BindingDB logo
myBDB logout

PubMed code 22014550

Compile Data Set for Download or QSAR

Found 337 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
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50359351
PNG
(CHEMBL1929230)
Show SMILES CC(C)(C)c1cc(C(=O)N2CCNC(=O)CC2)c(NC(=O)Nc2ccc(F)c(Cl)c2Cl)s1
Show InChI InChI=1S/C21H23Cl2FN4O3S/c1-21(2,3)14-10-11(19(30)28-8-6-15(29)25-7-9-28)18(32-14)27-20(31)26-13-5-4-12(24)16(22)17(13)23/h4-5,10H,6-9H2,1-3H3,(H,25,29)(H2,26,27,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Ansaris

Curated by ChEMBL


Assay Description
Inhibition of p38alpha assessed as [33P]gamma-ATP incorporation into GST-ATF2 substrate preincubated for 20 mins before substrate addition measured a...


Bioorg Med Chem Lett 21: 7155-65 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.078
BindingDB Entry DOI: 10.7270/Q2NC61NH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50359344
PNG
(CHEMBL1929224)
Show SMILES CC(C)(C)c1cc(C(=O)N2CCNC(=O)CC2)c(NC(=O)Nc2ccc(C#N)c3ccccc23)s1
Show InChI InChI=1S/C26H27N5O3S/c1-26(2,3)21-14-19(24(33)31-12-10-22(32)28-11-13-31)23(35-21)30-25(34)29-20-9-8-16(15-27)17-6-4-5-7-18(17)20/h4-9,14H,10-13H2,1-3H3,(H,28,32)(H2,29,30,34)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Ansaris

Curated by ChEMBL


Assay Description
Inhibition of p38alpha assessed as [33P]gamma-ATP incorporation into GST-ATF2 substrate preincubated for 20 mins before substrate addition measured a...


Bioorg Med Chem Lett 21: 7155-65 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.078
BindingDB Entry DOI: 10.7270/Q2NC61NH
More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (Human))
BDBM13533
PNG
(1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 7n/an/an/an/an/an/a



Ansaris

Curated by ChEMBL


Assay Description
Inhibition of P38beta2


Bioorg Med Chem Lett 21: 7155-65 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.078
BindingDB Entry DOI: 10.7270/Q2NC61NH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM13533
PNG
(1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Ansaris

Curated by ChEMBL


Assay Description
Inhibition of JNK2alpha2


Bioorg Med Chem Lett 21: 7155-65 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.078
BindingDB Entry DOI: 10.7270/Q2NC61NH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50359346
PNG
(CHEMBL1926710)
Show SMILES CC(C)(C)c1cc(C(=O)N2CCNC(=O)CC2)c(NC(=O)Nc2cccc(Cl)c2Cl)s1
Show InChI InChI=1S/C21H24Cl2N4O3S/c1-21(2,3)15-11-12(19(29)27-9-7-16(28)24-8-10-27)18(31-15)26-20(30)25-14-6-4-5-13(22)17(14)23/h4-6,11H,7-10H2,1-3H3,(H,24,28)(H2,25,26,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Ansaris

Curated by ChEMBL


Assay Description
Inhibition of p38alpha assessed as [33P]gamma-ATP incorporation into GST-ATF2 substrate preincubated for 20 mins before substrate addition measured a...


Bioorg Med Chem Lett 21: 7155-65 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.078
BindingDB Entry DOI: 10.7270/Q2NC61NH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50359336
PNG
(CHEMBL1929216)
Show SMILES CC(C)(C)c1cc(C(=O)N2CCNC(=O)CC2)c(NC(=O)Nc2ccc3ccccc3c2)s1
Show InChI InChI=1S/C25H28N4O3S/c1-25(2,3)20-15-19(23(31)29-12-10-21(30)26-11-13-29)22(33-20)28-24(32)27-18-9-8-16-6-4-5-7-17(16)14-18/h4-9,14-15H,10-13H2,1-3H3,(H,26,30)(H2,27,28,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Ansaris

Curated by ChEMBL


Assay Description
Inhibition of p38alpha assessed as [33P]gamma-ATP incorporation into GST-ATF2 substrate preincubated for 20 mins before substrate addition measured a...


Bioorg Med Chem Lett 21: 7155-65 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.078
BindingDB Entry DOI: 10.7270/Q2NC61NH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50359342
PNG
(CHEMBL1929222)
Show SMILES CC(C)(C)c1cc(C(=O)N2CCNC(=O)C2)c(NC(=O)Nc2ccc3ccccc3c2)s1
Show InChI InChI=1S/C24H26N4O3S/c1-24(2,3)19-13-18(22(30)28-11-10-25-20(29)14-28)21(32-19)27-23(31)26-17-9-8-15-6-4-5-7-16(15)12-17/h4-9,12-13H,10-11,14H2,1-3H3,(H,25,29)(H2,26,27,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Ansaris

Curated by ChEMBL


Assay Description
Inhibition of p38alpha assessed as [33P]gamma-ATP incorporation into GST-ATF2 substrate preincubated for 20 mins before substrate addition measured a...


