Found 69 hits with Last Name = 'aiguadé' and Initial = 'j' 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)) | BDBM50356004
(CHEMBL1911339)Show SMILES Cc1ccc2c(NC3CC3)noc2c1-c1ccc2c(NC(=O)C22CCC(F)(F)CC2)c1 Show InChI InChI=1S/C24H23F2N3O2/c1-13-2-6-16-20(31-29-21(16)27-15-4-5-15)19(13)14-3-7-17-18(12-14)28-22(30)23(17)8-10-24(25,26)11-9-23/h2-3,6-7,12,15H,4-5,8-11H2,1H3,(H,27,29)(H,28,30) | 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 | 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition of human p38alpha using biotinylated ATF2 as substrate preincubated for 1 hr measured after 1 hr by FRET assay |
Bioorg Med Chem Lett 21: 6253-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.006
BindingDB Entry DOI: 10.7270/Q25B02W3 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50356003
(CHEMBL1911338)Show SMILES Cc1ccc2c(NC3CC3)noc2c1-c1ccc2c(NC(=O)C22CCOCC2)c1 Show InChI InChI=1S/C23H23N3O3/c1-13-2-6-16-20(29-26-21(16)24-15-4-5-15)19(13)14-3-7-17-18(12-14)25-22(27)23(17)8-10-28-11-9-23/h2-3,6-7,12,15H,4-5,8-11H2,1H3,(H,24,26)(H,25,27) | 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 | 0.160 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition of human p38alpha using biotinylated ATF2 as substrate preincubated for 1 hr measured after 1 hr by FRET assay |
Bioorg Med Chem Lett 21: 6253-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.006
BindingDB Entry DOI: 10.7270/Q25B02W3 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50356002
(CHEMBL1911337)Show SMILES Cc1ccc2c(NC3CC3)noc2c1-c1ccc2c(NC(=O)C2(C)C)c1 Show InChI InChI=1S/C21H21N3O2/c1-11-4-8-14-18(26-24-19(14)22-13-6-7-13)17(11)12-5-9-15-16(10-12)23-20(25)21(15,2)3/h4-5,8-10,13H,6-7H2,1-3H3,(H,22,24)(H,23,25) | 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 | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition of human p38alpha using biotinylated ATF2 as substrate preincubated for 1 hr measured after 1 hr by FRET assay |
Bioorg Med Chem Lett 21: 6253-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.006
BindingDB Entry DOI: 10.7270/Q25B02W3 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 13
(Homo sapiens (Human)) | BDBM50420761
(CHEMBL2087507)Show SMILES Cc1c(F)cc(cc1-c1ccn2c(nnc2c1)C1(C)CC1)C(=O)NC1CC1 Show InChI InChI=1S/C21H21FN4O/c1-12-16(9-14(10-17(12)22)19(27)23-15-3-4-15)13-5-8-26-18(11-13)24-25-20(26)21(2)6-7-21/h5,8-11,15H,3-4,6-7H2,1-2H3,(H,23,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.640 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha |
Bioorg Med Chem Lett 22: 3431-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.099
BindingDB Entry DOI: 10.7270/Q2348MNX |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 13
(Homo sapiens (Human)) | BDBM50420769
(CHEMBL2087515)Show SMILES Cc1c(F)cc(cc1-c1ccn2c(nnc2c1)-c1ccncc1Cl)C(=O)NC1CC1 Show InChI InChI=1S/C22H17ClFN5O/c1-12-17(8-14(9-19(12)24)22(30)26-15-2-3-15)13-5-7-29-20(10-13)27-28-21(29)16-4-6-25-11-18(16)23/h4-11,15H,2-3H2,1H3,(H,26,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.830 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha |
Bioorg Med Chem Lett 22: 3431-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.099
BindingDB Entry DOI: 10.7270/Q2348MNX |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50355999
(CHEMBL1911334)Show SMILES Cc1ccc2c(NC3CC3)noc2c1-c1ccc2c(NC(=O)C22CCCC2)c1 Show InChI InChI=1S/C23H23N3O2/c1-13-4-8-16-20(28-26-21(16)24-15-6-7-15)19(13)14-5-9-17-18(12-14)25-22(27)23(17)10-2-3-11-23/h4-5,8-9,12,15H,2-3,6-7,10-11H2,1H3,(H,24,26)(H,25,27) | 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 |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition of human p38alpha using biotinylated ATF2 as substrate preincubated for 1 hr measured after 1 hr by FRET assay |
Bioorg Med Chem Lett 21: 6253-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.006
