Found 250 hits with Last Name = 'gómez' and Initial = 'e' 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 |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50200340
((+/-)-huprine Y-HCl | (+/-)-huprineY hydrochloride...)Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1N |t:1,THB:18:7:1.2.6:4,10:8:1.2.6:4| Show InChI InChI=1S/C17H17ClN2/c1-9-4-10-6-11(5-9)16-15(7-10)20-14-8-12(18)2-3-13(14)17(16)19/h2-4,8,10-11H,5-7H2,1H3,(H2,19,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.0330 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat de Barcelona
Curated by ChEMBL
| Assay Description Binding affinity to human AChE |
J Med Chem 49: 6833-40 (2006)
Article DOI: 10.1021/jm060945c BindingDB Entry DOI: 10.7270/Q29K4C1S |
More data for this Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM17292
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| 0.160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto Politécnico Nacional 2508
Curated by ChEMBL
| Assay Description Displacement of [2,4,6,7-3H]estradiol from human ERalpha expressed in HeLa cells after 18 hrs by liquid scintillation counting |
Bioorg Med Chem 18: 5593-601 (2010)
Article DOI: 10.1016/j.bmc.2010.06.039 BindingDB Entry DOI: 10.7270/Q2NG4QT9 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50323914
(CHEMBL1213786 | Tamoxifen butyl bromide)Show SMILES CCCC[N+](C)(C)CCOc1ccc(cc1)C(=C(\CC)c1ccccc1)\c1ccccc1 Show InChI InChI=1S/C30H38NO/c1-5-7-22-31(3,4)23-24-32-28-20-18-27(19-21-28)30(26-16-12-9-13-17-26)29(6-2)25-14-10-8-11-15-25/h8-21H,5-7,22-24H2,1-4H3/q+1/b30-29- | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 13.0 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto Politécnico Nacional 2508
Curated by ChEMBL
| Assay Description Displacement of [2,4,6,7-3H]estradiol from human ERalpha expressed in HeLa cells after 18 hrs by liquid scintillation counting |
Bioorg Med Chem 18: 5593-601 (2010)
Article DOI: 10.1016/j.bmc.2010.06.039 BindingDB Entry DOI: 10.7270/Q2NG4QT9 |
More data for this Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50323912
(CHEMBL1213784 | Tamoxifen ethyl bromide)Show SMILES CC\C(=C(/c1ccccc1)c1ccc(OCC[N+](C)(C)CC)cc1)c1ccccc1 Show InChI InChI=1S/C28H34NO/c1-5-27(23-13-9-7-10-14-23)28(24-15-11-8-12-16-24)25-17-19-26(20-18-25)30-22-21-29(3,4)6-2/h7-20H,5-6,21-22H2,1-4H3/q+1/b28-27- | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 13.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto Politécnico Nacional 2508
Curated by ChEMBL
| Assay Description Displacement of [2,4,6,7-3H]estradiol from human ERalpha expressed in HeLa cells after 18 hrs by liquid scintillation counting |
Bioorg Med Chem 18: 5593-601 (2010)
Article DOI: 10.1016/j.bmc.2010.06.039 BindingDB Entry DOI: 10.7270/Q2NG4QT9 |
More data for this Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50323913
(CHEMBL1213785 | Tamoxifen isopropyl bromide)Show SMILES CC\C(=C(/c1ccccc1)c1ccc(OCC[N+](C)(C)C(C)C)cc1)c1ccccc1 Show InChI InChI=1S/C29H36NO/c1-6-28(24-13-9-7-10-14-24)29(25-15-11-8-12-16-25)26-17-19-27(20-18-26)31-22-21-30(4,5)23(2)3/h7-20,23H,6,21-22H2,1-5H3/q+1/b29-28- | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 25.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto Politécnico Nacional 2508
Curated by ChEMBL
