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

Found 261 hits with Last Name = 'kuhn' and Initial = 'c'   
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
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM50385150
PNG
(CHEMBL2035650)
Show SMILES FC(F)(F)CN1CCC(CC1)NC(=O)c1ccc(nc1)-c1ccccc1
Show InChI InChI=1S/C19H20F3N3O/c20-19(21,22)13-25-10-8-16(9-11-25)24-18(26)15-6-7-17(23-12-15)14-4-2-1-3-5-14/h1-7,12,16H,8-11,13H2,(H,24,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.200n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of HPGDS


Bioorg Med Chem Lett 22: 3795-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.004
BindingDB Entry DOI: 10.7270/Q28C9X82
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM84796
PNG
(PF-00215924)
Show SMILES Clc1ccc(cc1)-c1c[nH]c(n1)-c1cc2ccccc2cn1
Show InChI InChI=1S/C18H14ClN3/c19-15-7-5-12(6-8-15)17-11-21-18(22-17)16-9-13-3-1-2-4-14(13)10-20-16/h1-8,10-11,16,20H,9H2/q-1/t16-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.80n/an/an/an/a7.525



Pfizer Inc.



Assay Description
Inhibition of active p38a MAP kinase by inhibitors was determinedusing a p38a cascade activity assay. A 30-lL reaction mixture wasprepared containing...


Chem Biol Drug Des 74: 547-59 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00884.x
BindingDB Entry DOI: 10.7270/Q2930RPH
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM50385142
PNG
(CHEMBL2035651)
Show SMILES O=C(NCCN1CCOCC1)c1ccc(cc1)-c1nccc2ccccc12
Show InChI InChI=1S/C22H23N3O2/c26-22(24-11-12-25-13-15-27-16-14-25)19-7-5-18(6-8-19)21-20-4-2-1-3-17(20)9-10-23-21/h1-10H,11-16H2,(H,24,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 2.34n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HPGDS using PGH2 as substrate assessed as production of PGD2 preincubated for 10 mins prior substrate addition measur...


Bioorg Med Chem Lett 22: 3795-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.004
BindingDB Entry DOI: 10.7270/Q28C9X82
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM26514
PNG
(4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...)
Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
Show InChI InChI=1S/C27H37N7O2/c1-4-22-26(36)33(3)23-17-28-27(31-24(23)34(22)21-7-5-6-8-21)30-19-11-9-18(10-12-19)25(35)29-20-13-15-32(2)16-14-20/h9-12,17,20-22H,4-8,13-16H2,1-3H3,(H,29,35)(H,28,30,31)/t22-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5n/an/an/an/a7.522



Pfizer



Assay Description
Percent inhibition and IC50 values were determined with ATP concentrations at apparent Km using the Invitrogen SelectScreen Kinase Profiling Service ...


Chem Biol Drug Des 70: 540-6 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00594.x
BindingDB Entry DOI: 10.7270/Q2T151Z8
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50323438
PNG
(4-(3-(3-tert-butyl-5-(3-naphthalen-1-ylureido)-1H-...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2cccc3ccccc23)n(n1)-c1cccc(CNC(=O)CCC(O)=O)c1
Show InChI InChI=1S/C29H31N5O4/c1-29(2,3)24-17-25(32-28(38)31-23-13-7-10-20-9-4-5-12-22(20)23)34(33-24)21-11-6-8-19(16-21)18-30-26(35)14-15-27(36)37/h4-13,16-17H,14-15,18H2,1-3H3,(H,30,35)(H,36,37)(H2,31,32,38)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of unactive p38alpha


Bioorg Med Chem Lett 20: 4885-91 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.073
BindingDB Entry DOI: 10.7270/Q2Z31ZT2
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM84788
PNG
((9a) BIRB796)
Show SMILES Cc1ccc(cc1C(O)=O)C(=O)NC(C)(O)NCc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccccc1)C(C)(C)C
Show InChI InChI=1S/C32H35N6O5/c1-20-11-14-22(17-25(20)29(40)41)28(39)36-32(5,43)33-19-21-12-15-24(16-13-21)38-27(18-26(37-38)31(2,3)4)35-30(42)34-23-9-7-6-8-10-23/h6-18H,19H2,1-5H3,(H,40,41)(H2,34,35,42)(H2,33,36,39,43)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6n/an/an/an/a7.525



Pfizer Inc.



Assay Description
Binding of inhibitors to unactivated p38a that leads to decreasedphosphorylation of p38alpha by MKK6 was determined by measuringthe activated p38alph...


Chem Biol Drug Des 74: 547-59 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00884.x
BindingDB Entry DOI: 10.7270/Q2930RPH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50323438
PNG
(4-(3-(3-tert-butyl-5-(3-naphthalen-1-ylureido)-1H-...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2cccc3ccccc23)n(n1)-c1cccc(CNC(=O)CCC(O)=O)c1
Show InChI InChI=1S/C29H31N5O4/c1-29(2,3)24-17-25(32-28(38)31-23-13-7-10-20-9-4-5-12-22(20)23)34(33-24)21-11-6-8-19(16-21)18-30-26(35)14-15-27(36)37/h4-13,16-17H,14-15,18H2,1-3H3,(H,30,35)(H,36,37)(H2,31,32,38)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of active p38alpha