Bioorg Med Chem Lett 21: 7155-65 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.078
BindingDB Entry DOI: 10.7270/Q2NC61NH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50359347
PNG
(CHEMBL1929226)
Show SMILES CC(C)(C)c1cc(C(=O)N2CCNC(=O)CC2)c(NC(=O)Nc2ccc(Cl)c(Cl)c2)s1
Show InChI InChI=1S/C21H24Cl2N4O3S/c1-21(2,3)16-11-13(19(29)27-8-6-17(28)24-7-9-27)18(31-16)26-20(30)25-12-4-5-14(22)15(23)10-12/h4-5,10-11H,6-9H2,1-3H3,(H,24,28)(H2,25,26,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Ansaris

Curated by ChEMBL


Assay Description
Inhibition of p38alpha assessed as [33P]gamma-ATP incorporation into GST-ATF2 substrate preincubated for 20 mins before substrate addition measured a...


Bioorg Med Chem Lett 21: 7155-65 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.078
BindingDB Entry DOI: 10.7270/Q2NC61NH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50359354
PNG
(CHEMBL1929233)
Show SMILES CC(C)(C)c1cc(C(=O)N2CCN(CC(N)=O)C(=O)CC2)c(NC(=O)Nc2cccc(Cl)c2Cl)s1
Show InChI InChI=1S/C23H27Cl2N5O4S/c1-23(2,3)16-11-13(21(33)29-8-7-18(32)30(10-9-29)12-17(26)31)20(35-16)28-22(34)27-15-6-4-5-14(24)19(15)25/h4-6,11H,7-10,12H2,1-3H3,(H2,26,31)(H2,27,28,34)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Ansaris

Curated by ChEMBL


Assay Description
Inhibition of p38alpha assessed as [33P]gamma-ATP incorporation into GST-ATF2 substrate preincubated for 20 mins before substrate addition measured a...


Bioorg Med Chem Lett 21: 7155-65 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.078
BindingDB Entry DOI: 10.7270/Q2NC61NH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50359352
PNG
(CHEMBL1929231)
Show SMILES COCCOCCN1CCN(CCC1=O)C(=O)c1cc(sc1NC(=O)Nc1cccc(Cl)c1Cl)C(C)(C)C
Show InChI InChI=1S/C26H34Cl2N4O5S/c1-26(2,3)20-16-17(23(38-20)30-25(35)29-19-7-5-6-18(27)22(19)28)24(34)32-9-8-21(33)31(10-11-32)12-13-37-15-14-36-4/h5-7,16H,8-15H2,1-4H3,(H2,29,30,35)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 14n/an/an/an/an/an/a



Ansaris

Curated by ChEMBL


Assay Description
Inhibition of p38alpha assessed as [33P]gamma-ATP incorporation into GST-ATF2 substrate preincubated for 20 mins before substrate addition measured a...


Bioorg Med Chem Lett 21: 7155-65 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.078
BindingDB Entry DOI: 10.7270/Q2NC61NH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50359339
PNG
(CHEMBL1929219)
Show SMILES CC(C)(C)c1cc(C(=O)N2CCNS(=O)(=O)CC2)c(NC(=O)Nc2ccc3ccccc3c2)s1
Show InChI InChI=1S/C24H28N4O4S2/c1-24(2,3)20-15-19(22(29)28-11-10-25-34(31,32)13-12-28)21(33-20)27-23(30)26-18-9-8-16-6-4-5-7-17(16)14-18/h4-9,14-15,25H,10-13H2,1-3H3,(H2,26,27,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Ansaris

Curated by ChEMBL


Assay Description
Inhibition of p38alpha assessed as [33P]gamma-ATP incorporation into GST-ATF2 substrate preincubated for 20 mins before substrate addition measured a...


Bioorg Med Chem Lett 21: 7155-65 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.078
BindingDB Entry DOI: 10.7270/Q2NC61NH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50359361
PNG
(CHEMBL1929215)
Show SMILES CC(C)(C)c1cc(C(=O)N2CCNC(=O)CC2)c(NC(=O)Nc2cccc3ccccc23)s1
Show InChI InChI=1S/C25H28N4O3S/c1-25(2,3)20-15-18(23(31)29-13-11-21(30)26-12-14-29)22(33-20)28-24(32)27-19-10-6-8-16-7-4-5-9-17(16)19/h4-10,15H,11-14H2,1-3H3,(H,26,30)(H2,27,28,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Ansaris

Curated by ChEMBL


Assay Description
Inhibition of p38alpha assessed as [33P]gamma-ATP incorporation into GST-ATF2 substrate preincubated for 20 mins before substrate addition measured a...


