Found 29 hits Enz. Inhib. hit(s) with all data for entry = 50038391 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50375790
(CHEMBL270004)Show SMILES CC(C)(N)C(=O)NCCOc1cc(-c2ccccc2Cl)c2ccc(=O)n(-c3c(Cl)cccc3Cl)c2c1 |(6.02,.44,;5.14,-.82,;4.29,-2.11,;6.4,-1.7,;3.86,.05,;2.61,-.87,;3.82,1.59,;2.48,2.33,;1.15,1.54,;-.19,2.29,;-1.51,1.49,;-1.49,-.05,;-2.81,-.83,;-2.79,-2.37,;-4.12,-3.16,;-4.1,-4.7,;-2.75,-5.45,;-1.42,-4.66,;-1.45,-3.12,;-.13,-2.33,;-4.15,-.08,;-5.46,-.87,;-6.8,-.12,;-6.82,1.42,;-8.17,2.17,;-5.5,2.21,;-5.52,3.75,;-6.86,4.5,;-8.18,3.71,;-6.88,6.04,;-5.56,6.83,;-4.21,6.08,;-4.19,4.54,;-2.85,3.79,;-4.16,1.45,;-2.85,2.24,)| Show InChI InChI=1S/C27H24Cl3N3O3/c1-27(2,31)26(35)32-12-13-36-16-14-19(17-6-3-4-7-20(17)28)18-10-11-24(34)33(23(18)15-16)25-21(29)8-5-9-22(25)30/h3-11,14-15H,12-13,31H2,1-2H3,(H,32,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.120 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha |
Bioorg Med Chem Lett 18: 2222-6 (2008)
Article DOI: 10.1016/j.bmcl.2006.10.097
BindingDB Entry DOI: 10.7270/Q23T9J36 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50375797
(CHEMBL269792)Show SMILES C[C@H](N)C(=O)NCCOc1cc(-c2ccccc2Cl)c2ccc(=O)n(-c3c(Cl)cccc3Cl)c2c1 |wU:1.1,(30.05,-2.81,;29.98,-1.26,;31.21,-.38,;28.7,-.38,;27.45,-1.31,;28.66,1.16,;27.32,1.9,;25.99,1.11,;24.65,1.86,;23.33,1.07,;23.35,-.48,;22.03,-1.26,;22.05,-2.8,;20.72,-3.59,;20.74,-5.13,;22.09,-5.88,;23.42,-5.09,;23.39,-3.55,;24.71,-2.76,;20.69,-.51,;19.37,-1.3,;18.03,-.55,;18.01,.99,;16.67,1.74,;19.33,1.79,;19.31,3.33,;17.98,4.08,;16.65,3.29,;17.95,5.61,;19.28,6.41,;20.63,5.66,;20.65,4.12,;21.99,3.36,;20.67,1.03,;21.99,1.81,)| Show InChI InChI=1S/C26H22Cl3N3O3/c1-15(30)26(34)31-11-12-35-16-13-19(17-5-2-3-6-20(17)27)18-9-10-24(33)32(23(18)14-16)25-21(28)7-4-8-22(25)29/h2-10,13-15H,11-12,30H2,1H3,(H,31,34)/t15-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.160 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha |
Bioorg Med Chem Lett 18: 2222-6 (2008)
Article DOI: 10.1016/j.bmcl.2006.10.097
BindingDB Entry DOI: 10.7270/Q23T9J36 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50375796
(CHEMBL255403)Show SMILES C[C@@H](N)C(=O)NCCOc1cc(-c2ccccc2Cl)c2ccc(=O)n(-c3c(Cl)cccc3Cl)c2c1 |wD:1.1,(6.2,-17.24,;6.13,-15.68,;7.35,-14.8,;4.85,-14.8,;3.6,-15.73,;4.81,-13.26,;3.47,-12.52,;2.14,-13.31,;.8,-12.56,;-.53,-13.36,;-.5,-14.9,;-1.82,-15.69,;-1.8,-17.22,;-3.13,-18.01,;-3.11,-19.55,;-1.76,-20.31,;-.44,-19.51,;-.46,-17.97,;.86,-17.18,;-3.16,-14.94,;-4.48,-15.72,;-5.82,-14.98,;-5.84,-13.43,;-7.19,-12.69,;-4.52,-12.64,;-4.54,-11.1,;-5.87,-10.35,;-7.2,-11.14,;-5.9,-8.81,;-4.57,-8.02,;-3.23,-8.77,;-3.2,-10.31,;-1.86,-11.06,;-3.18,-13.4,;-1.86,-12.61,)| Show InChI InChI=1S/C26H22Cl3N3O3/c1-15(30)26(34)31-11-12-35-16-13-19(17-5-2-3-6-20(17)27)18-9-10-24(33)32(23(18)14-16)25-21(28)7-4-8-22(25)29/h2-10,13-15H,11-12,30H2,1H3,(H,31,34)/t15-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha |
Bioorg Med Chem Lett 18: 2222-6 (2008)
Article DOI: 10.1016/j.bmcl.2006.10.097
BindingDB Entry DOI: 10.7270/Q23T9J36 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50375798