Bioorg Med Chem Lett 20: 4885-91 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.073
BindingDB Entry DOI: 10.7270/Q2Z31ZT2
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50323416
PNG
(2-acetamido-N-(3-(3-tert-butyl-5-(3-phenylureido)-...)
Show SMILES CC(=O)NCC(=O)NCc1cccc(c1)-n1nc(cc1NC(=O)Nc1ccccc1)C(C)(C)C
Show InChI InChI=1S/C25H30N6O3/c1-17(32)26-16-23(33)27-15-18-9-8-12-20(13-18)31-22(14-21(30-31)25(2,3)4)29-24(34)28-19-10-6-5-7-11-19/h5-14H,15-16H2,1-4H3,(H,26,32)(H,27,33)(H2,28,29,34)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of unactive p38alpha


Bioorg Med Chem Lett 20: 4885-91 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.073
BindingDB Entry DOI: 10.7270/Q2Z31ZT2
More data for this
Ligand-Target Pair
Polo-Like Kinase 3


(Homo sapiens (Human))
BDBM26514
PNG
(4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...)
Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
Show InChI InChI=1S/C27H37N7O2/c1-4-22-26(36)33(3)23-17-28-27(31-24(23)34(22)21-7-5-6-8-21)30-19-11-9-18(10-12-19)25(35)29-20-13-15-32(2)16-14-20/h9-12,17,20-22H,4-8,13-16H2,1-3H3,(H,29,35)(H,28,30,31)/t22-/m1/s1
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.70n/an/an/an/a7.522



Pfizer



Assay Description
Percent inhibition and IC50 values were determined with ATP concentrations at apparent Km using the Invitrogen SelectScreen Kinase Profiling Service ...


Chem Biol Drug Des 70: 540-6 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00594.x
BindingDB Entry DOI: 10.7270/Q2T151Z8
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM84786
PNG
((10a) BIRB796)
Show SMILES Cc1cc(ccc1C(O)=O)C(=O)NC(C)(O)NCc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccccc1)C(C)(C)C
Show InChI InChI=1S/C32H35N6O5/c1-20-17-22(13-16-25(20)29(40)41)28(39)36-32(5,43)33-19-21-11-14-24(15-12-21)38-27(18-26(37-38)31(2,3)4)35-30(42)34-23-9-7-6-8-10-23/h6-18H,19H2,1-5H3,(H,40,41)(H2,34,35,42)(H2,33,36,39,43)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7n/an/an/an/a7.525



Pfizer Inc.



Assay Description
Binding of inhibitors to unactivated p38a that leads to decreasedphosphorylation of p38alpha by MKK6 was determined by measuringthe activated p38alph...


Chem Biol Drug Des 74: 547-59 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00884.x
BindingDB Entry DOI: 10.7270/Q2930RPH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM84782
PNG
((5a) BIRB796)
Show SMILES CC(=O)c1cc(ccc1C)C(=O)NCc1ccc(cc1)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C
Show InChI InChI=1S/C35H35N5O3/c1-22-13-16-26(19-29(22)23(2)41)33(42)36-21-24-14-17-27(18-15-24)40-32(20-31(39-40)35(3,4)5)38-34(43)37-30-12-8-10-25-9-6-7-11-28(25)30/h6-20H,21H2,1-5H3,(H,36,42)(H2,37,38,43)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8n/an/an/an/a7.525



Pfizer Inc.



Assay Description
Binding of inhibitors to unactivated p38a that leads to decreasedphosphorylation of p38alpha by MKK6 was determined by measuringthe activated p38alph...


Chem Biol Drug Des 74: 547-59 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00884.x
BindingDB Entry DOI: 10.7270/Q2930RPH
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM25121
PNG
(4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...)
Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
Show InChI InChI=1S/C28H39N7O3/c1-5-22-27(37)34(3)23-17-29-28(32-25(23)35(22)20-8-6-7-9-20)31-21-11-10-18(16-24(21)38-4)26(36)30-19-12-14-33(2)15-13-19/h10-11,16-17,19-20,22H,5-9,12-15H2,1-4H3,(H,30,36)(H,29,31,32)/t22-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PDB
Article
PubMed
n/an/a 8n/an/an/an/a7.522



Pfizer



Assay Description
Percent inhibition and IC50 values were determined with ATP concentrations at apparent Km using the Invitrogen SelectScreen Kinase Profiling Service ...


Chem Biol Drug Des 70: 540-6 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00594.x
BindingDB Entry DOI: 10.7270/Q2T151Z8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM50385144
PNG
(CHEMBL2035653)
Show SMILES Cc1cc2ccccc2c(n1)-c1ccc(cc1)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C23H25N3O2/c1-17-16-20-4-2-3-5-21(20)22(25-17)18-6-8-19(9-7-18)23(27)24-10-11-26-12-14-28-15-13-26/h2-9,16H,10-15H2,1H3,(H,24,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 8.26n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HPGDS using PGH2 as substrate assessed as production of PGD2 preincubated for 10 mins prior substrate addition measur...