| Assay Description Displacement of [2,4,6,7-3H]estradiol from human ERalpha expressed in HeLa cells after 18 hrs by liquid scintillation counting |
Bioorg Med Chem 18: 5593-601 (2010)
Article DOI: 10.1016/j.bmc.2010.06.039 BindingDB Entry DOI: 10.7270/Q2NG4QT9 |
More data for this Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM20607
((2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}ethy...)Show SMILES CC\C(=C(/c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1 Show InChI InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25- | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 31.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto Politécnico Nacional 2508
Curated by ChEMBL
| Assay Description Displacement of [2,4,6,7-3H]estradiol from human ERalpha expressed in HeLa cells after 18 hrs by liquid scintillation counting |
Bioorg Med Chem 18: 5593-601 (2010)
Article DOI: 10.1016/j.bmc.2010.06.039 BindingDB Entry DOI: 10.7270/Q2NG4QT9 |
More data for this Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50323911
(CHEMBL1213783 | Tamoxifen methyl iodide)Show SMILES CC\C(=C(/c1ccccc1)c1ccc(OCC[N+](C)(C)C)cc1)c1ccccc1 Show InChI InChI=1S/C27H32NO/c1-5-26(22-12-8-6-9-13-22)27(23-14-10-7-11-15-23)24-16-18-25(19-17-24)29-21-20-28(2,3)4/h6-19H,5,20-21H2,1-4H3/q+1/b27-26- | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 46.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto Politécnico Nacional 2508
Curated by ChEMBL
| Assay Description Displacement of [2,4,6,7-3H]estradiol from human ERalpha expressed in HeLa cells after 18 hrs by liquid scintillation counting |
Bioorg Med Chem 18: 5593-601 (2010)
Article DOI: 10.1016/j.bmc.2010.06.039 BindingDB Entry DOI: 10.7270/Q2NG4QT9 |
More data for this Ligand-Target Pair | |
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)) | BDBM50352565
(CHEMBL1825149)Show SMILES Cc1ccc(cc1-c1ccc2c(NC(=O)C22CCSCC2)c1)C(=O)NC1CC1 Show InChI InChI=1S/C23H24N2O2S/c1-14-2-3-16(21(26)24-17-5-6-17)12-18(14)15-4-7-19-20(13-15)25-22(27)23(19)8-10-28-11-9-23/h2-4,7,12-13,17H,5-6,8-11H2,1H3,(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
Patents
Similars
| Article PubMed
| n/a | n/a | 0.0800 | 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 substrate by FRET assay |
Bioorg Med Chem Lett 21: 5270-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.033 BindingDB Entry DOI: 10.7270/Q2KD1Z8K |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50352566
(CHEMBL1825148 | US8772288, 23)Show SMILES Cc1ccc(cc1-c1ccc2c(NC(=O)C22CCOCC2)c1)C(=O)Nc1ccon1 Show InChI InChI=1S/C23H21N3O4/c1-14-2-3-16(21(27)25-20-6-9-30-26-20)12-17(14)15-4-5-18-19(13-15)24-22(28)23(18)7-10-29-11-8-23/h2-6,9,12-13H,7-8,10-11H2,1H3,(H,24,28)(H,25,26,27) | 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 | 0.0900 | 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 substrate by FRET assay |
Bioorg Med Chem Lett 21: 5270-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.033 BindingDB Entry DOI: 10.7270/Q2KD1Z8K |
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)) | BDBM50348312
(CHEMBL1800222 | US8772288, 12)Show SMILES Cc1ccc(cc1-c1ccc2c(NC(=O)C22CCCC2)c1)C(=O)Nc1ccon1 Show InChI InChI=1S/C23H21N3O3/c1-14-4-5-16(21(27)25-20-8-11-29-26-20)12-17(14)15-6-7-18-19(13-15)24-22(28)23(18)9-2-3-10-23/h4-8,11-13H,2-3,9-10H2,1H3,(H,24,28)(H,25,26,27) | 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 | 0.220 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description Inhibition of human p38alpha by FRET assay |