(CHEMBL437024)Show SMILES NCC(=O)NCCOc1cc(-c2ccccc2Cl)c2ccc(=O)n(-c3c(Cl)cccc3Cl)c2c1 |(7.26,-41.02,;5.95,-41.95,;4.71,-41.09,;3.48,-41.96,;4.7,-39.54,;3.36,-38.78,;2.03,-39.56,;.69,-38.79,;-.64,-39.57,;-.64,-41.11,;-1.97,-41.88,;-1.97,-43.42,;-3.31,-44.19,;-3.31,-45.73,;-1.98,-46.5,;-.64,-45.72,;-.64,-44.18,;.69,-43.41,;-3.3,-41.11,;-4.63,-41.88,;-5.96,-41.11,;-5.96,-39.57,;-7.29,-38.81,;-4.63,-38.79,;-4.63,-37.25,;-5.95,-36.48,;-7.28,-37.26,;-5.95,-34.95,;-4.62,-34.17,;-3.28,-34.94,;-3.28,-36.48,;-1.95,-37.25,;-3.3,-39.57,;-1.97,-38.81,)| Show InChI InChI=1S/C25H20Cl3N3O3/c26-19-5-2-1-4-16(19)18-12-15(34-11-10-30-23(32)14-29)13-22-17(18)8-9-24(33)31(22)25-20(27)6-3-7-21(25)28/h1-9,12-13H,10-11,14,29H2,(H,30,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha |
Bioorg Med Chem Lett 18: 2222-6 (2008)
Article DOI: 10.1016/j.bmcl.2006.10.097
BindingDB Entry DOI: 10.7270/Q23T9J36 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50375788
(CHEMBL257697)Show SMILES NC(CO)C(=O)NCCOc1cc(-c2ccccc2Cl)c2ccc(=O)n(-c3c(Cl)cccc3Cl)c2c1 |w:1.0,(30.03,-41.17,;28.7,-41.95,;28.71,-43.49,;30.05,-44.25,;27.36,-41.18,;26.03,-41.96,;27.35,-39.63,;26.01,-38.88,;24.67,-39.65,;23.34,-38.88,;22,-39.66,;22.01,-41.2,;20.68,-41.97,;20.68,-43.51,;19.34,-44.28,;19.34,-45.82,;20.67,-46.59,;22.01,-45.81,;22.01,-44.28,;23.34,-43.5,;19.35,-41.2,;18.02,-41.97,;16.69,-41.21,;16.69,-39.66,;15.35,-38.9,;18.02,-38.89,;18.02,-37.34,;16.7,-36.58,;15.36,-37.35,;16.69,-35.04,;18.03,-34.26,;19.37,-35.03,;19.37,-36.57,;20.7,-37.34,;19.35,-39.66,;20.68,-38.9,)| Show InChI InChI=1S/C26H22Cl3N3O4/c27-19-5-2-1-4-16(19)18-12-15(36-11-10-31-26(35)22(30)14-33)13-23-17(18)8-9-24(34)32(23)25-20(28)6-3-7-21(25)29/h1-9,12-13,22,33H,10-11,14,30H2,(H,31,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha |
Bioorg Med Chem Lett 18: 2222-6 (2008)
Article DOI: 10.1016/j.bmcl.2006.10.097
BindingDB Entry DOI: 10.7270/Q23T9J36 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50375795
(CHEMBL403389)Show SMILES NCCC(=O)NCCOc1cc(-c2ccccc2Cl)c2ccc(=O)n(-c3c(Cl)cccc3Cl)c2c1 |(28.21,-17.45,;26.85,-16.74,;26.79,-15.19,;25.5,-14.3,;24.25,-15.23,;25.47,-12.76,;24.12,-12.02,;22.8,-12.81,;21.45,-12.07,;20.13,-12.86,;20.15,-14.4,;18.83,-15.19,;18.85,-16.73,;17.52,-17.51,;17.54,-19.05,;18.89,-19.81,;20.22,-19.01,;20.19,-17.48,;21.51,-16.68,;17.49,-14.44,;16.18,-15.22,;14.83,-14.48,;14.81,-12.94,;13.47,-12.19,;16.13,-12.14,;16.11,-10.6,;14.78,-9.85,;13.46,-10.64,;14.75,-8.31,;16.08,-7.52,;17.43,-8.27,;17.45,-9.81,;18.79,-10.56,;17.47,-12.9,;18.79,-12.12,)| Show InChI InChI=1S/C26H22Cl3N3O3/c27-20-5-2-1-4-17(20)19-14-16(35-13-12-31-24(33)10-11-30)15-23-18(19)8-9-25(34)32(23)26-21(28)6-3-7-22(26)29/h1-9,14-15H,10-13,30H2,(H,31,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.570 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha |
Bioorg Med Chem Lett 18: 2222-6 (2008)
Article DOI: 10.1016/j.bmcl.2006.10.097
BindingDB Entry DOI: 10.7270/Q23T9J36 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50375792
(CHEMBL257236)Show SMILES Oc1cc(-c2ccccc2Cl)c2ccc(=O)n(-c3c(Cl)cccc3Cl)c2c1 |(-.42,-39.44,;-1.76,-40.22,;-1.75,-41.76,;-3.08,-42.53,;-3.08,-44.07,;-4.42,-44.84,;-4.42,-46.38,;-3.09,-47.15,;-1.75,-46.37,;-1.75,-44.83,;-.42,-44.06,;-4.41,-41.76,;-5.74,-42.53,;-7.07,-41.76,;-7.07,-40.22,;-8.41,-39.45,;-5.74,-39.44,;-5.74,-37.9,;-7.06,-37.13,;-8.4,-37.9,;-7.07,-35.59,;-5.73,-34.82,;-4.39,-35.59,;-4.39,-37.13,;-3.06,-37.9,;-4.41,-40.22,;-3.09,-39.45,)| Show InChI InChI=1S/C21H12Cl3NO2/c22-16-5-2-1-4-13(16)15-10-12(26)11-19-14(15)8-9-20(27)25(19)21-17(23)6-3-7-18(21)24/h1-11,26H | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha |
Bioorg Med Chem Lett 18: 2222-6 (2008)
Article DOI: 10.1016/j.bmcl.2006.10.097
BindingDB Entry DOI: 10.7270/Q23T9J36 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50375794
(CHEMBL409901)Show SMILES Clc1ccccc1-c1cc(OCCNC(=O)[C@@H]2CCCN2)cc2n(-c3c(Cl)cccc3Cl)c(=O)ccc12 |wU:16.16,(24.63,-15.07,;23.3,-15.85,;23.3,-17.38,;21.96,-18.16,;20.63,-17.39,;20.63,-15.85,;21.97,-15.08,;21.97,-13.54,;23.3,-12.77,;23.3,-11.23,;24.63,-10.45,;25.97,-11.22,;27.3,-10.45,;28.64,-11.21,;28.61,-12.75,;27.21,-13.5,;29.93,-13.53,;30.06,-15.07,;31.52,-15.39,;32.33,-14.07,;31.33,-12.91,;21.97,-10.47,;20.64,-11.23,;19.31,-10.46,;19.31,-8.91,;17.99,-8.15,;16.66,-8.92,;17.99,-6.61,;19.32,-5.83,;20.66,-6.6,;20.66,-8.14,;21.99,-8.92,;17.98,-11.23,;16.65,-10.47,;17.98,-12.78,;19.31,-13.54,;20.64,-12.77,)| Show InChI InChI=1S/C28H24Cl3N3O3/c29-21-6-2-1-5-18(21)20-15-17(37-14-13-33-28(36)24-9-4-12-32-24)16-25-19(20)10-11-26(35)34(25)27-22(30)7-3-8-23(27)31/h1-3,5-8,10-11,15-16,24,32H,4,9,12-14H2,(H,33,36)/t24-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.75 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha |
Bioorg Med Chem Lett 18: 2222-6 (2008)
Article DOI: 10.1016/j.bmcl.2006.10.097
BindingDB Entry DOI: 10.7270/Q23T9J36 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50375789
(CHEMBL256421)Show SMILES Clc1ccccc1-c1cc(OCCNC(=O)[C@H]2CCCN2)cc2n(-c3c(Cl)cccc3Cl)c(=O)ccc12 |wD:16.16,(1.2,-29.61,;-.13,-30.38,;-.13,-31.92,;-1.47,-32.7,;-2.8,-31.92,;-2.8,-30.38,;-1.46,-29.62,;-1.46,-28.08,;-.13,-27.31,;-.14,-25.76,;1.2,-24.99,;2.53,-25.76,;3.87,-24.98,;5.21,-25.74,;5.18,-27.28,;3.78,-28.04,;6.49,-28.06,;6.63,-29.6,;8.08,-29.93,;8.9,-28.6,;7.9,-27.45,;-1.47,-25,;-2.79,-25.77,;-4.12,-24.99,;-4.12,-23.45,;-5.44,-22.68,;-6.78,-23.45,;-5.45,-21.14,;-4.11,-20.37,;-2.77,-21.14,;-2.77,-22.68,;-1.44,-23.45,;-5.45,-25.77,;-6.79,-25,;-5.45,-27.31,;-4.12,-28.07,;-2.79,-27.31,)| Show InChI InChI=1S/C28H24Cl3N3O3/c29-21-6-2-1-5-18(21)20-15-17(37-14-13-33-28(36)24-9-4-12-32-24)16-25-19(20)10-11-26(35)34(25)27-22(30)7-3-8-23(27)31/h1-3,5-8,10-11,15-16,24,32H,4,9,12-14H2,(H,33,36)/t24-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha |
Bioorg Med Chem Lett 18: 2222-6 (2008)
Article DOI: 10.1016/j.bmcl.2006.10.097
BindingDB Entry DOI: 10.7270/Q23T9J36 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50375805
(CHEMBL403925)Show SMILES COc1cc(-c2ccccc2Cl)c2ccc(=O)n(-c3c(Cl)cccc3Cl)c2c1 |(13.91,-23.23,;13.92,-24.77,;12.59,-25.55,;12.59,-27.09,;11.26,-27.86,;11.26,-29.4,;9.92,-30.17,;9.92,-31.71,;11.25,-32.48,;12.59,-31.7,;12.59,-30.16,;13.92,-29.39,;9.93,-27.09,;8.6,-27.86,;7.27,-27.09,;7.27,-25.55,;5.93,-24.78,;8.6,-24.77,;8.6,-23.23,;7.28,-22.46,;5.94,-23.24,;7.27,-20.93,;8.61,-20.15,;9.95,-20.92,;9.95,-22.46,;11.28,-23.23,;9.93,-25.55,;11.26,-24.78,)| Show InChI InChI=1S/C22H14Cl3NO2/c1-28-13-11-16(14-5-2-3-6-17(14)23)15-9-10-21(27)26(20(15)12-13)22-18(24)7-4-8-19(22)25/h2-12H,1H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha |
Bioorg Med Chem Lett 18: 2222-6 (2008)
Article DOI: 10.1016/j.bmcl.2006.10.097
BindingDB Entry DOI: 10.7270/Q23T9J36 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50375799