Bioorg Med Chem Lett 22: 3795-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.004
BindingDB Entry DOI: 10.7270/Q28C9X82
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM84791
PNG
((11a) BIRB796)
Show SMILES Cc1ccc(cc1C(O)=O)C(=O)NC(=O)NCc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccccc1)C(C)(C)C
Show InChI InChI=1S/C33H38N6O5/c1-21-12-15-23(18-26(21)30(41)42)29(40)37-33(5,6,44)34-20-22-13-16-25(17-14-22)39-28(19-27(38-39)32(2,3)4)36-31(43)35-24-10-8-7-9-11-24/h7-19H,20H2,1-6H3,(H,41,42)(H2,35,36,43)(H2,34,37,40,44)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 11n/an/an/an/a7.525



Pfizer Inc.



Assay Description
Binding of inhibitors to unactivated p38a that leads to decreasedphosphorylation of p38alpha by MKK6 was determined by measuringthe activated p38alph...


Chem Biol Drug Des 74: 547-59 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00884.x
BindingDB Entry DOI: 10.7270/Q2930RPH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM84784
PNG
((6a) BIRB796 | (8a) BIRB796)
Show SMILES Cc1cc(ccc1C(O)=O)C(=O)NCc1ccc(cc1)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C
Show InChI InChI=1S/C34H33N5O4/c1-21-18-24(14-17-26(21)32(41)42)31(40)35-20-22-12-15-25(16-13-22)39-30(19-29(38-39)34(2,3)4)37-33(43)36-28-11-7-9-23-8-5-6-10-27(23)28/h5-19H,20H2,1-4H3,(H,35,40)(H,41,42)(H2,36,37,43)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 11n/an/an/an/a7.525



Pfizer Inc.



Assay Description
Binding of inhibitors to unactivated p38a that leads to decreasedphosphorylation of p38alpha by MKK6 was determined by measuringthe activated p38alph...


Chem Biol Drug Des 74: 547-59 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00884.x
BindingDB Entry DOI: 10.7270/Q2930RPH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM84785
PNG
((7a) BIRB796)
Show SMILES Cc1ccc(cc1C(O)=O)C(=O)NCc1ccc(cc1)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C
Show InChI InChI=1S/C34H33N5O4/c1-21-12-15-24(18-27(21)32(41)42)31(40)35-20-22-13-16-25(17-14-22)39-30(19-29(38-39)34(2,3)4)37-33(43)36-28-11-7-9-23-8-5-6-10-26(23)28/h5-19H,20H2,1-4H3,(H,35,40)(H,41,42)(H2,36,37,43)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 11n/an/an/an/a7.525



Pfizer Inc.



Assay Description
Binding of inhibitors to unactivated p38a that leads to decreasedphosphorylation of p38alpha by MKK6 was determined by measuringthe activated p38alph...


Chem Biol Drug Des 74: 547-59 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00884.x
BindingDB Entry DOI: 10.7270/Q2930RPH
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK2


(Homo sapiens (Human))
BDBM26514
PNG
(4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...)
Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
Show InChI InChI=1S/C27H37N7O2/c1-4-22-26(36)33(3)23-17-28-27(31-24(23)34(22)21-7-5-6-8-21)30-19-11-9-18(10-12-19)25(35)29-20-13-15-32(2)16-14-20/h9-12,17,20-22H,4-8,13-16H2,1-3H3,(H,29,35)(H,28,30,31)/t22-/m1/s1
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 11.5n/an/an/an/a7.522



Pfizer



Assay Description
Percent inhibition and IC50 values were determined with ATP concentrations at apparent Km using the Invitrogen SelectScreen Kinase Profiling Service ...


Chem Biol Drug Des 70: 540-6 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00594.x
BindingDB Entry DOI: 10.7270/Q2T151Z8
More data for this
Ligand-Target Pair
Polo-Like Kinase 3


(Homo sapiens (Human))
BDBM25121
PNG
(4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...)
Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
Show InChI InChI=1S/C28H39N7O3/c1-5-22-27(37)34(3)23-17-29-28(32-25(23)35(22)20-8-6-7-9-20)31-21-11-10-18(16-24(21)38-4)26(36)30-19-12-14-33(2)15-13-19/h10-11,16-17,19-20,22H,5-9,12-15H2,1-4H3,(H,30,36)(H,29,31,32)/t22-/m1/s1
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/a 13.6n/an/an/an/a7.522



Pfizer



Assay Description
Percent inhibition and IC50 values were determined with ATP concentrations at apparent Km using the Invitrogen SelectScreen Kinase Profiling Service ...


Chem Biol Drug Des 70: 540-6 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00594.x
BindingDB Entry DOI: 10.7270/Q2T151Z8
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50323437
PNG
((1R)-6-(3-(3-tert-butyl-5-(3-phenylureido)-1H-pyra...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccccc2)n(n1)-c1cccc(CNC(=O)C2CC=CC[C@H]2C(O)=O)c1 |r,c:32|
Show InChI InChI=1S/C29H33N5O4/c1-29(2,3)24-17-25(32-28(38)31-20-11-5-4-6-12-20)34(33-24)21-13-9-10-19(16-21)18-30-26(35)22-14-7-8-15-23(22)27(36)37/h4-13,16-17,22-23H,14-15,18H2,1-3H3,(H,30,35)(H,36,37)(H2,31,32,38)/t22?,23-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 14n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of unactive p38alpha