BindingDB Entry DOI: 10.7270/Q25B02W3 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50356007
(CHEMBL1911342)Show SMILES Cc1ccc2c(N)noc2c1-c1ccc2c(NC(=O)C22CCC(F)(F)CC2)c1 Show InChI InChI=1S/C21H19F2N3O2/c1-11-2-4-13-17(28-26-18(13)24)16(11)12-3-5-14-15(10-12)25-19(27)20(14)6-8-21(22,23)9-7-20/h2-5,10H,6-9H2,1H3,(H2,24,26)(H,25,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition of human p38alpha using biotinylated ATF2 as substrate preincubated for 1 hr measured after 1 hr by FRET assay |
Bioorg Med Chem Lett 21: 6253-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.006
BindingDB Entry DOI: 10.7270/Q25B02W3 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 13
(Homo sapiens (Human)) | BDBM50420767
(CHEMBL2087513)Show SMILES Cc1c(F)cc(cc1-c1ccn2c(nnc2c1)-c1ccccc1Cl)C(=O)NC1CC1 Show InChI InChI=1S/C23H18ClFN4O/c1-13-18(10-15(11-20(13)25)23(30)26-16-6-7-16)14-8-9-29-21(12-14)27-28-22(29)17-4-2-3-5-19(17)24/h2-5,8-12,16H,6-7H2,1H3,(H,26,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha |
Bioorg Med Chem Lett 22: 3431-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.099
BindingDB Entry DOI: 10.7270/Q2348MNX |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 13
(Homo sapiens (Human)) | BDBM50420746
(CHEMBL2087524)Show SMILES CN(C)C(C)(C)c1nnc2cc(ccn12)-c1cc(cc(F)c1C)C(=O)NC1CC1 Show InChI InChI=1S/C22H26FN5O/c1-13-17(10-15(11-18(13)23)20(29)24-16-6-7-16)14-8-9-28-19(12-14)25-26-21(28)22(2,3)27(4)5/h8-12,16H,6-7H2,1-5H3,(H,24,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha |
Bioorg Med Chem Lett 22: 3431-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.099
BindingDB Entry DOI: 10.7270/Q2348MNX |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 13
(Homo sapiens (Human)) | BDBM50420763
(CHEMBL2087509)Show SMILES Cc1c(F)cc(cc1-c1ccn2c(nnc2c1)C1CCC1)C(=O)NC1CC1 Show InChI InChI=1S/C21H21FN4O/c1-12-17(9-15(10-18(12)22)21(27)23-16-5-6-16)14-7-8-26-19(11-14)24-25-20(26)13-3-2-4-13/h7-11,13,16H,2-6H2,1H3,(H,23,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha |
Bioorg Med Chem Lett 22: 3431-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.099
BindingDB Entry DOI: 10.7270/Q2348MNX |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50355997
(CHEMBL1911332 | US8772288, 63)Show SMILES Cc1nnc([nH]1)-c1ccc(C)c(c1)-c1ccc2c(NC(=O)C22CCC(F)(F)CC2)c1 Show InChI InChI=1S/C23H22F2N4O/c1-13-3-4-16(20-26-14(2)28-29-20)11-17(13)15-5-6-18-19(12-15)27-21(30)22(18)7-9-23(24,25)10-8-22/h3-6,11-12H,7-10H2,1-2H3,(H,27,30)(H,26,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition of human p38alpha using biotinylated ATF2 as substrate preincubated for 1 hr measured after 1 hr by FRET assay |
Bioorg Med Chem Lett 21: 6253-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.006
BindingDB Entry DOI: 10.7270/Q25B02W3 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 13
(Homo sapiens (Human)) | BDBM50420756
(CHEMBL2087501)Show SMILES Cc1c(F)cc(cc1-c1ccn2c(nnc2c1)C(C)(C)C)C(=O)NC1CC1 Show InChI InChI=1S/C21H23FN4O/c1-12-16(9-14(10-17(12)22)19(27)23-15-5-6-15)13-7-8-26-18(11-13)24-25-20(26)21(2,3)4/h7-11,15H,5-6H2,1-4H3,(H,23,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha |
Bioorg Med Chem Lett 22: 3431-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.099
BindingDB Entry DOI: 10.7270/Q2348MNX |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 13
(Homo sapiens (Human)) | BDBM50420758
(CHEMBL2087503)Show SMILES CC(C)c1nnc2cc(ccn12)-c1cc(cc(F)c1C)C(=O)NC1CC1 Show InChI InChI=1S/C20H21FN4O/c1-11(2)19-24-23-18-10-13(6-7-25(18)19)16-8-14(9-17(21)12(16)3)20(26)22-15-4-5-15/h6-11,15H,4-5H2,1-3H3,(H,22,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha |
Bioorg Med Chem Lett 22: 3431-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.099
BindingDB Entry DOI: 10.7270/Q2348MNX |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 13