(CHEMBL270611)Show SMILES NC1(CC1)C(=O)NCCOc1cc(-c2ccccc2Cl)c2ccc(=O)n(-c3c(Cl)cccc3Cl)c2c1 |(29.39,-28.26,;29.39,-26.72,;30.72,-25.94,;30.73,-27.48,;28.04,-25.99,;26.72,-26.8,;27.99,-24.45,;26.65,-23.69,;25.32,-24.47,;23.98,-23.7,;22.65,-24.48,;22.65,-26.02,;21.32,-26.79,;21.32,-28.33,;19.98,-29.1,;19.98,-30.64,;21.32,-31.41,;22.66,-30.63,;22.65,-29.09,;23.98,-28.32,;19.99,-26.02,;18.67,-26.79,;17.34,-26.02,;17.34,-24.48,;16,-23.72,;18.67,-23.7,;18.67,-22.16,;17.34,-21.39,;16.01,-22.17,;17.34,-19.86,;18.68,-19.08,;20.01,-19.85,;20.01,-21.39,;21.35,-22.16,;20,-24.48,;21.32,-23.72,)| Show InChI InChI=1S/C27H22Cl3N3O3/c28-20-5-2-1-4-17(20)19-14-16(36-13-12-32-26(35)27(31)10-11-27)15-23-18(19)8-9-24(34)33(23)25-21(29)6-3-7-22(25)30/h1-9,14-15H,10-13,31H2,(H,32,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha |
Bioorg Med Chem Lett 18: 2222-6 (2008)
Article DOI: 10.1016/j.bmcl.2006.10.097
BindingDB Entry DOI: 10.7270/Q23T9J36 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50375804
(CHEMBL270599)Show SMILES OC1Cc2c(cc(O)cc2-c2ccccc2Cl)N(C1=O)c1c(Cl)cccc1Cl |w:1.0| Show InChI InChI=1S/C21H14Cl3NO3/c22-15-5-2-1-4-12(15)13-8-11(26)9-18-14(13)10-19(27)21(28)25(18)20-16(23)6-3-7-17(20)24/h1-9,19,26-27H,10H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha |
Bioorg Med Chem Lett 18: 2222-6 (2008)
Article DOI: 10.1016/j.bmcl.2006.10.097
BindingDB Entry DOI: 10.7270/Q23T9J36 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50375802
(CHEMBL271850)Show SMILES Oc1cc(-c2ccccc2Cl)c2cc(O)c(=O)n(-c3c(Cl)cccc3Cl)c2c1 |(-.48,2.13,;-1.81,1.35,;-1.81,-.19,;-3.14,-.96,;-3.14,-2.5,;-4.48,-3.27,;-4.48,-4.81,;-3.14,-5.58,;-1.8,-4.8,;-1.81,-3.27,;-.47,-2.49,;-4.47,-.19,;-5.79,-.96,;-7.12,-.19,;-8.46,-.97,;-7.12,1.35,;-8.46,2.11,;-5.79,2.13,;-5.79,3.67,;-7.12,4.43,;-8.45,3.66,;-7.12,5.97,;-5.78,6.75,;-4.45,5.98,;-4.45,4.44,;-3.11,3.67,;-4.46,1.35,;-3.14,2.11,)| Show InChI InChI=1S/C21H12Cl3NO3/c22-15-5-2-1-4-12(15)13-8-11(26)9-18-14(13)10-19(27)21(28)25(18)20-16(23)6-3-7-17(20)24/h1-10,26-27H | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha |
Bioorg Med Chem Lett 18: 2222-6 (2008)
Article DOI: 10.1016/j.bmcl.2006.10.097
BindingDB Entry DOI: 10.7270/Q23T9J36 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50375806
(CHEMBL405713)Show SMILES Clc1ccccc1-c1cccc2n(-c3c(Cl)cccc3Cl)c(=O)ccc12 |(.21,-16.12,;-1.12,-16.9,;-1.12,-18.44,;-2.46,-19.21,;-3.8,-18.44,;-3.79,-16.9,;-2.45,-16.13,;-2.45,-14.59,;-1.12,-13.82,;-1.13,-12.28,;-2.46,-11.52,;-3.78,-12.28,;-5.11,-11.5,;-5.11,-9.96,;-6.43,-9.19,;-7.77,-9.97,;-6.44,-7.66,;-5.1,-6.88,;-3.76,-7.65,;-3.76,-9.19,;-2.43,-9.96,;-6.44,-12.28,;-7.78,-11.52,;-6.44,-13.83,;-5.11,-14.59,;-3.78,-13.82,)| Show InChI InChI=1S/C21H12Cl3NO/c22-16-7-2-1-5-14(16)13-6-3-10-19-15(13)11-12-20(26)25(19)21-17(23)8-4-9-18(21)24/h1-12H | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha |
Bioorg Med Chem Lett 18: 2222-6 (2008)
Article DOI: 10.1016/j.bmcl.2006.10.097
BindingDB Entry DOI: 10.7270/Q23T9J36 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50375793
(CHEMBL270812)Show SMILES COc1cc2N(C(=O)C(O)Cc2c(c1)-c1ccccc1Cl)c1c(Cl)cccc1Cl |w:8.8| Show InChI InChI=1S/C22H16Cl3NO3/c1-29-12-9-14(13-5-2-3-6-16(13)23)15-11-20(27)22(28)26(19(15)10-12)21-17(24)7-4-8-18(21)25/h2-10,20,27H,11H2,1H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha |
Bioorg Med Chem Lett 18: 2222-6 (2008)