Bioorg Med Chem Lett 21: 4130-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.05.114 BindingDB Entry DOI: 10.7270/Q2NP25DM |
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 | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50200340
((+/-)-huprine Y-HCl | (+/-)-huprineY hydrochloride...)Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1N |t:1,THB:18:7:1.2.6:4,10:8:1.2.6:4| Show InChI InChI=1S/C17H17ClN2/c1-9-4-10-6-11(5-9)16-15(7-10)20-14-8-12(18)2-3-13(14)17(16)19/h2-4,8,10-11H,5-7H2,1H3,(H2,19,20) | 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 | 0.780 | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat de Barcelona
Curated by ChEMBL
| Assay Description Inhibition of human erythrocyte AChE |
J Med Chem 49: 6833-40 (2006)
Article DOI: 10.1021/jm060945c BindingDB Entry DOI: 10.7270/Q29K4C1S |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50352572
(CHEMBL1825157 | US8772288, 51)Show SMILES Cc1ccc(cc1-c1cc2NC(=O)C3(CCCC3)c2cn1)C(=O)NC1CC1 Show InChI InChI=1S/C22H23N3O2/c1-13-4-5-14(20(26)24-15-6-7-15)10-16(13)18-11-19-17(12-23-18)22(21(27)25-19)8-2-3-9-22/h4-5,10-12,15H,2-3,6-9H2,1H3,(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
Patents
| Article PubMed
| n/a | n/a | 0.800 | 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 substrate by FRET assay |
Bioorg Med Chem Lett 21: 5270-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.033 BindingDB Entry DOI: 10.7270/Q2KD1Z8K |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50348323
(CHEMBL1800912)Show SMILES Cc1ccc(cc1-c1ccc2c(NC(=O)C22CCCCC2)c1)C(=O)NC1CC1 Show InChI InChI=1S/C24H26N2O2/c1-15-5-6-17(22(27)25-18-8-9-18)13-19(15)16-7-10-20-21(14-16)26-23(28)24(20)11-3-2-4-12-24/h5-7,10,13-14,18H,2-4,8-9,11-12H2,1H3,(H,25,27)(H,26,28) | 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 | 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 by FRET assay |
Bioorg Med Chem Lett 21: 4130-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.05.114 BindingDB Entry DOI: 10.7270/Q2NP25DM |
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)) | BDBM50352570
(CHEMBL1825154)Show SMILES Cc1ccc(cc1-c1ccc2c(NC(=O)C22CCC(F)(F)CC2)c1)C(=O)Nc1ccon1 Show InChI InChI=1S/C24H21F2N3O3/c1-14-2-3-16(21(30)28-20-6-11-32-29-20)12-17(14)15-4-5-18-19(13-15)27-22(31)23(18)7-9-24(25,26)10-8-23/h2-6,11-13H,7-10H2,1H3,(H,27,31)(H,28,29,30) | 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 | 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 substrate by FRET assay |
Bioorg Med Chem Lett 21: 5270-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.033 BindingDB Entry DOI: 10.7270/Q2KD1Z8K |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50352569
(CHEMBL1825146 | US8772288, 31)Show SMILES Cc1c(F)cc(cc1-c1ccc2c(NC(=O)C22CCN(CC2)S(C)(=O)=O)c1)C(=O)NC1CC1 Show InChI InChI=1S/C24H26FN3O4S/c1-14-18(11-16(12-20(14)25)22(29)26-17-4-5-17)15-3-6-19-21(13-15)27-23(30)24(19)7-9-28(10-8-24)33(2,31)32/h3,6,11-13,17H,4-5,7-10H2,1-2H3,(H,26,29)(H,27,30) | 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 | 1 | 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 substrate by FRET assay |