Bioorg Med Chem Lett 21: 7155-65 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.078
BindingDB Entry DOI: 10.7270/Q2NC61NH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50359356
PNG
(CHEMBL1929235)
Show SMILES CC(C)(C)c1cc(C(=O)N2CCN(CCC(N)=O)C(=O)CC2)c(NC(=O)Nc2cccc(Cl)c2Cl)s1
Show InChI InChI=1S/C24H29Cl2N5O4S/c1-24(2,3)17-13-14(21(36-17)29-23(35)28-16-6-4-5-15(25)20(16)26)22(34)31-10-8-19(33)30(11-12-31)9-7-18(27)32/h4-6,13H,7-12H2,1-3H3,(H2,27,32)(H2,28,29,35)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 19n/an/an/an/an/an/a



Ansaris

Curated by ChEMBL


Assay Description
Inhibition of p38alpha assessed as [33P]gamma-ATP incorporation into GST-ATF2 substrate preincubated for 20 mins before substrate addition measured a...


Bioorg Med Chem Lett 21: 7155-65 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.078
BindingDB Entry DOI: 10.7270/Q2NC61NH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM13533
PNG
(1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

DrugBank
MMDB
PDB
Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Ansaris

Curated by ChEMBL


Assay Description
Inhibition of P38alpha


Bioorg Med Chem Lett 21: 7155-65 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.078
BindingDB Entry DOI: 10.7270/Q2NC61NH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50359348
PNG
(CHEMBL1929227)
Show SMILES CC(C)(C)c1cc(C(=O)N2CCNC(=O)CC2)c(NC(=O)Nc2ccc3OCOc3c2)s1
Show InChI InChI=1S/C22H26N4O5S/c1-22(2,3)17-11-14(20(28)26-8-6-18(27)23-7-9-26)19(32-17)25-21(29)24-13-4-5-15-16(10-13)31-12-30-15/h4-5,10-11H,6-9,12H2,1-3H3,(H,23,27)(H2,24,25,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 22n/an/an/an/an/an/a



Ansaris

Curated by ChEMBL


Assay Description
Inhibition of p38alpha assessed as [33P]gamma-ATP incorporation into GST-ATF2 substrate preincubated for 20 mins before substrate addition measured a...


Bioorg Med Chem Lett 21: 7155-65 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.078
BindingDB Entry DOI: 10.7270/Q2NC61NH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50359359
PNG
(CHEMBL1929238)
Show SMILES CN(C)CCN1CCN(CCC1=O)C(=O)c1cc(sc1NC(=O)Nc1cccc(Cl)c1Cl)C(C)(C)C
Show InChI InChI=1S/C25H33Cl2N5O3S/c1-25(2,3)19-15-16(22(36-19)29-24(35)28-18-8-6-7-17(26)21(18)27)23(34)32-10-9-20(33)31(13-14-32)12-11-30(4)5/h6-8,15H,9-14H2,1-5H3,(H2,28,29,35)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 22n/an/an/an/an/an/a



Ansaris

Curated by ChEMBL


Assay Description
Inhibition of P38alpha


Bioorg Med Chem Lett 21: 7155-65 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.078
BindingDB Entry DOI: 10.7270/Q2NC61NH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50359359
PNG
(CHEMBL1929238)
Show SMILES CN(C)CCN1CCN(CCC1=O)C(=O)c1cc(sc1NC(=O)Nc1cccc(Cl)c1Cl)C(C)(C)C
Show InChI InChI=1S/C25H33Cl2N5O3S/c1-25(2,3)19-15-16(22(36-19)29-24(35)28-18-8-6-7-17(26)21(18)27)23(34)32-10-9-20(33)31(13-14-32)12-11-30(4)5/h6-8,15H,9-14H2,1-5H3,(H2,28,29,35)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 22n/an/an/an/an/an/a



Ansaris

Curated by ChEMBL


Assay Description
Inhibition of p38alpha assessed as [33P]gamma-ATP incorporation into GST-ATF2 substrate preincubated for 20 mins before substrate addition measured a...