Article DOI: 10.1016/j.bmcl.2006.10.097
BindingDB Entry DOI: 10.7270/Q23T9J36 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50375801
(CHEMBL271639)Show SMILES Clc1cccc(Cl)c1-n1c2cccc(-c3ccccc3)c2ccc1=O |(5.34,4.13,;6.67,4.9,;6.67,6.44,;8.01,7.22,;9.35,6.45,;9.34,4.91,;10.68,4.14,;8,4.14,;8,2.59,;9.33,1.81,;10.65,2.58,;11.98,1.82,;11.99,.28,;10.66,-.49,;10.66,-2.03,;9.32,-2.8,;9.31,-4.34,;10.65,-5.12,;11.99,-4.34,;11.99,-2.8,;9.33,.28,;8,-.49,;6.67,.27,;6.67,1.81,;5.33,2.58,)| Show InChI InChI=1S/C21H13Cl2NO/c22-17-9-5-10-18(23)21(17)24-19-11-4-8-15(14-6-2-1-3-7-14)16(19)12-13-20(24)25/h1-13H | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13.4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha |
Bioorg Med Chem Lett 18: 2222-6 (2008)
Article DOI: 10.1016/j.bmcl.2006.10.097
BindingDB Entry DOI: 10.7270/Q23T9J36 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50375807
(CHEMBL404023)Show SMILES OC1Cc2c(cccc2-c2ccccc2Cl)N(C1=O)c1c(Cl)cccc1Cl |w:1.0| Show InChI InChI=1S/C21H14Cl3NO2/c22-15-7-2-1-5-13(15)12-6-3-10-18-14(12)11-19(26)21(27)25(18)20-16(23)8-4-9-17(20)24/h1-10,19,26H,11H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 27.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha |
Bioorg Med Chem Lett 18: 2222-6 (2008)
Article DOI: 10.1016/j.bmcl.2006.10.097
BindingDB Entry DOI: 10.7270/Q23T9J36 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50375803
(CHEMBL401774)Show SMILES COc1cc(-c2ccccc2Cl)c2cc(O)c(=O)n(-c3c(Cl)cccc3Cl)c2c1 |(30.93,-36.79,;30.94,-38.33,;29.6,-39.11,;29.61,-40.65,;28.28,-41.42,;28.28,-42.96,;26.94,-43.73,;26.94,-45.27,;28.27,-46.04,;29.61,-45.26,;29.61,-43.73,;30.94,-42.95,;26.95,-40.65,;25.62,-41.42,;24.29,-40.65,;22.96,-41.43,;24.29,-39.11,;22.95,-38.35,;25.62,-38.33,;25.62,-36.79,;24.3,-36.03,;22.96,-36.8,;24.29,-34.49,;25.63,-33.71,;26.97,-34.48,;26.97,-36.02,;28.3,-36.79,;26.95,-39.11,;28.27,-38.35,)| Show InChI InChI=1S/C22H14Cl3NO3/c1-29-12-9-14(13-5-2-3-6-16(13)23)15-11-20(27)22(28)26(19(15)10-12)21-17(24)7-4-8-18(21)25/h2-11,27H,1H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha |
Bioorg Med Chem Lett 18: 2222-6 (2008)
Article DOI: 10.1016/j.bmcl.2006.10.097
BindingDB Entry DOI: 10.7270/Q23T9J36 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50375790
(CHEMBL270004)Show SMILES CC(C)(N)C(=O)NCCOc1cc(-c2ccccc2Cl)c2ccc(=O)n(-c3c(Cl)cccc3Cl)c2c1 |(6.02,.44,;5.14,-.82,;4.29,-2.11,;6.4,-1.7,;3.86,.05,;2.61,-.87,;3.82,1.59,;2.48,2.33,;1.15,1.54,;-.19,2.29,;-1.51,1.49,;-1.49,-.05,;-2.81,-.83,;-2.79,-2.37,;-4.12,-3.16,;-4.1,-4.7,;-2.75,-5.45,;-1.42,-4.66,;-1.45,-3.12,;-.13,-2.33,;-4.15,-.08,;-5.46,-.87,;-6.8,-.12,;-6.82,1.42,;-8.17,2.17,;-5.5,2.21,;-5.52,3.75,;-6.86,4.5,;-8.18,3.71,;-6.88,6.04,;-5.56,6.83,;-4.21,6.08,;-4.19,4.54,;-2.85,3.79,;-4.16,1.45,;-2.85,2.24,)| Show InChI InChI=1S/C27H24Cl3N3O3/c1-27(2,31)26(35)32-12-13-36-16-14-19(17-6-3-4-7-20(17)28)18-10-11-24(34)33(23(18)15-16)25-21(29)8-5-9-22(25)30/h3-11,14-15H,12-13,31H2,1-2H3,(H,32,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of p38-alpha by whole blood assay |
Bioorg Med Chem Lett 18: 2222-6 (2008)
Article DOI: 10.1016/j.bmcl.2006.10.097
BindingDB Entry DOI: 10.7270/Q23T9J36 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50375797