(Homo sapiens (Human)) | BDBM50420747
(CHEMBL2087526)Show SMILES Cc1c(F)cc(cc1-c1ccn2c(nnc2c1)C(C)(C)O)C(=O)NC1CC1 Show InChI InChI=1S/C20H21FN4O2/c1-11-15(8-13(9-16(11)21)18(26)22-14-4-5-14)12-6-7-25-17(10-12)23-24-19(25)20(2,3)27/h6-10,14,27H,4-5H2,1-3H3,(H,22,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha |
Bioorg Med Chem Lett 22: 3431-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.099
BindingDB Entry DOI: 10.7270/Q2348MNX |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50356001
(CHEMBL1911336)Show SMILES Clc1cc2c(NC(=O)C22CCCC2)cc1-c1cccc2c(NC3CC3)noc12 Show InChI InChI=1S/C22H20ClN3O2/c23-17-11-16-18(25-21(27)22(16)8-1-2-9-22)10-15(17)13-4-3-5-14-19(13)28-26-20(14)24-12-6-7-12/h3-5,10-12H,1-2,6-9H2,(H,24,26)(H,25,27) | 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 |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition of human p38alpha using biotinylated ATF2 as substrate preincubated for 1 hr measured after 1 hr by FRET assay |
Bioorg Med Chem Lett 21: 6253-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.006
BindingDB Entry DOI: 10.7270/Q25B02W3 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50355998
(CHEMBL1911333 | US8772288, 67)Show SMILES Cc1nnc([nH]1)-c1ccc(C)c(c1)-c1ccc2c(NC(=O)C22CCN(CC2)S(C)(=O)=O)c1 Show InChI InChI=1S/C23H25N5O3S/c1-14-4-5-17(21-24-15(2)26-27-21)12-18(14)16-6-7-19-20(13-16)25-22(29)23(19)8-10-28(11-9-23)32(3,30)31/h4-7,12-13H,8-11H2,1-3H3,(H,25,29)(H,24,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 4.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition of human p38alpha using biotinylated ATF2 as substrate preincubated for 1 hr measured after 1 hr by FRET assay |
Bioorg Med Chem Lett 21: 6253-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.006
BindingDB Entry DOI: 10.7270/Q25B02W3 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50356006
(CHEMBL1911341)Show SMILES Cc1ccc2c(N)noc2c1-c1ccc2c(NC(=O)C22CCOCC2)c1 Show InChI InChI=1S/C20H19N3O3/c1-11-2-4-13-17(26-23-18(13)21)16(11)12-3-5-14-15(10-12)22-19(24)20(14)6-8-25-9-7-20/h2-5,10H,6-9H2,1H3,(H2,21,23)(H,22,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition of human p38alpha using biotinylated ATF2 as substrate preincubated for 1 hr measured after 1 hr by FRET assay |
Bioorg Med Chem Lett 21: 6253-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.006
BindingDB Entry DOI: 10.7270/Q25B02W3 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 13
(Homo sapiens (Human)) | BDBM50420740
(CHEMBL2087742)Show SMILES Cc1c(F)cc(cc1-c1c(F)cn2c(nnc2c1F)C(C)(C)C)C(=O)NC1CC1 |(-7.31,-33.73,;-5.98,-32.96,;-5.98,-31.41,;-7.31,-30.64,;-4.65,-30.64,;-3.31,-31.41,;-3.31,-32.96,;-4.64,-33.73,;-4.64,-35.27,;-3.32,-36.03,;-1.98,-35.26,;-3.32,-37.58,;-4.66,-38.34,;-4.99,-39.84,;-6.52,-39.99,;-7.13,-38.59,;-5.99,-37.57,;-5.99,-36.03,;-7.32,-35.26,;-4.18,-41.14,;-4.91,-42.5,;-2.64,-41.09,;-3.42,-42.47,;-1.98,-30.63,;-1.99,-29.09,;-.64,-31.4,;.69,-30.62,;2.22,-30.62,;1.45,-29.29,)| Show InChI InChI=1S/C21H21F3N4O/c1-10-13(7-11(8-14(10)22)19(29)25-12-5-6-12)16-15(23)9-28-18(17(16)24)26-27-20(28)21(2,3)4/h7-9,12H,5-6H2,1-4H3,(H,25,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha |
Bioorg Med Chem Lett 22: 3431-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.099
BindingDB Entry DOI: 10.7270/Q2348MNX |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 13
(Homo sapiens (Human)) | BDBM50420766
(CHEMBL2087512)Show SMILES Cc1ccc(cc1-c1ccn2c(nnc2c1)-c1ccccc1Cl)C(=O)NC1CC1 Show InChI InChI=1S/C23H19ClN4O/c1-14-6-7-16(23(29)25-17-8-9-17)12-19(14)15-10-11-28-21(13-15)26-27-22(28)18-4-2-3-5-20(18)24/h2-7,10-13,17H,8-9H2,1H3,(H,25,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha |
Bioorg Med Chem Lett 22: 3431-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.099