Bioorg Med Chem Lett 21: 7155-65 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.078
BindingDB Entry DOI: 10.7270/Q2NC61NH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM13533
PNG
(1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 25n/an/an/an/an/an/a



Ansaris

Curated by ChEMBL


Assay Description
Inhibition of TIE2


Bioorg Med Chem Lett 21: 7155-65 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.078
BindingDB Entry DOI: 10.7270/Q2NC61NH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50359341
PNG
(CHEMBL1929221)
Show SMILES CC(C)(C)c1cc(C(=O)N2CCNC(=O)C2)c(NC(=O)Nc2cccc3ccccc23)s1
Show InChI InChI=1S/C24H26N4O3S/c1-24(2,3)19-13-17(22(30)28-12-11-25-20(29)14-28)21(32-19)27-23(31)26-18-10-6-8-15-7-4-5-9-16(15)18/h4-10,13H,11-12,14H2,1-3H3,(H,25,29)(H2,26,27,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 25n/an/an/an/an/an/a



Ansaris

Curated by ChEMBL


Assay Description
Inhibition of p38alpha assessed as [33P]gamma-ATP incorporation into GST-ATF2 substrate preincubated for 20 mins before substrate addition measured a...


Bioorg Med Chem Lett 21: 7155-65 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.078
BindingDB Entry DOI: 10.7270/Q2NC61NH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50359357
PNG
(CHEMBL1929236)
Show SMILES CC(C)(C)c1cc(C(=O)N2CCN(Cc3nnn[nH]3)C(=O)CC2)c(NC(=O)Nc2cccc(Cl)c2Cl)s1
Show InChI InChI=1S/C23H26Cl2N8O3S/c1-23(2,3)16-11-13(20(37-16)27-22(36)26-15-6-4-5-14(24)19(15)25)21(35)32-8-7-18(34)33(10-9-32)12-17-28-30-31-29-17/h4-6,11H,7-10,12H2,1-3H3,(H2,26,27,36)(H,28,29,30,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 29n/an/an/an/an/an/a



Ansaris

Curated by ChEMBL


Assay Description
Inhibition of p38alpha assessed as [33P]gamma-ATP incorporation into GST-ATF2 substrate preincubated for 20 mins before substrate addition measured a...


Bioorg Med Chem Lett 21: 7155-65 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.078
BindingDB Entry DOI: 10.7270/Q2NC61NH
More data for this
Ligand-Target Pair
p38 delta/gamma


(Homo sapiens (Human))
BDBM13533
PNG
(1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Ansaris

Curated by ChEMBL


Assay Description
Inhibition of P38gamma


Bioorg Med Chem Lett 21: 7155-65 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.078
BindingDB Entry DOI: 10.7270/Q2NC61NH
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM13533
PNG
(1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Ansaris

Curated by ChEMBL


Assay Description
Inhibition of RET


Bioorg Med Chem Lett 21: 7155-65 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.078
BindingDB Entry DOI: 10.7270/Q2NC61NH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50359337
PNG
(CHEMBL1929217)
Show SMILES CC(C)(C)c1cc(C(=O)N2CCNC(=O)CC2)c(NC(=O)Nc2ccc(Cl)cc2)s1
Show InChI InChI=1S/C21H25ClN4O3S/c1-21(2,3)16-12-15(19(28)26-10-8-17(27)23-9-11-26)18(30-16)25-20(29)24-14-6-4-13(22)5-7-14/h4-7,12H,8-11H2,1-3H3,(H,23,27)(H2,24,25,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Ansaris

Curated by ChEMBL


Assay Description
Inhibition of p38alpha assessed as [33P]gamma-ATP incorporation into GST-ATF2 substrate preincubated for 20 mins before substrate addition measured a...


Bioorg Med Chem Lett 21: 7155-65 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.078
BindingDB Entry DOI: 10.7270/Q2NC61NH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50359355
PNG
(CHEMBL1929234)
Show SMILES CC(C)(C)c1cc(C(=O)N2CCN(CC3COC(C)(C)O3)C(=O)CC2)c(NC(=O)Nc2cccc(Cl)c2Cl)s1
Show InChI InChI=1S/C27H34Cl2N4O5S/c1-26(2,3)20-13-17(23(39-20)31-25(36)30-19-8-6-7-18(28)22(19)29)24(35)32-10-9-21(34)33(12-11-32)14-16-15-37-27(4,5)38-16/h6-8,13,16H,9-12,14-15H2,1-5H3,(H2,30,31,36)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 31n/an/an/an/an/an/a



Ansaris

Curated by ChEMBL


Assay Description
Inhibition of p38alpha assessed as [33P]gamma-ATP incorporation into GST-ATF2 substrate preincubated for 20 mins before substrate addition measured a...