(CHEMBL269792)Show SMILES C[C@H](N)C(=O)NCCOc1cc(-c2ccccc2Cl)c2ccc(=O)n(-c3c(Cl)cccc3Cl)c2c1 |wU:1.1,(30.05,-2.81,;29.98,-1.26,;31.21,-.38,;28.7,-.38,;27.45,-1.31,;28.66,1.16,;27.32,1.9,;25.99,1.11,;24.65,1.86,;23.33,1.07,;23.35,-.48,;22.03,-1.26,;22.05,-2.8,;20.72,-3.59,;20.74,-5.13,;22.09,-5.88,;23.42,-5.09,;23.39,-3.55,;24.71,-2.76,;20.69,-.51,;19.37,-1.3,;18.03,-.55,;18.01,.99,;16.67,1.74,;19.33,1.79,;19.31,3.33,;17.98,4.08,;16.65,3.29,;17.95,5.61,;19.28,6.41,;20.63,5.66,;20.65,4.12,;21.99,3.36,;20.67,1.03,;21.99,1.81,)| Show InChI InChI=1S/C26H22Cl3N3O3/c1-15(30)26(34)31-11-12-35-16-13-19(17-5-2-3-6-20(17)27)18-9-10-24(33)32(23(18)14-16)25-21(28)7-4-8-22(25)29/h2-10,13-15H,11-12,30H2,1H3,(H,31,34)/t15-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of p38-alpha by whole blood assay |
Bioorg Med Chem Lett 18: 2222-6 (2008)
Article DOI: 10.1016/j.bmcl.2006.10.097
BindingDB Entry DOI: 10.7270/Q23T9J36 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50375796
(CHEMBL255403)Show SMILES C[C@@H](N)C(=O)NCCOc1cc(-c2ccccc2Cl)c2ccc(=O)n(-c3c(Cl)cccc3Cl)c2c1 |wD:1.1,(6.2,-17.24,;6.13,-15.68,;7.35,-14.8,;4.85,-14.8,;3.6,-15.73,;4.81,-13.26,;3.47,-12.52,;2.14,-13.31,;.8,-12.56,;-.53,-13.36,;-.5,-14.9,;-1.82,-15.69,;-1.8,-17.22,;-3.13,-18.01,;-3.11,-19.55,;-1.76,-20.31,;-.44,-19.51,;-.46,-17.97,;.86,-17.18,;-3.16,-14.94,;-4.48,-15.72,;-5.82,-14.98,;-5.84,-13.43,;-7.19,-12.69,;-4.52,-12.64,;-4.54,-11.1,;-5.87,-10.35,;-7.2,-11.14,;-5.9,-8.81,;-4.57,-8.02,;-3.23,-8.77,;-3.2,-10.31,;-1.86,-11.06,;-3.18,-13.4,;-1.86,-12.61,)| Show InChI InChI=1S/C26H22Cl3N3O3/c1-15(30)26(34)31-11-12-35-16-13-19(17-5-2-3-6-20(17)27)18-9-10-24(33)32(23(18)14-16)25-21(28)7-4-8-22(25)29/h2-10,13-15H,11-12,30H2,1H3,(H,31,34)/t15-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of p38-alpha by whole blood assay |
Bioorg Med Chem Lett 18: 2222-6 (2008)
Article DOI: 10.1016/j.bmcl.2006.10.097
BindingDB Entry DOI: 10.7270/Q23T9J36 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50375789
(CHEMBL256421)Show SMILES Clc1ccccc1-c1cc(OCCNC(=O)[C@H]2CCCN2)cc2n(-c3c(Cl)cccc3Cl)c(=O)ccc12 |wD:16.16,(1.2,-29.61,;-.13,-30.38,;-.13,-31.92,;-1.47,-32.7,;-2.8,-31.92,;-2.8,-30.38,;-1.46,-29.62,;-1.46,-28.08,;-.13,-27.31,;-.14,-25.76,;1.2,-24.99,;2.53,-25.76,;3.87,-24.98,;5.21,-25.74,;5.18,-27.28,;3.78,-28.04,;6.49,-28.06,;6.63,-29.6,;8.08,-29.93,;8.9,-28.6,;7.9,-27.45,;-1.47,-25,;-2.79,-25.77,;-4.12,-24.99,;-4.12,-23.45,;-5.44,-22.68,;-6.78,-23.45,;-5.45,-21.14,;-4.11,-20.37,;-2.77,-21.14,;-2.77,-22.68,;-1.44,-23.45,;-5.45,-25.77,;-6.79,-25,;-5.45,-27.31,;-4.12,-28.07,;-2.79,-27.31,)| Show InChI InChI=1S/C28H24Cl3N3O3/c29-21-6-2-1-5-18(21)20-15-17(37-14-13-33-28(36)24-9-4-12-32-24)16-25-19(20)10-11-26(35)34(25)27-22(30)7-3-8-23(27)31/h1-3,5-8,10-11,15-16,24,32H,4,9,12-14H2,(H,33,36)/t24-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 73 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of p38-alpha by whole blood assay |
Bioorg Med Chem Lett 18: 2222-6 (2008)
Article DOI: 10.1016/j.bmcl.2006.10.097
BindingDB Entry DOI: 10.7270/Q23T9J36 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50375798
(CHEMBL437024)Show SMILES NCC(=O)NCCOc1cc(-c2ccccc2Cl)c2ccc(=O)n(-c3c(Cl)cccc3Cl)c2c1 |(7.26,-41.02,;5.95,-41.95,;4.71,-41.09,;3.48,-41.96,;4.7,-39.54,;3.36,-38.78,;2.03,-39.56,;.69,-38.79,;-.64,-39.57,;-.64,-41.11,;-1.97,-41.88,;-1.97,-43.42,;-3.31,-44.19,;-3.31,-45.73,;-1.98,-46.5,;-.64,-45.72,;-.64,-44.18,;.69,-43.41,;-3.3,-41.11,;-4.63,-41.88,;-5.96,-41.11,;-5.96,-39.57,;-7.29,-38.81,;-4.63,-38.79,;-4.63,-37.25,;-5.95,-36.48,;-7.28,-37.26,;-5.95,-34.95,;-4.62,-34.17,;-3.28,-34.94,;-3.28,-36.48,;-1.95,-37.25,;-3.3,-39.57,;-1.97,-38.81,)| Show InChI InChI=1S/C25H20Cl3N3O3/c26-19-5-2-1-4-16(19)18-12-15(34-11-10-30-23(32)14-29)13-22-17(18)8-9-24(33)31(22)25-20(27)6-3-7-21(25)28/h1-9,12-13H,10-11,14,29H2,(H,30,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of p38-alpha by whole blood assay |
Bioorg Med Chem Lett 18: 2222-6 (2008)
Article DOI: 10.1016/j.bmcl.2006.10.097
BindingDB Entry DOI: 10.7270/Q23T9J36 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50375794
(CHEMBL409901)Show SMILES Clc1ccccc1-c1cc(OCCNC(=O)[C@@H]2CCCN2)cc2n(-c3c(Cl)cccc3Cl)c(=O)ccc12 |wU:16.16,(24.63,-15.07,;23.3,-15.85,;23.3,-17.38,;21.96,-18.16,;20.63,-17.39,;20.63,-15.85,;21.97,-15.08,;21.97,-13.54,;23.3,-12.77,;23.3,-11.23,;24.63,-10.45,;25.97,-11.22,;27.3,-10.45,;28.64,-11.21,;28.61,-12.75,;27.21,-13.5,;29.93,-13.53,;30.06,-15.07,;31.52,-15.39,;32.33,-14.07,;31.33,-12.91,;21.97,-10.47,;20.64,-11.23,;19.31,-10.46,;19.31,-8.91,;17.99,-8.15,;16.66,-8.92,;17.99,-6.61,;19.32,-5.83,;20.66,-6.6,;20.66,-8.14,;21.99,-8.92,;17.98,-11.23,;16.65,-10.47,;17.98,-12.78,;19.31,-13.54,;20.64,-12.77,)| Show InChI InChI=1S/C28H24Cl3N3O3/c29-21-6-2-1-5-18(21)20-15-17(37-14-13-33-28(36)24-9-4-12-32-24)16-25-19(20)10-11-26(35)34(25)27-22(30)7-3-8-23(27)31/h1-3,5-8,10-11,15-16,24,32H,4,9,12-14H2,(H,33,36)/t24-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 87 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of p38-alpha by whole blood assay |
Bioorg Med Chem Lett 18: 2222-6 (2008)
Article DOI: 10.1016/j.bmcl.2006.10.097
BindingDB Entry DOI: 10.7270/Q23T9J36 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50375795
(CHEMBL403389)Show SMILES NCCC(=O)NCCOc1cc(-c2ccccc2Cl)c2ccc(=O)n(-c3c(Cl)cccc3Cl)c2c1 |(28.21,-17.45,;26.85,-16.74,;26.79,-15.19,;25.5,-14.3,;24.25,-15.23,;25.47,-12.76,;24.12,-12.02,;22.8,-12.81,;21.45,-12.07,;20.13,-12.86,;20.15,-14.4,;18.83,-15.19,;18.85,-16.73,;17.52,-17.51,;17.54,-19.05,;18.89,-19.81,;20.22,-19.01,;20.19,-17.48,;21.51,-16.68,;17.49,-14.44,;16.18,-15.22,;14.83,-14.48,;14.81,-12.94,;13.47,-12.19,;16.13,-12.14,;16.11,-10.6,;14.78,-9.85,;13.46,-10.64,;14.75,-8.31,;16.08,-7.52,;17.43,-8.27,;17.45,-9.81,;18.79,-10.56,;17.47,-12.9,;18.79,-12.12,)| Show InChI InChI=1S/C26H22Cl3N3O3/c27-20-5-2-1-4-17(20)19-14-16(35-13-12-31-24(33)10-11-30)15-23-18(19)8-9-25(34)32(23)26-21(28)6-3-7-22(26)29/h1-9,14-15H,10-13,30H2,(H,31,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of p38-alpha by whole blood assay |
Bioorg Med Chem Lett 18: 2222-6 (2008)
Article DOI: 10.1016/j.bmcl.2006.10.097
BindingDB Entry DOI: 10.7270/Q23T9J36 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50375788
(CHEMBL257697)Show SMILES NC(CO)C(=O)NCCOc1cc(-c2ccccc2Cl)c2ccc(=O)n(-c3c(Cl)cccc3Cl)c2c1 |w:1.0,(30.03,-41.17,;28.7,-41.95,;28.71,-43.49,;30.05,-44.25,;27.36,-41.18,;26.03,-41.96,;27.35,-39.63,;26.01,-38.88,;24.67,-39.65,;23.34,-38.88,;22,-39.66,;22.01,-41.2,;20.68,-41.97,;20.68,-43.51,;19.34,-44.28,;19.34,-45.82,;20.67,-46.59,;22.01,-45.81,;22.01,-44.28,;23.34,-43.5,;19.35,-41.2,;18.02,-41.97,;16.69,-41.21,;16.69,-39.66,;15.35,-38.9,;18.02,-38.89,;18.02,-37.34,;16.7,-36.58,;15.36,-37.35,;16.69,-35.04,;18.03,-34.26,;19.37,-35.03,;19.37,-36.57,;20.7,-37.34,;19.35,-39.66,;20.68,-38.9,)| Show InChI InChI=1S/C26H22Cl3N3O4/c27-19-5-2-1-4-16(19)18-12-15(36-11-10-31-26(35)22(30)14-33)13-23-17(18)8-9-24(34)32(23)25-20(28)6-3-7-21(25)29/h1-9,12-13,22,33H,10-11,14,30H2,(H,31,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of p38-alpha by whole blood assay |
Bioorg Med Chem Lett 18: 2222-6 (2008)
Article DOI: 10.1016/j.bmcl.2006.10.097
BindingDB Entry DOI: 10.7270/Q23T9J36 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50375791
(CHEMBL401957)Show SMILES Clc1cccc(Cl)c1-n1c2cccc(-c3ccccn3)c2ccc1=O |(22.18,4.26,;23.51,5.03,;23.51,6.57,;24.84,7.35,;26.18,6.58,;26.18,5.04,;27.51,4.27,;24.83,4.27,;24.83,2.72,;26.16,1.95,;27.49,2.71,;28.82,1.95,;28.82,.41,;27.49,-.36,;27.49,-1.9,;26.15,-2.67,;26.15,-4.21,;27.48,-4.98,;28.82,-4.2,;28.82,-2.67,;26.16,.41,;24.83,-.36,;23.5,.4,;23.5,1.95,;22.17,2.71,)| Show InChI InChI=1S/C20H12Cl2N2O/c21-15-6-4-7-16(22)20(15)24-18-9-3-5-13(14(18)10-11-19(24)25)17-8-1-2-12-23-17/h1-12H | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 350 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha |
Bioorg Med Chem Lett 18: 2222-6 (2008)
Article DOI: 10.1016/j.bmcl.2006.10.097
BindingDB Entry DOI: 10.7270/Q23T9J36 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50375800
(CHEMBL401754)Show SMILES Clc1cccc(Cl)c1-n1c2cccc(-c3cccnc3)c2ccc1=O |(-8.58,-9.18,;-7.25,-8.41,;-7.25,-6.87,;-5.91,-6.09,;-4.57,-6.86,;-4.58,-8.4,;-3.24,-9.18,;-5.92,-9.18,;-5.92,-10.72,;-4.59,-11.5,;-3.27,-10.73,;-1.94,-11.49,;-1.93,-13.04,;-3.26,-13.81,;-3.26,-15.35,;-4.6,-16.11,;-4.61,-17.66,;-3.27,-18.43,;-1.93,-17.65,;-1.93,-16.11,;-4.59,-13.04,;-5.92,-13.8,;-7.25,-13.04,;-7.25,-11.5,;-8.59,-10.73,)| Show InChI InChI=1S/C20H12Cl2N2O/c21-16-6-2-7-17(22)20(16)24-18-8-1-5-14(13-4-3-11-23-12-13)15(18)9-10-19(24)25/h1-12H | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 460 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha |
Bioorg Med Chem Lett 18: 2222-6 (2008)
Article DOI: 10.1016/j.bmcl.2006.10.097
BindingDB Entry DOI: 10.7270/Q23T9J36 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50375799
(CHEMBL270611)Show SMILES NC1(CC1)C(=O)NCCOc1cc(-c2ccccc2Cl)c2ccc(=O)n(-c3c(Cl)cccc3Cl)c2c1 |(29.39,-28.26,;29.39,-26.72,;30.72,-25.94,;30.73,-27.48,;28.04,-25.99,;26.72,-26.8,;27.99,-24.45,;26.65,-23.69,;25.32,-24.47,;23.98,-23.7,;22.65,-24.48,;22.65,-26.02,;21.32,-26.79,;21.32,-28.33,;19.98,-29.1,;19.98,-30.64,;21.32,-31.41,;22.66,-30.63,;22.65,-29.09,;23.98,-28.32,;19.99,-26.02,;18.67,-26.79,;17.34,-26.02,;17.34,-24.48,;16,-23.72,;18.67,-23.7,;18.67,-22.16,;17.34,-21.39,;16.01,-22.17,;17.34,-19.86,;18.68,-19.08,;20.01,-19.85,;20.01,-21.39,;21.35,-22.16,;20,-24.48,;21.32,-23.72,)| Show InChI InChI=1S/C27H22Cl3N3O3/c28-20-5-2-1-4-17(20)19-14-16(36-13-12-32-26(35)27(31)10-11-27)15-23-18(19)8-9-24(34)33(23)25-21(29)6-3-7-22(25)30/h1-9,14-15H,10-13,31H2,(H,32,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.01E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of p38-alpha by whole blood assay |
Bioorg Med Chem Lett 18: 2222-6 (2008)
Article DOI: 10.1016/j.bmcl.2006.10.097
BindingDB Entry DOI: 10.7270/Q23T9J36 |
More data for this
Ligand-Target Pair | |
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