Bioorg Med Chem Lett 20: 4885-91 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.073
BindingDB Entry DOI: 10.7270/Q2Z31ZT2
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50323427
PNG
(CHEMBL1209482 | N-(3-(3-tert-butyl-5-(3-phenylurei...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccccc2)n(n1)-c1cccc(CNC(=O)Cn2ccccc2=O)c1
Show InChI InChI=1S/C28H30N6O3/c1-28(2,3)23-17-24(31-27(37)30-21-11-5-4-6-12-21)34(32-23)22-13-9-10-20(16-22)18-29-25(35)19-33-15-8-7-14-26(33)36/h4-17H,18-19H2,1-3H3,(H,29,35)(H2,30,31,37)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 16n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of unactive p38alpha


Bioorg Med Chem Lett 20: 4885-91 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.073
BindingDB Entry DOI: 10.7270/Q2Z31ZT2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK2


(Homo sapiens (Human))
BDBM25121
PNG
(4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...)
Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
Show InChI InChI=1S/C28H39N7O3/c1-5-22-27(37)34(3)23-17-29-28(32-25(23)35(22)20-8-6-7-9-20)31-21-11-10-18(16-24(21)38-4)26(36)30-19-12-14-33(2)15-13-19/h10-11,16-17,19-20,22H,5-9,12-15H2,1-4H3,(H,30,36)(H,29,31,32)/t22-/m1/s1
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/a 16.8n/an/an/an/a7.522



Pfizer



Assay Description
Percent inhibition and IC50 values were determined with ATP concentrations at apparent Km using the Invitrogen SelectScreen Kinase Profiling Service ...


Chem Biol Drug Des 70: 540-6 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00594.x
BindingDB Entry DOI: 10.7270/Q2T151Z8
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50323420
PNG
(CHEMBL1209343 | N-(2-(3-(3-tert-butyl-5-(3-phenylu...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccccc2)n(n1)-c1cccc(CNC(=O)CNC(=O)c2ccco2)c1
Show InChI InChI=1S/C28H30N6O4/c1-28(2,3)23-16-24(32-27(37)31-20-10-5-4-6-11-20)34(33-23)21-12-7-9-19(15-21)17-29-25(35)18-30-26(36)22-13-8-14-38-22/h4-16H,17-18H2,1-3H3,(H,29,35)(H,30,36)(H2,31,32,37)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of unactive p38alpha


Bioorg Med Chem Lett 20: 4885-91 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.073
BindingDB Entry DOI: 10.7270/Q2Z31ZT2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase beta


(Homo sapiens (Human))
BDBM50005004
PNG
(CHEMBL2397309)
Show SMILES CO[C@H]1CC[C@H](CC1)C(=O)Nc1nc(C)c(s1)-c1ccc(N)nc1 |r,wU:5.8,2.1,(18.48,-29.12,;17.85,-27.71,;16.32,-27.55,;15.42,-28.8,;13.89,-28.64,;13.26,-27.23,;14.16,-25.98,;15.69,-26.14,;11.73,-27.08,;10.83,-28.32,;11.1,-25.67,;9.57,-25.52,;8.79,-24.19,;7.29,-24.51,;6.14,-23.48,;7.13,-26.04,;8.54,-26.66,;5.8,-26.81,;4.46,-26.05,;3.13,-26.82,;3.13,-28.36,;1.8,-29.13,;4.46,-29.13,;5.8,-28.36,)|
Show InChI InChI=1S/C17H22N4O2S/c1-10-15(12-5-8-14(18)19-9-12)24-17(20-10)21-16(22)11-3-6-13(23-2)7-4-11/h5,8-9,11,13H,3-4,6-7H2,1-2H3,(H2,18,19)(H,20,21,22)/t11-,13+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

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



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of PI4K3beta (unknown origin)


Bioorg Med Chem Lett 23: 3841-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.077
BindingDB Entry DOI: 10.7270/Q2BG2QCX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM84789
PNG
((9b) BIRB796)
Show SMILES Cc1ccc(cc1C(O)=O)C(=O)NC(O)(NC(=O)NCc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccccc1)C(C)(C)C)C1CCCC1
Show InChI InChI=1S/C38H45N7O6/c1-24-15-18-26(21-30(24)34(47)48)33(46)42-38(51,27-11-9-10-12-27)44-37(5,50)39-23-25-16-19-29(20-17-25)45-32(22-31(43-45)36(2,3)4)41-35(49)40-28-13-7-6-8-14-28/h6-8,13-22,27H,9-12,23H2,1-5H3,(H,47,48)(H2,40,41,49)(H3,39,42,44,46,50,51)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 22n/an/an/an/a7.525



Pfizer Inc.



Assay Description
Binding of inhibitors to unactivated p38a that leads to decreasedphosphorylation of p38alpha by MKK6 was determined by measuringthe activated p38alph...


Chem Biol Drug Des 74: 547-59 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00884.x
BindingDB Entry DOI: 10.7270/Q2930RPH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM84784
PNG
((6a) BIRB796 | (8a) BIRB796)
Show SMILES Cc1cc(ccc1C(O)=O)C(=O)NCc1ccc(cc1)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C
Show InChI InChI=1S/C34H33N5O4/c1-21-18-24(14-17-26(21)32(41)42)31(40)35-20-22-12-15-25(16-13-22)39-30(19-29(38-39)34(2,3)4)37-33(43)36-28-11-7-9-23-8-5-6-10-27(23)28/h5-19H,20H2,1-4H3,(H,35,40)(H,41,42)(H2,36,37,43)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 25n/an/an/an/a7.525



Pfizer Inc.