BindingDB Entry DOI: 10.7270/Q2348MNX |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 13
(Homo sapiens (Human)) | BDBM50420749
(CHEMBL2087743)Show SMILES CC(C)c1nnc2c(F)c(c(F)cn12)-c1cc(cc(F)c1C)C(=O)NC1CC1 |(6.05,-42.79,;6.78,-41.43,;8.32,-41.38,;5.97,-40.13,;4.44,-40.28,;3.82,-38.87,;4.97,-37.85,;4.97,-36.32,;3.64,-35.55,;6.31,-35.56,;7.64,-36.32,;8.98,-35.55,;7.63,-37.86,;6.3,-38.63,;6.32,-34.02,;7.65,-33.25,;7.65,-31.7,;6.31,-30.93,;4.98,-31.7,;3.65,-30.93,;4.98,-33.25,;3.65,-34.02,;8.98,-30.92,;8.97,-29.38,;10.31,-31.69,;11.65,-30.91,;13.18,-30.91,;12.41,-29.58,)| Show InChI InChI=1S/C20H19F3N4O/c1-9(2)18-25-26-19-17(23)16(15(22)8-27(18)19)13-6-11(7-14(21)10(13)3)20(28)24-12-4-5-12/h6-9,12H,4-5H2,1-3H3,(H,24,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha |
Bioorg Med Chem Lett 22: 3431-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.099
BindingDB Entry DOI: 10.7270/Q2348MNX |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 13
(Homo sapiens (Human)) | BDBM50420773
(CHEMBL2087505)Show SMILES Cc1c(F)cc(cc1-c1ccn2c(nnc2c1)C1CC1)C(=O)NC1CC1 Show InChI InChI=1S/C20H19FN4O/c1-11-16(8-14(9-17(11)21)20(26)22-15-4-5-15)13-6-7-25-18(10-13)23-24-19(25)12-2-3-12/h6-10,12,15H,2-5H2,1H3,(H,22,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha |
Bioorg Med Chem Lett 22: 3431-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.099
BindingDB Entry DOI: 10.7270/Q2348MNX |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50355989
(CHEMBL1911193 | US8772288, 53)Show SMILES Cc1nnc([nH]1)-c1ccc(C)c(c1)-c1ccc2c(NC(=O)C22CCCC2)c1 Show InChI InChI=1S/C22H22N4O/c1-13-5-6-16(20-23-14(2)25-26-20)11-17(13)15-7-8-18-19(12-15)24-21(27)22(18)9-3-4-10-22/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,24,27)(H,23,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 7.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition of human p38alpha using biotinylated ATF2 as substrate preincubated for 1 hr measured after 1 hr by FRET assay |
Bioorg Med Chem Lett 21: 6253-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.006
BindingDB Entry DOI: 10.7270/Q25B02W3 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50355990
(CHEMBL1911194 | US8772288, 59)Show SMILES Cc1nnc([nH]1)-c1ccc(C)c(c1)-c1ccc2c(NC(=O)C22CCOCC2)c1 Show InChI InChI=1S/C22H22N4O2/c1-13-3-4-16(20-23-14(2)25-26-20)11-17(13)15-5-6-18-19(12-15)24-21(27)22(18)7-9-28-10-8-22/h3-6,11-12H,7-10H2,1-2H3,(H,24,27)(H,23,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 7.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition of human p38alpha using biotinylated ATF2 as substrate preincubated for 1 hr measured after 1 hr by FRET assay |
Bioorg Med Chem Lett 21: 6253-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.006
BindingDB Entry DOI: 10.7270/Q25B02W3 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50355993
(CHEMBL1911197)Show SMILES Cc1ccc(cc1-c1ccc2c(NC(=O)C22CCCC2)c1)-c1nnc[nH]1 Show InChI InChI=1S/C21H20N4O/c1-13-4-5-15(19-22-12-23-25-19)10-16(13)14-6-7-17-18(11-14)24-20(26)21(17)8-2-3-9-21/h4-7,10-12H,2-3,8-9H2,1H3,(H,24,26)(H,22,23,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition of human p38alpha using biotinylated ATF2 as substrate preincubated for 1 hr measured after 1 hr by FRET assay |
Bioorg Med Chem Lett 21: 6253-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.006
BindingDB Entry DOI: 10.7270/Q25B02W3 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 13
(Homo sapiens (Human)) | BDBM50420744
(CHEMBL2087522)Show SMILES COC(C)(C)c1nnc2cc(ccn12)-c1cc(cc(F)c1C)C(=O)NC1CC1 Show InChI InChI=1S/C21H23FN4O2/c1-12-16(9-14(10-17(12)22)19(27)23-15-5-6-15)13-7-8-26-18(11-13)24-25-20(26)21(2,3)28-4/h7-11,15H,5-6H2,1-4H3,(H,23,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha |
Bioorg Med Chem Lett 22: 3431-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.099