Bioorg Med Chem Lett 21: 7155-65 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.078
BindingDB Entry DOI: 10.7270/Q2NC61NH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50359358
PNG
(CHEMBL1929237)
Show SMILES CN1CCN(CCC1=O)C(=O)c1cc(sc1NC(=O)Nc1cccc(Cl)c1Cl)C(C)(C)C
Show InChI InChI=1S/C22H26Cl2N4O3S/c1-22(2,3)16-12-13(20(30)28-9-8-17(29)27(4)10-11-28)19(32-16)26-21(31)25-15-7-5-6-14(23)18(15)24/h5-7,12H,8-11H2,1-4H3,(H2,25,26,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 39n/an/an/an/an/an/a



Ansaris

Curated by ChEMBL


Assay Description
Inhibition of p38alpha assessed as [33P]gamma-ATP incorporation into GST-ATF2 substrate preincubated for 20 mins before substrate addition measured a...


Bioorg Med Chem Lett 21: 7155-65 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.078
BindingDB Entry DOI: 10.7270/Q2NC61NH
More data for this
Ligand-Target Pair
Misshapen-like kinase 1


(Homo sapiens (Human))
BDBM13533
PNG
(1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 40n/an/an/an/an/an/a



Ansaris

Curated by ChEMBL


Assay Description
Inhibition of MINK


Bioorg Med Chem Lett 21: 7155-65 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.078
BindingDB Entry DOI: 10.7270/Q2NC61NH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50359345
PNG
(CHEMBL1929225)
Show SMILES CC(C)(C)c1cc(C(=O)N2CCNC(=O)CC2)c(NC(=O)Nc2cccc(Cl)c2)s1
Show InChI InChI=1S/C21H25ClN4O3S/c1-21(2,3)16-12-15(19(28)26-9-7-17(27)23-8-10-26)18(30-16)25-20(29)24-14-6-4-5-13(22)11-14/h4-6,11-12H,7-10H2,1-3H3,(H,23,27)(H2,24,25,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 42n/an/an/an/an/an/a



Ansaris

Curated by ChEMBL


Assay Description
Inhibition of p38alpha assessed as [33P]gamma-ATP incorporation into GST-ATF2 substrate preincubated for 20 mins before substrate addition measured a...


Bioorg Med Chem Lett 21: 7155-65 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.078
BindingDB Entry DOI: 10.7270/Q2NC61NH
More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (Human))
BDBM50359359
PNG
(CHEMBL1929238)
Show SMILES CN(C)CCN1CCN(CCC1=O)C(=O)c1cc(sc1NC(=O)Nc1cccc(Cl)c1Cl)C(C)(C)C
Show InChI InChI=1S/C25H33Cl2N5O3S/c1-25(2,3)19-15-16(22(36-19)29-24(35)28-18-8-6-7-17(26)21(18)27)23(34)32-10-9-20(33)31(13-14-32)12-11-30(4)5/h6-8,15H,9-14H2,1-5H3,(H2,28,29,35)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 50n/an/an/an/an/an/a



Ansaris

Curated by ChEMBL


Assay Description
Inhibition of P38beta2


Bioorg Med Chem Lett 21: 7155-65 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.078
BindingDB Entry DOI: 10.7270/Q2NC61NH
More data for this
Ligand-Target Pair
BDNF/NT-3 growth factors receptor


(Homo sapiens (Human))
BDBM13533
PNG
(1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 50n/an/an/an/an/an/a



Ansaris

Curated by ChEMBL


Assay Description
Inhibition of TRKB


Bioorg Med Chem Lett 21: 7155-65 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.078
BindingDB Entry DOI: 10.7270/Q2NC61NH
More data for this
Ligand-Target Pair
Discoidin domain-containing receptor 2


(Homo sapiens (Human))
BDBM13533
PNG
(1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 60n/an/an/an/an/an/a



Ansaris

Curated by ChEMBL


Assay Description
Inhibition of DDR2


Bioorg Med Chem Lett 21: 7155-65 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.078
BindingDB Entry DOI: 10.7270/Q2NC61NH
More data for this
Ligand-Target Pair
Ephrin receptor


(Homo sapiens (Human))
BDBM13533
PNG
(1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 70n/an/an/an/an/an/a



Ansaris

Curated by ChEMBL


Assay Description
Inhibition of EPHA4


Bioorg Med Chem Lett 21: 7155-65 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.078
BindingDB Entry DOI: 10.7270/Q2NC61NH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50359360
PNG
(CHEMBL1929239)
Show SMILES CN(C)CCN1CCN(CCC1=O)C(=O)c1cc(sc1NC(=O)Nc1ccc(F)c(Cl)c1Cl)C(C)(C)C
Show InChI InChI=1S/C25H32Cl2FN5O3S/c1-25(2,3)18-14-15(23(35)33-9-8-19(34)32(12-13-33)11-10-31(4)5)22(37-18)30-24(36)29-17-7-6-16(28)20(26)21(17)27/h6-7,14H,8-13H2,1-5H3,(H2,29,30,36)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 73n/an/an/an/an/an/a



Ansaris

Curated by ChEMBL


Assay Description
Inhibition of p38alpha assessed as [33P]gamma-ATP incorporation into GST-ATF2 substrate preincubated for 20 mins before substrate addition measured a...