Assay Description
Binding of inhibitors to unactivated p38a that leads to decreasedphosphorylation of p38alpha by MKK6 was determined by measuringthe activated p38alph...


Chem Biol Drug Des 74: 547-59 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00884.x
BindingDB Entry DOI: 10.7270/Q2930RPH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM84783
PNG
((5b) BIRB796)
Show SMILES CC(=O)c1cc(ccc1C)C(=O)NC(O)(NCc1ccc(cc1)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C)C1CCCC1
Show InChI InChI=1S/C41H45N6O4/c1-26-17-20-30(23-34(26)27(2)48)38(49)45-41(51,31-13-7-8-14-31)42-25-28-18-21-32(22-19-28)47-37(24-36(46-47)40(3,4)5)44-39(50)43-35-16-10-12-29-11-6-9-15-33(29)35/h6,9-12,15-24,31H,7-8,13-14,25H2,1-5H3,(H2,43,44,50)(H2,42,45,49,51)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 26n/an/an/an/a7.525



Pfizer Inc.



Assay Description
Binding of inhibitors to unactivated p38a that leads to decreasedphosphorylation of p38alpha by MKK6 was determined by measuringthe activated p38alph...


Chem Biol Drug Des 74: 547-59 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00884.x
BindingDB Entry DOI: 10.7270/Q2930RPH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50323431
PNG
(CHEMBL1209564 | N-(3-(3-tert-butyl-5-(3-phenylurei...)
Show SMILES Cc1ccn(CC(=O)NCc2cccc(c2)-n2nc(cc2NC(=O)Nc2ccccc2)C(C)(C)C)n1
Show InChI InChI=1S/C27H31N7O2/c1-19-13-14-33(31-19)18-25(35)28-17-20-9-8-12-22(15-20)34-24(16-23(32-34)27(2,3)4)30-26(36)29-21-10-6-5-7-11-21/h5-16H,17-18H2,1-4H3,(H,28,35)(H2,29,30,36)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 27.9n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of unactive p38alpha


Bioorg Med Chem Lett 20: 4885-91 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.073
BindingDB Entry DOI: 10.7270/Q2Z31ZT2
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50323435
PNG
((1R)-2-(3-(3-tert-butyl-5-(3-phenylureido)-1H-pyra...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccccc2)n(n1)-c1cccc(CNC(=O)C2C[C@H]2C(O)=O)c1 |r|
Show InChI InChI=1S/C26H29N5O4/c1-26(2,3)21-14-22(29-25(35)28-17-9-5-4-6-10-17)31(30-21)18-11-7-8-16(12-18)15-27-23(32)19-13-20(19)24(33)34/h4-12,14,19-20H,13,15H2,1-3H3,(H,27,32)(H,33,34)(H2,28,29,35)/t19?,20-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of unactive p38alpha


Bioorg Med Chem Lett 20: 4885-91 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.073
BindingDB Entry DOI: 10.7270/Q2Z31ZT2
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50175297
PNG
(CHEMBL3810245)
Show SMILES CC(c1nc(c[nH]1)-n1ccc(NC(=O)c2cscn2)cc1=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1/C21H16F3N5O2S/c1-12(13-3-2-4-14(7-13)21(22,23)24)19-25-9-17(28-19)29-6-5-15(8-18(29)30)27-20(31)16-10-32-11-26-16/h2-12H,1H3,(H,25,28)(H,27,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 31n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


ACS Med Chem Lett 7: 525-30 (2016)


BindingDB Entry DOI: 10.7270/Q24B337T
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50323416
PNG
(2-acetamido-N-(3-(3-tert-butyl-5-(3-phenylureido)-...)
Show SMILES CC(=O)NCC(=O)NCc1cccc(c1)-n1nc(cc1NC(=O)Nc1ccccc1)C(C)(C)C
Show InChI InChI=1S/C25H30N6O3/c1-17(32)26-16-23(33)27-15-18-9-8-12-20(13-18)31-22(14-21(30-31)25(2,3)4)29-24(34)28-19-10-6-5-7-11-19/h5-14H,15-16H2,1-4H3,(H,26,32)(H,27,33)(H2,28,29,34)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 34n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of active p38alpha


Bioorg Med Chem Lett 20: 4885-91 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.073
BindingDB Entry DOI: 10.7270/Q2Z31ZT2
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM50333483
PNG
(1-[5-tert-Butyl-3-(1,1-dioxo-1lambda*6*-thiomorpho...)
Show SMILES CC(C)(C)c1cc(C(=O)N2CCS(=O)(=O)CC2)c(NC(=O)Nc2ccc3[nH]ncc3c2)s1
Show InChI InChI=1S/C21H25N5O4S2/c1-21(2,3)17-11-15(19(27)26-6-8-32(29,30)9-7-26)18(31-17)24-20(28)23-14-4-5-16-13(10-14)12-22-25-16/h4-5,10-12H,6-9H2,1-3H3,(H,22,25)(H2,23,24,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 34n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of S6K1


Bioorg Med Chem Lett 21: 849-52 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.069
BindingDB Entry DOI: 10.7270/Q289163D
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase beta