BindingDB Entry DOI: 10.7270/Q2348MNX |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 13
(Homo sapiens (Human)) | BDBM50420750
(CHEMBL2087744)Show SMILES Cc1c(F)cc(cc1-c1c(F)cn2c(nnc2c1F)C1CC1)C(=O)NC1CC1 |(17.06,-33.61,;18.39,-32.84,;18.39,-31.3,;17.06,-30.53,;19.72,-30.53,;21.06,-31.29,;21.06,-32.84,;19.73,-33.62,;19.73,-35.16,;21.05,-35.92,;22.39,-35.15,;21.04,-37.46,;19.71,-38.23,;19.38,-39.73,;17.85,-39.88,;17.23,-38.47,;18.38,-37.45,;18.38,-35.92,;17.05,-35.14,;20.19,-41.03,;20.24,-42.56,;21.54,-41.75,;22.39,-30.52,;22.38,-28.98,;23.73,-31.28,;25.06,-30.51,;26.59,-30.51,;25.82,-29.18,)| Show InChI InChI=1S/C20H17F3N4O/c1-9-13(6-11(7-14(9)21)20(28)24-12-4-5-12)16-15(22)8-27-18(10-2-3-10)25-26-19(27)17(16)23/h6-8,10,12H,2-5H2,1H3,(H,24,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha |
Bioorg Med Chem Lett 22: 3431-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.099
BindingDB Entry DOI: 10.7270/Q2348MNX |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 13
(Homo sapiens (Human)) | BDBM50420752
(CHEMBL2087746)Show SMILES Cc1c(F)cc(cc1-c1c(F)cn2c(nnc2c1F)C(C)(C)N)C(=O)NC1CC1 |(3.97,.97,;5.3,1.74,;5.3,3.28,;3.97,4.05,;6.63,4.05,;7.97,3.29,;7.97,1.74,;6.63,.97,;6.63,-.57,;7.96,-1.33,;9.29,-.56,;7.95,-2.88,;6.62,-3.65,;6.29,-5.15,;4.76,-5.3,;4.14,-3.89,;5.29,-2.87,;5.29,-1.34,;3.96,-.56,;7.09,-6.45,;6.37,-7.8,;8.63,-6.4,;7.86,-7.77,;9.3,4.06,;9.29,5.6,;10.63,3.3,;11.96,4.07,;13.5,4.07,;12.73,5.4,)| Show InChI InChI=1S/C20H20F3N5O/c1-9-12(6-10(7-13(9)21)18(29)25-11-4-5-11)15-14(22)8-28-17(16(15)23)26-27-19(28)20(2,3)24/h6-8,11H,4-5,24H2,1-3H3,(H,25,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha |
Bioorg Med Chem Lett 22: 3431-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.099
BindingDB Entry DOI: 10.7270/Q2348MNX |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 13
(Homo sapiens (Human)) | BDBM50420760
(CHEMBL2087506)Show SMILES Cc1ccc(cc1-c1ccn2c(nnc2c1)C1(C)CC1)C(=O)NC1CC1 Show InChI InChI=1S/C21H22N4O/c1-13-3-4-15(19(26)22-16-5-6-16)11-17(13)14-7-10-25-18(12-14)23-24-20(25)21(2)8-9-21/h3-4,7,10-12,16H,5-6,8-9H2,1-2H3,(H,22,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha |
Bioorg Med Chem Lett 22: 3431-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.099
BindingDB Entry DOI: 10.7270/Q2348MNX |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 13
(Homo sapiens (Human)) | BDBM50420754
(CHEMBL2087499)Show SMILES Cc1ccc(cc1-c1ccc2c(noc2c1)N1CCCCC1)C(=O)NC1CC1 Show InChI InChI=1S/C23H25N3O2/c1-15-5-6-17(23(27)24-18-8-9-18)13-20(15)16-7-10-19-21(14-16)28-25-22(19)26-11-3-2-4-12-26/h5-7,10,13-14,18H,2-4,8-9,11-12H2,1H3,(H,24,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha |
Bioorg Med Chem Lett 22: 3431-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.099
BindingDB Entry DOI: 10.7270/Q2348MNX |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 13
(Homo sapiens (Human)) | BDBM50420753
(CHEMBL2087747)Show SMILES CN(C)C(C)(C)c1nnc2c(F)c(c(F)cn12)-c1cc(cc(F)c1C)C(=O)NC1CC1 |(22.02,-8.75,;22.79,-7.42,;24.33,-7.42,;22.03,-6.1,;21.3,-7.45,;23.57,-6.05,;21.22,-4.8,;19.69,-4.95,;19.08,-3.54,;20.22,-2.52,;20.22,-.99,;18.89,-.21,;21.57,-.22,;22.89,-.98,;24.23,-.21,;22.89,-2.53,;21.55,-3.3,;21.57,1.32,;22.9,2.09,;22.9,3.64,;21.56,4.4,;20.24,3.63,;18.9,4.4,;20.23,2.09,;18.9,1.32,;24.23,4.41,;24.22,5.95,;25.57,3.65,;26.9,4.42,;28.44,4.42,;27.66,5.75,)| Show InChI InChI=1S/C22H24F3N5O/c1-11-14(8-12(9-15(11)23)20(31)26-13-6-7-13)17-16(24)10-30-19(18(17)25)27-28-21(30)22(2,3)29(4)5/h8-10,13H,6-7H2,1-5H3,(H,26,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha |
Bioorg Med Chem Lett 22: 3431-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.099
BindingDB Entry DOI: 10.7270/Q2348MNX |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 13
(Homo sapiens (Human)) | BDBM50420743