Bioorg Med Chem Lett 21: 7155-65 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.078
BindingDB Entry DOI: 10.7270/Q2NC61NH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50359316
PNG
(CHEMBL1929195)
Show SMILES CC(C)(C)c1cc(C(=O)N2CCS(=O)(=O)CC2)c(NC(=O)Nc2cccc3ccccc23)s1
Show InChI InChI=1S/C24H27N3O4S2/c1-24(2,3)20-15-18(22(28)27-11-13-33(30,31)14-12-27)21(32-20)26-23(29)25-19-10-6-8-16-7-4-5-9-17(16)19/h4-10,15H,11-14H2,1-3H3,(H2,25,26,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 76n/an/an/an/an/an/a



Ansaris

Curated by ChEMBL


Assay Description
Inhibition of p38alpha assessed as [33P]gamma-ATP incorporation into GST-ATF2 substrate preincubated for 20 mins before substrate addition measured a...


Bioorg Med Chem Lett 21: 7155-65 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.078
BindingDB Entry DOI: 10.7270/Q2NC61NH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50359349
PNG
(CHEMBL1929228)
Show SMILES Cc1cccc(NC(=O)Nc2sc(cc2C(=O)N2CCNC(=O)CC2)C(C)(C)C)c1
Show InChI InChI=1S/C22H28N4O3S/c1-14-6-5-7-15(12-14)24-21(29)25-19-16(13-17(30-19)22(2,3)4)20(28)26-10-8-18(27)23-9-11-26/h5-7,12-13H,8-11H2,1-4H3,(H,23,27)(H2,24,25,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 80n/an/an/an/an/an/a



Ansaris

Curated by ChEMBL


Assay Description
Inhibition of p38alpha assessed as [33P]gamma-ATP incorporation into GST-ATF2 substrate preincubated for 20 mins before substrate addition measured a...


Bioorg Med Chem Lett 21: 7155-65 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.078
BindingDB Entry DOI: 10.7270/Q2NC61NH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50359340
PNG
(CHEMBL1929220)
Show SMILES CC(C)(C)c1cc(C(=O)N2CCNS(=O)(=O)CC2)c(NC(=O)Nc2ccc(Cl)cc2)s1
Show InChI InChI=1S/C20H25ClN4O4S2/c1-20(2,3)16-12-15(18(26)25-9-8-22-31(28,29)11-10-25)17(30-16)24-19(27)23-14-6-4-13(21)5-7-14/h4-7,12,22H,8-11H2,1-3H3,(H2,23,24,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 83n/an/an/an/an/an/a



Ansaris

Curated by ChEMBL


Assay Description
Inhibition of p38alpha assessed as [33P]gamma-ATP incorporation into GST-ATF2 substrate preincubated for 20 mins before substrate addition measured a...


Bioorg Med Chem Lett 21: 7155-65 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.078
BindingDB Entry DOI: 10.7270/Q2NC61NH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50359343
PNG
(CHEMBL1929223)
Show SMILES CC(C)(C)c1cc(C(=O)N2CCNC(=O)C2)c(NC(=O)Nc2ccc(Cl)cc2)s1
Show InChI InChI=1S/C20H23ClN4O3S/c1-20(2,3)15-10-14(18(27)25-9-8-22-16(26)11-25)17(29-15)24-19(28)23-13-6-4-12(21)5-7-13/h4-7,10H,8-9,11H2,1-3H3,(H,22,26)(H2,23,24,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 86n/an/an/an/an/an/a



Ansaris

Curated by ChEMBL


Assay Description
Inhibition of p38alpha assessed as [33P]gamma-ATP incorporation into GST-ATF2 substrate preincubated for 20 mins before substrate addition measured a...


Bioorg Med Chem Lett 21: 7155-65 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.078
BindingDB Entry DOI: 10.7270/Q2NC61NH
More data for this
Ligand-Target Pair
Ephrin receptor


(Homo sapiens (Human))
BDBM13533
PNG
(1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 90n/an/an/an/an/an/a



Ansaris

Curated by ChEMBL


Assay Description
Inhibition of EPHA5


Bioorg Med Chem Lett 21: 7155-65 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.078
BindingDB Entry DOI: 10.7270/Q2NC61NH
More data for this
Ligand-Target Pair
EPHB1


(Homo sapiens (Human))
BDBM13533
PNG
(1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 110n/an/an/an/an/an/a