(Homo sapiens (Human))
BDBM50005008
PNG
(CHEMBL2397312)
Show SMILES CC(CC(F)(F)F)C(=O)Nc1nc(C)c(s1)-c1ccc(N)nc1
Show InChI InChI=1S/C14H15F3N4OS/c1-7(5-14(15,16)17)12(22)21-13-20-8(2)11(23-13)9-3-4-10(18)19-6-9/h3-4,6-7H,5H2,1-2H3,(H2,18,19)(H,20,21,22)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 35n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of PI4K3beta (unknown origin)


Bioorg Med Chem Lett 23: 3841-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.077
BindingDB Entry DOI: 10.7270/Q2BG2QCX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM84792
PNG
((11b) BIRB796)
Show SMILES Cc1ccc(cc1C(O)=O)C(=O)[n+]1cccc(c1)C(=O)NCc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccccc1)C(C)(C)C
Show InChI InChI=1S/C36H34N6O5/c1-23-12-15-25(19-29(23)34(45)46)33(44)41-18-8-9-26(22-41)32(43)37-21-24-13-16-28(17-14-24)42-31(20-30(40-42)36(2,3)4)39-35(47)38-27-10-6-5-7-11-27/h5-20,22H,21H2,1-4H3,(H3-,37,38,39,40,43,45,46,47)/p+1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 35n/an/an/an/a7.525



Pfizer Inc.



Assay Description
Binding of inhibitors to unactivated p38a that leads to decreasedphosphorylation of p38alpha by MKK6 was determined by measuringthe activated p38alph...


Chem Biol Drug Des 74: 547-59 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00884.x
BindingDB Entry DOI: 10.7270/Q2930RPH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM84790
PNG
((7b) BIRB796)
Show SMILES Cc1ccc(cc1C(O)=O)C(=O)NC(O)(NCc1ccc(cc1)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C)C1CCCC1
Show InChI InChI=1S/C40H43N6O5/c1-25-16-19-28(22-32(25)37(48)49)36(47)44-40(51,29-12-6-7-13-29)41-24-26-17-20-30(21-18-26)46-35(23-34(45-46)39(2,3)4)43-38(50)42-33-15-9-11-27-10-5-8-14-31(27)33/h5,8-11,14-23,29H,6-7,12-13,24H2,1-4H3,(H,48,49)(H2,42,43,50)(H2,41,44,47,51)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 36n/an/an/an/a7.525



Pfizer Inc.



Assay Description
Binding of inhibitors to unactivated p38a that leads to decreasedphosphorylation of p38alpha by MKK6 was determined by measuringthe activated p38alph...


Chem Biol Drug Des 74: 547-59 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00884.x
BindingDB Entry DOI: 10.7270/Q2930RPH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50323433
PNG
(4-(3-(3-tert-butyl-5-(3-phenylureido)-1H-pyrazol-1...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccccc2)n(n1)-c1cccc(CNC(=O)CCC(O)=O)c1
Show InChI InChI=1S/C25H29N5O4/c1-25(2,3)20-15-21(28-24(34)27-18-9-5-4-6-10-18)30(29-20)19-11-7-8-17(14-19)16-26-22(31)12-13-23(32)33/h4-11,14-15H,12-13,16H2,1-3H3,(H,26,31)(H,32,33)(H2,27,28,34)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 37n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of unactive p38alpha


Bioorg Med Chem Lett 20: 4885-91 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.073
BindingDB Entry DOI: 10.7270/Q2Z31ZT2
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50323419
PNG
(CHEMBL1209342 | N-(2-(3-(3-tert-butyl-5-(3-phenylu...)
Show SMILES Cc1cc(no1)C(=O)NCC(=O)NCc1cccc(c1)-n1nc(cc1NC(=O)Nc1ccccc1)C(C)(C)C
Show InChI InChI=1S/C28H31N7O4/c1-18-13-22(34-39-18)26(37)30-17-25(36)29-16-19-9-8-12-21(14-19)35-24(15-23(33-35)28(2,3)4)32-27(38)31-20-10-6-5-7-11-20/h5-15H,16-17H2,1-4H3,(H,29,36)(H,30,37)(H2,31,32,38)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 38n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of unactive p38alpha


Bioorg Med Chem Lett 20: 4885-91 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.073
BindingDB Entry DOI: 10.7270/Q2Z31ZT2
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50323434
PNG
(4-(3-(3-tert-butyl-5-(3-phenylureido)-1H-pyrazol-1...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccccc2)n(n1)-c1cccc(CNC(=O)CC(C)(C)C(O)=O)c1
Show InChI InChI=1S/C27H33N5O4/c1-26(2,3)21-15-22(30-25(36)29-19-11-7-6-8-12-19)32(31-21)20-13-9-10-18(14-20)17-28-23(33)16-27(4,5)24(34)35/h6-15H,16-17H2,1-5H3,(H,28,33)(H,34,35)(H2,29,30,36)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of unactive p38alpha


Bioorg Med Chem Lett 20: 4885-91 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.073
BindingDB Entry DOI: 10.7270/Q2Z31ZT2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase beta


(Homo sapiens (Human))
BDBM50005009
PNG
(CHEMBL2397311)
Show SMILES Cc1nc(NC(=O)C2(C)CCCCC2)sc1-c1ccc(N)nc1
Show InChI InChI=1S/C17H22N4OS/c1-11-14(12-6-7-13(18)19-10-12)23-16(20-11)21-15(22)17(2)8-4-3-5-9-17/h6-7,10H,3-5,8-9H2,1-2H3,(H2,18,19)(H,20,21,22)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 40n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of PI4K3beta (unknown origin)