(CHEMBL2087521)Show SMILES Cc1c(F)cc(cc1-c1ccn2c(nnc2c1)C(C)(C)N)C(=O)NC1CC1 Show InChI InChI=1S/C20H22FN5O/c1-11-15(8-13(9-16(11)21)18(27)23-14-4-5-14)12-6-7-26-17(10-12)24-25-19(26)20(2,3)22/h6-10,14H,4-5,22H2,1-3H3,(H,23,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 15.4 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha |
Bioorg Med Chem Lett 22: 3431-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.099
BindingDB Entry DOI: 10.7270/Q2348MNX |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 13
(Homo sapiens (Human)) | BDBM50420739
(CHEMBL2087500)Show SMILES Cc1ccc(cc1-c1ccn2c(nnc2c1)C(C)(C)C)C(=O)NC1CC1 Show InChI InChI=1S/C21H24N4O/c1-13-5-6-15(19(26)22-16-7-8-16)11-17(13)14-9-10-25-18(12-14)23-24-20(25)21(2,3)4/h5-6,9-12,16H,7-8H2,1-4H3,(H,22,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha |
Bioorg Med Chem Lett 22: 3431-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.099
BindingDB Entry DOI: 10.7270/Q2348MNX |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 13
(Homo sapiens (Human)) | BDBM50420774
(CHEMBL2087525)Show SMILES Cc1c(F)cc(cc1-c1ccn2c(nnc2c1)C(C)(C)NS(C)(=O)=O)C(=O)NC1CC1 Show InChI InChI=1S/C21H24FN5O3S/c1-12-16(9-14(10-17(12)22)19(28)23-15-5-6-15)13-7-8-27-18(11-13)24-25-20(27)21(2,3)26-31(4,29)30/h7-11,15,26H,5-6H2,1-4H3,(H,23,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha |
Bioorg Med Chem Lett 22: 3431-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.099
BindingDB Entry DOI: 10.7270/Q2348MNX |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50355995
(CHEMBL1909657 | US8772288, 54)Show SMILES Cc1nnc([nH]1)-c1ccc(C)c(c1)-c1ccc2c(NC(=O)C22CCC2)c1 Show InChI InChI=1S/C21H20N4O/c1-12-4-5-15(19-22-13(2)24-25-19)10-16(12)14-6-7-17-18(11-14)23-20(26)21(17)8-3-9-21/h4-7,10-11H,3,8-9H2,1-2H3,(H,23,26)(H,22,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition of human p38alpha using biotinylated ATF2 as substrate preincubated for 1 hr measured after 1 hr by FRET assay |
Bioorg Med Chem Lett 21: 6253-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.006
BindingDB Entry DOI: 10.7270/Q25B02W3 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 13
(Homo sapiens (Human)) | BDBM50420771
(CHEMBL2087517)Show SMILES COC(C)c1nnc2cc(ccn12)-c1cc(cc(F)c1C)C(=O)NC1CC1 Show InChI InChI=1S/C20H21FN4O2/c1-11-16(8-14(9-17(11)21)20(26)22-15-4-5-15)13-6-7-25-18(10-13)23-24-19(25)12(2)27-3/h6-10,12,15H,4-5H2,1-3H3,(H,22,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha |
Bioorg Med Chem Lett 22: 3431-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.099
BindingDB Entry DOI: 10.7270/Q2348MNX |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 13
(Homo sapiens (Human)) | BDBM50420762
(CHEMBL2087508)Show SMILES Cc1ccc(cc1-c1ccn2c(nnc2c1)C1CCC1)C(=O)NC1CC1 Show InChI InChI=1S/C21H22N4O/c1-13-5-6-16(21(26)22-17-7-8-17)11-18(13)15-9-10-25-19(12-15)23-24-20(25)14-3-2-4-14/h5-6,9-12,14,17H,2-4,7-8H2,1H3,(H,22,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha |
Bioorg Med Chem Lett 22: 3431-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.099
BindingDB Entry DOI: 10.7270/Q2348MNX |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 13
(Homo sapiens (Human)) | BDBM50420751
(CHEMBL2087745)Show SMILES Cc1c(F)cc(cc1-c1c(F)cn2c(nnc2c1F)-c1ccncc1Cl)C(=O)NC1CC1 |(-8.4,1.03,;-7.07,1.8,;-7.06,3.35,;-8.4,4.12,;-5.73,4.12,;-4.4,3.35,;-4.39,1.8,;-5.73,1.03,;-5.73,-.51,;-4.4,-1.27,;-3.07,-.5,;-4.41,-2.82,;-5.75,-3.59,;-6.08,-5.09,;-7.61,-5.24,;-8.22,-3.83,;-7.08,-2.81,;-7.08,-1.27,;-8.41,-.5,;-5.27,-6.39,;-3.74,-6.33,;-2.93,-7.63,;-3.65,-8.99,;-5.19,-9.04,;-6,-7.74,;-7.54,-7.78,;-3.07,4.13,;-3.07,5.67,;-1.73,3.37,;-.4,4.14,;1.14,4.14,;.37,5.47,)| Show InChI InChI=1S/C22H15ClF3N5O/c1-10-14(6-11(7-16(10)24)22(32)28-12-2-3-12)18-17(25)9-31-20(29-30-21(31)19(18)26)13-4-5-27-8-15(13)23/h4-9,12H,2-3H2,1H3,(H,28,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha |
Bioorg Med Chem Lett 22: 3431-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.099
BindingDB Entry DOI: 10.7270/Q2348MNX |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 13
(Homo sapiens (Human)) | BDBM50420759
(CHEMBL2087504)Show SMILES Cc1ccc(cc1-c1ccn2c(nnc2c1)C1CC1)C(=O)NC1CC1 Show InChI InChI=1S/C20H20N4O/c1-12-2-3-15(20(25)21-16-6-7-16)10-17(12)14-8-9-24-18(11-14)22-23-19(24)13-4-5-13/h2-3,8-11,13,16H,4-7H2,1H3,(H,21,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha |
Bioorg Med Chem Lett 22: 3431-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.099
BindingDB Entry DOI: 10.7270/Q2348MNX |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 13
(Homo sapiens (Human)) | BDBM50420757
(CHEMBL2087502)Show SMILES CC(C)c1nnc2cc(ccn12)-c1cc(ccc1C)C(=O)NC1CC1 Show InChI InChI=1S/C20H22N4O/c1-12(2)19-23-22-18-11-14(8-9-24(18)19)17-10-15(5-4-13(17)3)20(25)21-16-6-7-16/h4-5,8-12,16H,6-7H2,1-3H3,(H,21,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha |
Bioorg Med Chem Lett 22: 3431-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.099
BindingDB Entry DOI: 10.7270/Q2348MNX |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 13
(Homo sapiens (Human)) | BDBM50420765
(CHEMBL2087511)Show SMILES Cc1c(F)cc(cc1-c1ccn2c(nnc2c1)C1CCOCC1)C(=O)NC1CC1 Show InChI InChI=1S/C22H23FN4O2/c1-13-18(10-16(11-19(13)23)22(28)24-17-2-3-17)15-4-7-27-20(12-15)25-26-21(27)14-5-8-29-9-6-14/h4,7,10-12,14,17H,2-3,5-6,8-9H2,1H3,(H,24,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha |
Bioorg Med Chem Lett 22: 3431-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.099
BindingDB Entry DOI: 10.7270/Q2348MNX |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50355986
(CHEMBL1911190 | US8772288, 70)Show SMILES Cc1nnc(o1)-c1ccc(C)c(c1)-c1ccc2c(NC(=O)C22CCCC2)c1 Show InChI InChI=1S/C22H21N3O2/c1-13-5-6-16(20-25-24-14(2)27-20)11-17(13)15-7-8-18-19(12-15)23-21(26)22(18)9-3-4-10-22/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,23,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition of human p38alpha using biotinylated ATF2 as substrate preincubated for 1 hr measured after 1 hr by FRET assay |
Bioorg Med Chem Lett 21: 6253-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.006
BindingDB Entry DOI: 10.7270/Q25B02W3 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50356008
(CHEMBL1911344)Show SMILES Cc1ccn2c(N)nnc2c1-c1ccc2c(NC(=O)C22CCCC2)c1 Show InChI InChI=1S/C19H19N5O/c1-11-6-9-24-16(22-23-18(24)20)15(11)12-4-5-13-14(10-12)21-17(25)19(13)7-2-3-8-19/h4-6,9-10H,2-3,7-8H2,1H3,(H2,20,23)(H,21,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition of human p38alpha using biotinylated ATF2 as substrate preincubated for 1 hr measured after 1 hr by FRET assay |
Bioorg Med Chem Lett 21: 6253-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.006
BindingDB Entry DOI: 10.7270/Q25B02W3 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50356005
(CHEMBL1911340)Show InChI InChI=1S/C18H17N3O2/c1-9-4-6-11-15(23-21-16(11)19)14(9)10-5-7-12-13(8-10)20-17(22)18(12,2)3/h4-8H,1-3H3,(H2,19,21)(H,20,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition of human p38alpha using biotinylated ATF2 as substrate preincubated for 1 hr measured after 1 hr by FRET assay |
Bioorg Med Chem Lett 21: 6253-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.006
BindingDB Entry DOI: 10.7270/Q25B02W3 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50356000
(CHEMBL1911335)Show SMILES O=C1Nc2cc(ccc2C11CCCC1)-c1cccc2c(NC3CC3)noc12 Show InChI InChI=1S/C22H21N3O2/c26-21-22(10-1-2-11-22)17-9-6-13(12-18(17)24-21)15-4-3-5-16-19(15)27-25-20(16)23-14-7-8-14/h3-6,9,12,14H,1-2,7-8,10-11H2,(H,23,25)(H,24,26) | 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 | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition of human p38alpha using biotinylated ATF2 as substrate preincubated for 1 hr measured after 1 hr by FRET assay |