Ansaris

Curated by ChEMBL


Assay Description
Inhibition of EPHB1


Bioorg Med Chem Lett 21: 7155-65 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.078
BindingDB Entry DOI: 10.7270/Q2NC61NH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50359338
PNG
(CHEMBL1929218)
Show SMILES CC(C)(C)c1cc(C(=O)N2CCNS(=O)(=O)CC2)c(NC(=O)Nc2cccc3ccccc23)s1
Show InChI InChI=1S/C24H28N4O4S2/c1-24(2,3)20-15-18(22(29)28-12-11-25-34(31,32)14-13-28)21(33-20)27-23(30)26-19-10-6-8-16-7-4-5-9-17(16)19/h4-10,15,25H,11-14H2,1-3H3,(H2,26,27,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 110n/an/an/an/an/an/a



Ansaris

Curated by ChEMBL


Assay Description
Inhibition of p38alpha assessed as [33P]gamma-ATP incorporation into GST-ATF2 substrate preincubated for 20 mins before substrate addition measured a...


Bioorg Med Chem Lett 21: 7155-65 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.078
BindingDB Entry DOI: 10.7270/Q2NC61NH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50359317
PNG
(CHEMBL1929196)
Show SMILES CC(C)(C)c1cc(C(=O)N2CCS(=O)(=O)CC2)c(NC(=O)Nc2ccc3ccccc3c2)s1
Show InChI InChI=1S/C24H27N3O4S2/c1-24(2,3)20-15-19(22(28)27-10-12-33(30,31)13-11-27)21(32-20)26-23(29)25-18-9-8-16-6-4-5-7-17(16)14-18/h4-9,14-15H,10-13H2,1-3H3,(H2,25,26,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 110n/an/an/an/an/an/a



Ansaris

Curated by ChEMBL


Assay Description
Inhibition of p38alpha assessed as [33P]gamma-ATP incorporation into GST-ATF2 substrate preincubated for 20 mins before substrate addition measured a...


Bioorg Med Chem Lett 21: 7155-65 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.078
BindingDB Entry DOI: 10.7270/Q2NC61NH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50359323
PNG
(CHEMBL1929202)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc3ccccc3c2)c(s1)C(=O)N1CCS(=O)(=O)CC1
Show InChI InChI=1S/C24H27N3O4S2/c1-24(2,3)20-15-19(21(32-20)22(28)27-10-12-33(30,31)13-11-27)26-23(29)25-18-9-8-16-6-4-5-7-17(16)14-18/h4-9,14-15H,10-13H2,1-3H3,(H2,25,26,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 120n/an/an/an/an/an/a



Ansaris

Curated by ChEMBL


Assay Description
Inhibition of p38alpha assessed as [33P]gamma-ATP incorporation into GST-ATF2 substrate preincubated for 20 mins before substrate addition measured a...


Bioorg Med Chem Lett 21: 7155-65 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.078
BindingDB Entry DOI: 10.7270/Q2NC61NH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50359350
PNG
(CHEMBL1929229)
Show SMILES CC(C)(C)c1cc(C(=O)N2CCNC(=O)CC2)c(NC(=O)Nc2ccc(cc2Cl)C#N)s1
Show InChI InChI=1S/C22H24ClN5O3S/c1-22(2,3)17-11-14(20(30)28-8-6-18(29)25-7-9-28)19(32-17)27-21(31)26-16-5-4-13(12-24)10-15(16)23/h4-5,10-11H,6-9H2,1-3H3,(H,25,29)(H2,26,27,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 130n/an/an/an/an/an/a



Ansaris

Curated by ChEMBL


Assay Description
Inhibition of p38alpha assessed as [33P]gamma-ATP incorporation into GST-ATF2 substrate preincubated for 20 mins before substrate addition measured a...


Bioorg Med Chem Lett 21: 7155-65 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.078
BindingDB Entry DOI: 10.7270/Q2NC61NH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50359322
PNG
(CHEMBL1929201)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2cccc3ccccc23)c(s1)C(=O)N1CCS(=O)(=O)CC1
Show InChI InChI=1S/C24H27N3O4S2/c1-24(2,3)20-15-19(21(32-20)22(28)27-11-13-33(30,31)14-12-27)26-23(29)25-18-10-6-8-16-7-4-5-9-17(16)18/h4-10,15H,11-14H2,1-3H3,(H2,25,26,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 130n/an/an/an/an/an/a



Ansaris

Curated by ChEMBL


Assay Description
Inhibition of p38alpha assessed as [33P]gamma-ATP incorporation into GST-ATF2 substrate preincubated for 20 mins before substrate addition measured a...