Bioorg Med Chem Lett 23: 3841-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.077
BindingDB Entry DOI: 10.7270/Q2BG2QCX
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase beta


(Homo sapiens (Human))
BDBM50436476
PNG
(CHEMBL2397316)
Show SMILES Cc1nc(NC(=O)C(C)(C)CC(F)(F)F)sc1-c1ccc(N)nc1
Show InChI InChI=1S/C15H17F3N4OS/c1-8-11(9-4-5-10(19)20-6-9)24-13(21-8)22-12(23)14(2,3)7-15(16,17)18/h4-6H,7H2,1-3H3,(H2,19,20)(H,21,22,23)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 48n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of PI4K3beta (unknown origin)


Bioorg Med Chem Lett 23: 3841-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.077
BindingDB Entry DOI: 10.7270/Q2BG2QCX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50323430
PNG
(CHEMBL1209563 | N-(3-(3-tert-butyl-5-(3-phenylurei...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccccc2)n(n1)-c1cccc(CNC(=O)Cn2cccn2)c1
Show InChI InChI=1S/C26H29N7O2/c1-26(2,3)22-16-23(30-25(35)29-20-10-5-4-6-11-20)33(31-22)21-12-7-9-19(15-21)17-27-24(34)18-32-14-8-13-28-32/h4-16H,17-18H2,1-3H3,(H,27,34)(H2,29,30,35)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 48.8n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of unactive p38alpha


Bioorg Med Chem Lett 20: 4885-91 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.073
BindingDB Entry DOI: 10.7270/Q2Z31ZT2
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50323418
PNG
(CHEMBL1209276 | N-(2-(3-(3-tert-butyl-5-(3-phenylu...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccccc2)n(n1)-c1cccc(CNC(=O)CNC(=O)c2cccnc2)c1
Show InChI InChI=1S/C29H31N7O3/c1-29(2,3)24-16-25(34-28(39)33-22-11-5-4-6-12-22)36(35-24)23-13-7-9-20(15-23)17-31-26(37)19-32-27(38)21-10-8-14-30-18-21/h4-16,18H,17,19H2,1-3H3,(H,31,37)(H,32,38)(H2,33,34,39)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 51n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of unactive p38alpha


Bioorg Med Chem Lett 20: 4885-91 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.073
BindingDB Entry DOI: 10.7270/Q2Z31ZT2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase beta


(Homo sapiens (Human))
BDBM50436477
PNG
(CHEMBL2397315)
Show SMILES C[C@@H](CC(F)(F)F)C(=O)Nc1nc(C)c(s1)-c1ccc(N)nc1 |r|
Show InChI InChI=1S/C14H15F3N4OS/c1-7(5-14(15,16)17)12(22)21-13-20-8(2)11(23-13)9-3-4-10(18)19-6-9/h3-4,6-7H,5H2,1-2H3,(H2,18,19)(H,20,21,22)/t7-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 53n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of PI4K3beta (unknown origin)


Bioorg Med Chem Lett 23: 3841-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.077
BindingDB Entry DOI: 10.7270/Q2BG2QCX
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase beta


(Homo sapiens (Human))
BDBM50005007
PNG
(CHEMBL2397310)
Show SMILES Cc1nc(NC(=O)[C@H]2CC[C@H](CC2)C(F)(F)F)sc1-c1ccc(N)nc1 |r,wU:7.6,10.13,(28.23,-22.96,;29.38,-23.98,;30.89,-23.66,;31.66,-24.99,;33.2,-25.14,;33.83,-26.55,;32.93,-27.8,;35.36,-26.7,;36.25,-25.45,;37.79,-25.61,;38.42,-27.02,;37.51,-28.27,;35.99,-28.11,;39.95,-27.18,;40.58,-28.59,;40.86,-25.94,;41.49,-27.18,;30.64,-26.14,;29.23,-25.51,;27.89,-26.28,;26.56,-25.52,;25.23,-26.29,;25.23,-27.83,;23.89,-28.6,;26.56,-28.6,;27.9,-27.83,)|
Show InChI InChI=1S/C17H19F3N4OS/c1-9-14(11-4-7-13(21)22-8-11)26-16(23-9)24-15(25)10-2-5-12(6-3-10)17(18,19)20/h4,7-8,10,12H,2-3,5-6H2,1H3,(H2,21,22)(H,23,24,25)/t10-,12+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 53n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of PI4K3beta (unknown origin)


Bioorg Med Chem Lett 23: 3841-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.077
BindingDB Entry DOI: 10.7270/Q2BG2QCX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM84794
PNG
((12a) BIRB796)
Show SMILES Cc1cc(ccc1C(O)=O)C(=O)NC(=O)NCc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccccc1)C(C)(C)C
Show InChI InChI=1S/C33H38N6O5/c1-21-18-23(14-17-26(21)30(41)42)29(40)37-33(5,6,44)34-20-22-12-15-25(16-13-22)39-28(19-27(38-39)32(2,3)4)36-31(43)35-24-10-8-7-9-11-24/h7-19H,20H2,1-6H3,(H,41,42)(H2,35,36,43)(H2,34,37,40,44)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 53n/an/an/an/a7.525



Pfizer Inc.