Bioorg Med Chem Lett 21: 6253-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.006
BindingDB Entry DOI: 10.7270/Q25B02W3 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 13
(Homo sapiens (Human)) | BDBM50420768
(CHEMBL2087514)Show SMILES Cc1ccc(cc1-c1ccn2c(nnc2c1)-c1ccncc1Cl)C(=O)NC1CC1 Show InChI InChI=1S/C22H18ClN5O/c1-13-2-3-15(22(29)25-16-4-5-16)10-18(13)14-7-9-28-20(11-14)26-27-21(28)17-6-8-24-12-19(17)23/h2-3,6-12,16H,4-5H2,1H3,(H,25,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha |
Bioorg Med Chem Lett 22: 3431-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.099
BindingDB Entry DOI: 10.7270/Q2348MNX |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 13
(Homo sapiens (Human)) | BDBM50420770
(CHEMBL2087516)Show SMILES COC(C)c1nnc2cc(ccn12)-c1cc(ccc1C)C(=O)NC1CC1 Show InChI InChI=1S/C20H22N4O2/c1-12-4-5-15(20(25)21-16-6-7-16)10-17(12)14-8-9-24-18(11-14)22-23-19(24)13(2)26-3/h4-5,8-11,13,16H,6-7H2,1-3H3,(H,21,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha |
Bioorg Med Chem Lett 22: 3431-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.099
BindingDB Entry DOI: 10.7270/Q2348MNX |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 13
(Homo sapiens (Human)) | BDBM50420748
(CHEMBL2087741)Show SMILES Cc1ccc(cc1-c1c(F)cn2c(nnc2c1F)C(C)(C)C)C(=O)NC1CC1 |(17.76,-16.42,;19.09,-15.65,;19.09,-14.11,;20.42,-13.34,;21.76,-14.1,;21.76,-15.65,;20.42,-16.42,;20.42,-17.96,;21.75,-18.72,;23.08,-17.96,;21.74,-20.27,;20.41,-21.04,;20.08,-22.54,;18.55,-22.69,;17.93,-21.28,;19.08,-20.26,;19.08,-18.73,;17.75,-17.95,;20.88,-23.84,;20.16,-25.2,;22.42,-23.79,;21.65,-25.16,;23.09,-13.33,;23.08,-11.79,;24.42,-14.09,;25.75,-13.32,;27.29,-13.32,;26.52,-11.99,)| Show InChI InChI=1S/C21H22F2N4O/c1-11-5-6-12(19(28)24-13-7-8-13)9-14(11)16-15(22)10-27-18(17(16)23)25-26-20(27)21(2,3)4/h5-6,9-10,13H,7-8H2,1-4H3,(H,24,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha |
Bioorg Med Chem Lett 22: 3431-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.099
BindingDB Entry DOI: 10.7270/Q2348MNX |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 13
(Homo sapiens (Human)) | BDBM50420764
(CHEMBL2087510)Show SMILES Cc1ccc(cc1-c1ccn2c(nnc2c1)C1CCOCC1)C(=O)NC1CC1 Show InChI InChI=1S/C22H24N4O2/c1-14-2-3-17(22(27)23-18-4-5-18)12-19(14)16-6-9-26-20(13-16)24-25-21(26)15-7-10-28-11-8-15/h2-3,6,9,12-13,15,18H,4-5,7-8,10-11H2,1H3,(H,23,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 56 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha |
Bioorg Med Chem Lett 22: 3431-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.099
BindingDB Entry DOI: 10.7270/Q2348MNX |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 13
(Homo sapiens (Human)) | BDBM50305692
(3-tert-butyl-6-(2,4-difluorophenylthio)-[1,2,4]tri...)Show InChI InChI=1S/C16H15F2N3S/c1-16(2,3)15-20-19-14-7-5-11(9-21(14)15)22-13-6-4-10(17)8-12(13)18/h4-9H,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 62 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha |
Bioorg Med Chem Lett 22: 3431-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.099
BindingDB Entry DOI: 10.7270/Q2348MNX |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 13
(Homo sapiens (Human)) | BDBM50420741
(CHEMBL2087519)Show SMILES Cc1c(F)cc(cc1-c1ccn2c(nnc2c1)C(F)(F)F)C(=O)NC1CC1 Show InChI InChI=1S/C18H14F4N4O/c1-9-13(6-11(7-14(9)19)16(27)23-12-2-3-12)10-4-5-26-15(8-10)24-25-17(26)18(20,21)22/h4-8,12H,2-3H2,1H3,(H,23,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 85 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha |
Bioorg Med Chem Lett 22: 3431-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.099
BindingDB Entry DOI: 10.7270/Q2348MNX |
More data for this
Ligand-Target Pair | |
Search and Browse