Bioorg Med Chem Lett 21: 7155-65 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.078
BindingDB Entry DOI: 10.7270/Q2NC61NH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50359353
PNG
(CHEMBL1929232)
Show SMILES COCCN1CCN(CCC1=O)C(=O)c1cc(sc1NC(=O)Nc1cccc(Cl)c1Cl)C(C)(C)C
Show InChI InChI=1S/C24H30Cl2N4O4S/c1-24(2,3)18-14-15(22(32)30-9-8-19(31)29(10-11-30)12-13-34-4)21(35-18)28-23(33)27-17-7-5-6-16(25)20(17)26/h5-7,14H,8-13H2,1-4H3,(H2,27,28,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 140n/an/an/an/an/an/a



Ansaris

Curated by ChEMBL


Assay Description
Inhibition of p38alpha assessed as [33P]gamma-ATP incorporation into GST-ATF2 substrate preincubated for 20 mins before substrate addition measured a...


Bioorg Med Chem Lett 21: 7155-65 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.078
BindingDB Entry DOI: 10.7270/Q2NC61NH
More data for this
Ligand-Target Pair
Ephrin receptor


(Homo sapiens (Human))
BDBM13533
PNG
(1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 160n/an/an/an/an/an/a



Ansaris

Curated by ChEMBL


Assay Description
Inhibition of EPHA2


Bioorg Med Chem Lett 21: 7155-65 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.078
BindingDB Entry DOI: 10.7270/Q2NC61NH
More data for this
Ligand-Target Pair
Ephrin receptor


(Homo sapiens (Human))
BDBM13533
PNG
(1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 160n/an/an/an/an/an/a



Ansaris

Curated by ChEMBL


Assay Description
Inhibition of EPHB2


Bioorg Med Chem Lett 21: 7155-65 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.078
BindingDB Entry DOI: 10.7270/Q2NC61NH
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM13533
PNG
(1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 160n/an/an/an/an/an/a



Ansaris

Curated by ChEMBL


Assay Description
Inhibition of TRKA


Bioorg Med Chem Lett 21: 7155-65 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.078
BindingDB Entry DOI: 10.7270/Q2NC61NH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50359319
PNG
(CHEMBL1929198)
Show SMILES CC(C)(C)c1cc(CN2CCS(=O)(=O)CC2)c(NC(=O)Nc2cccc3ccccc23)s1
Show InChI InChI=1S/C24H29N3O3S2/c1-24(2,3)21-15-18(16-27-11-13-32(29,30)14-12-27)22(31-21)26-23(28)25-20-10-6-8-17-7-4-5-9-19(17)20/h4-10,15H,11-14,16H2,1-3H3,(H2,25,26,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 220n/an/an/an/an/an/a



Ansaris

Curated by ChEMBL


Assay Description
Inhibition of p38alpha assessed as [33P]gamma-ATP incorporation into GST-ATF2 substrate preincubated for 20 mins before substrate addition measured a...


Bioorg Med Chem Lett 21: 7155-65 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.078
BindingDB Entry DOI: 10.7270/Q2NC61NH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50359324
PNG
(CHEMBL1929203)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Cl)cc2)c(s1)C(=O)N1CCS(=O)(=O)CC1
Show InChI InChI=1S/C20H24ClN3O4S2/c1-20(2,3)16-12-15(23-19(26)22-14-6-4-13(21)5-7-14)17(29-16)18(25)24-8-10-30(27,28)11-9-24/h4-7,12H,8-11H2,1-3H3,(H2,22,23,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 240n/an/an/an/an/an/a



Ansaris

Curated by ChEMBL


Assay Description
Inhibition of p38alpha assessed as [33P]gamma-ATP incorporation into GST-ATF2 substrate preincubated for 20 mins before substrate addition measured a...


Bioorg Med Chem Lett 21: 7155-65 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.078
BindingDB Entry DOI: 10.7270/Q2NC61NH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50359318
PNG
(CHEMBL1929197)
Show SMILES CC(C)(C)c1cc(C(=O)N2CCS(=O)(=O)CC2)c(NC(=O)Nc2ccc(Cl)cc2)s1
Show InChI InChI=1S/C20H24ClN3O4S2/c1-20(2,3)16-12-15(18(25)24-8-10-30(27,28)11-9-24)17(29-16)23-19(26)22-14-6-4-13(21)5-7-14/h4-7,12H,8-11H2,1-3H3,(H2,22,23,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 250n/an/an/an/an/an/a



Ansaris

Curated by ChEMBL


Assay Description
Inhibition of p38alpha assessed as [33P]gamma-ATP incorporation into GST-ATF2 substrate preincubated for 20 mins before substrate addition measured a...


Bioorg Med Chem Lett 21: 7155-65 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.078
BindingDB Entry DOI: 10.7270/Q2NC61NH
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 337 total )  |  Next  |  Last  >>
* indicates data uncertainty>20%