Assay Description
Binding of inhibitors to unactivated p38a that leads to decreasedphosphorylation of p38alpha by MKK6 was determined by measuringthe activated p38alph...


Chem Biol Drug Des 74: 547-59 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00884.x
BindingDB Entry DOI: 10.7270/Q2930RPH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50323436
PNG
((1R)-2-(3-(3-tert-butyl-5-(3-phenylureido)-1H-pyra...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccccc2)n(n1)-c1cccc(CNC(=O)C2CCCC[C@H]2C(O)=O)c1 |r|
Show InChI InChI=1S/C29H35N5O4/c1-29(2,3)24-17-25(32-28(38)31-20-11-5-4-6-12-20)34(33-24)21-13-9-10-19(16-21)18-30-26(35)22-14-7-8-15-23(22)27(36)37/h4-6,9-13,16-17,22-23H,7-8,14-15,18H2,1-3H3,(H,30,35)(H,36,37)(H2,31,32,38)/t22?,23-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 57n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of unactive p38alpha


Bioorg Med Chem Lett 20: 4885-91 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.073
BindingDB Entry DOI: 10.7270/Q2Z31ZT2
More data for this
Ligand-Target Pair
Integrin α4β7


(Homo sapiens (Human))
BDBM50374929
PNG
(CHEMBL402364)
Show SMILES O=C1NC(=O)\C(=C\c2c[nH]c3ccccc23)C(=O)N1c1cccc2ccccc12
Show InChI InChI=1S/C23H15N3O3/c27-21-18(12-15-13-24-19-10-4-3-8-16(15)19)22(28)26(23(29)25-21)20-11-5-7-14-6-1-2-9-17(14)20/h1-13,24H,(H,25,27,29)/b18-12-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 60n/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human integrin alpha-4-beta-7-MAdCAM interaction in human RPMI 8866 cells by whole-cell adhesion assay


Bioorg Med Chem Lett 18: 2509-12 (2008)


Article DOI: 10.1016/j.bmcl.2007.07.068
BindingDB Entry DOI: 10.7270/Q2N58N8Q
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM84793
PNG
((12b) BIRB796)
Show SMILES Cc1cc(ccc1C(O)=O)C(=O)[n+]1cccc(c1)C(=O)NCc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccccc1)C(C)(C)C
Show InChI InChI=1S/C36H34N6O5/c1-23-19-25(14-17-29(23)34(45)46)33(44)41-18-8-9-26(22-41)32(43)37-21-24-12-15-28(16-13-24)42-31(20-30(40-42)36(2,3)4)39-35(47)38-27-10-6-5-7-11-27/h5-20,22H,21H2,1-4H3,(H3-,37,38,39,40,43,45,46,47)/p+1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 62n/an/an/an/a7.525



Pfizer Inc.



Assay Description
Binding of inhibitors to unactivated p38a that leads to decreasedphosphorylation of p38alpha by MKK6 was determined by measuringthe activated p38alph...


Chem Biol Drug Des 74: 547-59 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00884.x
BindingDB Entry DOI: 10.7270/Q2930RPH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50323427
PNG
(CHEMBL1209482 | N-(3-(3-tert-butyl-5-(3-phenylurei...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccccc2)n(n1)-c1cccc(CNC(=O)Cn2ccccc2=O)c1
Show InChI InChI=1S/C28H30N6O3/c1-28(2,3)23-17-24(31-27(37)30-21-11-5-4-6-12-21)34(32-23)22-13-9-10-20(16-22)18-29-25(35)19-33-15-8-7-14-26(33)36/h4-17H,18-19H2,1-3H3,(H,29,35)(H2,30,31,37)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 63n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of active p38alpha


Bioorg Med Chem Lett 20: 4885-91 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.073
BindingDB Entry DOI: 10.7270/Q2Z31ZT2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase beta


(Homo sapiens (Human))
BDBM50005010
PNG
(CHEMBL2397313)
Show SMILES Cc1nc(NC(=O)Cc2nc(c(C)o2)-c2ccccc2)sc1-c1ccc(N)nc1
Show InChI InChI=1S/C21H19N5O2S/c1-12-20(15-8-9-16(22)23-11-15)29-21(24-12)25-17(27)10-18-26-19(13(2)28-18)14-6-4-3-5-7-14/h3-9,11H,10H2,1-2H3,(H2,22,23)(H,24,25,27)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 67n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of PI4K3beta (unknown origin)


Bioorg Med Chem Lett 23: 3841-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.077
BindingDB Entry DOI: 10.7270/Q2BG2QCX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50323415
PNG
(CHEMBL1209273 | N-(3-(3-tert-butyl-5-(3-phenylurei...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccccc2)n(n1)-c1cccc(CNC(=O)CNC=O)c1
Show InChI InChI=1S/C24H28N6O3/c1-24(2,3)20-13-21(28-23(33)27-18-9-5-4-6-10-18)30(29-20)19-11-7-8-17(12-19)14-26-22(32)15-25-16-31/h4-13,16H,14-15H2,1-3H3,(H,25,31)(H,26,32)(H2,27,28,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 68n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of unactive p38alpha


Bioorg Med Chem Lett 20: 4885-91 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.073
BindingDB Entry DOI: 10.7270/Q2Z31ZT2
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 261 total )  |  Next  |  Last  >>
Jump to: