDB Entry DOI: 10.7270/Q2GH9K2G
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50392790
PNG
(CHEMBL2151320 | US8486966, 16)
Show SMILES C[C@H](Nc1ccc2ncn(-c3cc(C)[nH]n3)c2n1)c1ncc(F)cn1 |r|
Show InChI InChI=1S/C16H15FN8/c1-9-5-14(24-23-9)25-8-20-12-3-4-13(22-16(12)25)21-10(2)15-18-6-11(17)7-19-15/h3-8,10H,1-2H3,(H,21,22)(H,23,24)/t10-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>3.20E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human ERG


ACS Med Chem Lett 3: 705-709 (2012)


Article DOI: 10.1021/ml300074j
BindingDB Entry DOI: 10.7270/Q2GH9K2G
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50392791
PNG
(CHEMBL2151321 | US8486966, 1)
Show SMILES CC(C)Oc1cc(n[nH]1)-n1cnc2ccc(N[C@@H](C)c3ccc(F)cn3)nc12 |r|
Show InChI InChI=1S/C19H20FN7O/c1-11(2)28-18-8-17(25-26-18)27-10-22-15-6-7-16(24-19(15)27)23-12(3)14-5-4-13(20)9-21-14/h4-12H,1-3H3,(H,23,24)(H,25,26)/t12-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>3.20E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human ERG


ACS Med Chem Lett 3: 705-709 (2012)


Article DOI: 10.1021/ml300074j
BindingDB Entry DOI: 10.7270/Q2GH9K2G
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50392793
PNG
(CHEMBL2151323 | US8486966, 12)
Show SMILES CC(C)Oc1cc(n[nH]1)-n1cnc2cnc(N[C@@H](C)c3ncc(F)cn3)nc12 |r|
Show InChI InChI=1S/C17H18FN9O/c1-9(2)28-14-4-13(25-26-14)27-8-22-12-7-21-17(24-16(12)27)23-10(3)15-19-5-11(18)6-20-15/h4-10H,1-3H3,(H,25,26)(H,21,23,24)/t10-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>3.20E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human ERG


ACS Med Chem Lett 3: 705-709 (2012)


Article DOI: 10.1021/ml300074j
BindingDB Entry DOI: 10.7270/Q2GH9K2G
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50392795
PNG
(CHEMBL2151325)
Show SMILES CCOc1cc(Nc2nc3n(cnc3cc2F)[C@@H](CO)c2ccc(F)cn2)[nH]n1 |r|
Show InChI InChI=1S/C18H17F2N7O2/c1-2-29-16-6-15(25-26-16)23-17-11(20)5-13-18(24-17)27(9-22-13)14(8-28)12-4-3-10(19)7-21-12/h3-7,9,14,28H,2,8H2,1H3,(H2,23,24,25,26)/t14-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.20E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human ERG


ACS Med Chem Lett 3: 705-709 (2012)


Article DOI: 10.1021/ml300074j
BindingDB Entry DOI: 10.7270/Q2GH9K2G
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50392789
PNG
(CHEMBL2151319 | US8486966, 3)
Show SMILES C[C@H](Nc1ccc2ncn(-c3cc([nH]n3)C3CC3)c2n1)c1ncc(F)cn1 |r|
Show InChI InChI=1S/C18H17FN8/c1-10(17-20-7-12(19)8-21-17)23-15-5-4-13-18(24-15)27(9-22-13)16-6-14(25-26-16)11-2-3-11/h4-11H,2-3H2,1H3,(H,23,24)(H,25,26)/t10-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>3.20E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human ERG


ACS Med Chem Lett 3: 705-709 (2012)


Article DOI: 10.1021/ml300074j
BindingDB Entry DOI: 10.7270/Q2GH9K2G
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50392792
PNG
(CHEMBL2151322 | US8486966, 7)
Show SMILES CC(C)Oc1cc(n[nH]1)-n1cnc2ccc(N[C@@H](CO)c3ccc(F)cn3)nc12 |r|
Show InChI InChI=1S/C19H20FN7O2/c1-11(2)29-18-7-17(25-26-18)27-10-22-14-5-6-16(24-19(14)27)23-15(9-28)13-4-3-12(20)8-21-13/h3-8,10-11,15,28H,9H2,1-2H3,(H,23,24)(H,25,26)/t15-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.20E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human ERG


ACS Med Chem Lett 3: 705-709 (2012)


Article DOI: 10.1021/ml300074j
BindingDB Entry DOI: 10.7270/Q2GH9K2G
More data for this
Ligand-Target Pair