Bioorg Med Chem Lett 21: 5270-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.033 BindingDB Entry DOI: 10.7270/Q2KD1Z8K |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Bos taurus (bovine)) | BDBM50200334
((-)-(7S,11S)-huprine H3)Show SMILES CC1=C[C@H]2C[C@@H](C1)c1c(C2)[nH+]c2cc(Cl)ccc2c1N |t:1| Show InChI InChI=1S/C17H17ClN2/c1-9-4-10-6-11(5-9)16-15(7-10)20-14-8-12(18)2-3-13(14)17(16)19/h2-4,8,10-11H,5-7H2,1H3,(H2,19,20)/p+1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.15 | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat de Barcelona
Curated by ChEMBL
| Assay Description Inhibition of bovine erythrocyte AChE |
J Med Chem 49: 6833-40 (2006)
Article DOI: 10.1021/jm060945c BindingDB Entry DOI: 10.7270/Q29K4C1S |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50348319
(CHEMBL1800916 | US8772288, 15)Show SMILES Cc1c(F)cc(cc1-c1ccc2c(NC(=O)C22CCCC2)c1)C(=O)NC1CC1 Show InChI InChI=1S/C23H23FN2O2/c1-13-17(10-15(11-19(13)24)21(27)25-16-5-6-16)14-4-7-18-20(12-14)26-22(28)23(18)8-2-3-9-23/h4,7,10-12,16H,2-3,5-6,8-9H2,1H3,(H,25,27)(H,26,28) | 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 by FRET assay |
Bioorg Med Chem Lett 21: 4130-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.05.114 BindingDB Entry DOI: 10.7270/Q2NP25DM |
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 | |
Acetylcholinesterase
(Bos taurus (bovine)) | BDBM50200343
((-)-(7S,11S)-huprine H7)Show SMILES CCC1=C[C@H]2C[C@@H](C1)c1c(C2)[nH+]c2cc(Cl)ccc2c1N |t:2| Show InChI InChI=1S/C18H19ClN2/c1-2-10-5-11-7-12(6-10)17-16(8-11)21-15-9-13(19)3-4-14(15)18(17)20/h3-5,9,11-12H,2,6-8H2,1H3,(H2,20,21)/p+1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat de Barcelona
Curated by ChEMBL
| Assay Description Inhibition of bovine erythrocyte AChE |
J Med Chem 49: 6833-40 (2006)
Article DOI: 10.1021/jm060945c BindingDB Entry DOI: 10.7270/Q29K4C1S |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50352568
(CHEMBL1825151)Show SMILES Cc1ccc(cc1-c1ccc2c(NC(=O)[C@@]22CC[C@H](O)CC2)c1)C(=O)NC1CC1 |r,wD:15.15,18.20,(-4.28,-16.05,;-2.94,-16.81,;-1.62,-16.03,;-.27,-16.8,;-.27,-18.34,;-1.6,-19.11,;-2.94,-18.35,;-4.26,-19.12,;-4.26,-20.67,;-5.59,-21.44,;-6.93,-20.67,;-6.92,-19.13,;-8.39,-18.65,;-9.29,-19.9,;-10.83,-19.89,;-8.39,-21.14,;-7.3,-22.23,;-7.71,-23.72,;-9.2,-24.12,;-9.6,-25.6,;-10.29,-23.02,;-9.89,-21.54,;-5.6,-18.35,;1.07,-19.11,;1.07,-20.65,;2.4,-18.33,;3.73,-19.1,;4.51,-20.43,;5.28,-19.09,)| Show InChI InChI=1S/C24H26N2O3/c1-14-2-3-16(22(28)25-17-5-6-17)12-19(14)15-4-7-20-21(13-15)26-23(29)24(20)10-8-18(27)9-11-24/h2-4,7,12-13,17-18,27H,5-6,8-11H2,1H3,(H,25,28)(H,26,29)/t18-,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 | 1.40 | 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 substrate by FRET assay |
Bioorg Med Chem Lett 21: 5270-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.033 BindingDB Entry DOI: 10.7270/Q2KD1Z8K |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50352571
(CHEMBL1825152)Show SMILES Cc1ccc(cc1-c1ccc2c(NC(=O)[C@]22CC[C@H](O)CC2)c1)C(=O)NC1CC1 |r,wU:18.20,wD:15.15,(14.49,-15.14,;15.83,-15.9,;17.16,-15.12,;18.5,-15.89,;18.51,-17.43,;17.18,-18.2,;15.84,-17.44,;14.51,-18.21,;14.52,-19.76,;13.18,-20.53,;11.85,-19.76,;11.85,-18.22,;10.39,-17.74,;9.48,-18.99,;7.94,-18.98,;10.38,-20.23,;8.89,-20.63,;8.49,-22.11,;9.58,-23.21,;9.17,-24.69,;11.07,-22.81,;11.48,-21.32,;13.18,-17.44,;19.84,-18.2,;19.85,-19.74,;21.17,-17.42,;22.51,-18.19,;23.29,-19.52,;24.05,-18.18,)| Show InChI InChI=1S/C24H26N2O3/c1-14-2-3-16(22(28)25-17-5-6-17)12-19(14)15-4-7-20-21(13-15)26-23(29)24(20)10-8-18(27)9-11-24/h2-4,7,12-13,17-18,27H,5-6,8-11H2,1H3,(H,25,28)(H,26,29)/t18-,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 | 1.40 | 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 substrate by FRET assay |
Bioorg Med Chem Lett 21: 5270-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.033 BindingDB Entry DOI: 10.7270/Q2KD1Z8K |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50348324
(CHEMBL1800910 | US8772288, 3)Show SMILES Cc1ccc(cc1-c1ccc2c(NC(=O)C22CCC2)c1)C(=O)NC1CC1 Show InChI InChI=1S/C22H22N2O2/c1-13-3-4-15(20(25)23-16-6-7-16)11-17(13)14-5-8-18-19(12-14)24-21(26)22(18)9-2-10-22/h3-5,8,11-12,16H,2,6-7,9-10H2,1H3,(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
Patents
Similars
| Article PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description Inhibition of human p38alpha by FRET assay |
Bioorg Med Chem Lett 21: 4130-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.05.114 BindingDB Entry DOI: 10.7270/Q2NP25DM |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50352567
(CHEMBL1825147 | US8772288, 22)Show SMILES Cc1ccc(cc1-c1ccc2c(NC(=O)C22CCOCC2)c1)C(=O)NC1CC1 Show InChI InChI=1S/C23H24N2O3/c1-14-2-3-16(21(26)24-17-5-6-17)12-18(14)15-4-7-19-20(13-15)25-22(27)23(19)8-10-28-11-9-23/h2-4,7,12-13,17H,5-6,8-11H2,1H3,(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
Patents
Similars
| Article PubMed
| n/a | n/a | 1.65 | 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 substrate by FRET assay |
Bioorg Med Chem Lett 21: 5270-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.033 BindingDB Entry DOI: 10.7270/Q2KD1Z8K |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50352573
(CHEMBL1825158)Show SMILES Cc1ccc(cc1-c1cnc2c(NC(=O)C22CCCC2)c1)C(=O)NC1CC1 Show InChI InChI=1S/C22H23N3O2/c1-13-4-5-14(20(26)24-16-6-7-16)10-17(13)15-11-18-19(23-12-15)22(21(27)25-18)8-2-3-9-22/h4-5,10-12,16H,2-3,6-9H2,1H3,(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
Patents
Similars
| Article PubMed
| n/a | n/a | 1.80 | 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 substrate by FRET assay |
Bioorg Med Chem Lett 21: 5270-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.033 BindingDB Entry DOI: 10.7270/Q2KD1Z8K |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50352574
(CHEMBL1825153 | US8772288, 32)Show SMILES Cc1ccc(cc1-c1ccc2c(NC(=O)C22CCC(F)(F)CC2)c1)C(=O)NC1CC1 Show InChI InChI=1S/C24H24F2N2O2/c1-14-2-3-16(21(29)27-17-5-6-17)12-18(14)15-4-7-19-20(13-15)28-22(30)23(19)8-10-24(25,26)11-9-23/h2-4,7,12-13,17H,5-6,8-11H2,1H3,(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
Patents
Similars
| Article PubMed
| n/a | n/a | 1.80 | 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 substrate by FRET assay |
Bioorg Med Chem Lett 21: 5270-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.033 BindingDB Entry DOI: 10.7270/Q2KD1Z8K |
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 14
(Homo sapiens (Human)) | BDBM50348322
(CHEMBL1800913)Show SMILES Clc1ccc(cc1-c1ccc2c(NC(=O)C22CCCC2)c1)C(=O)NC1CC1 Show InChI InChI=1S/C22H21ClN2O2/c23-18-8-4-14(20(26)24-15-5-6-15)11-16(18)13-3-7-17-19(12-13)25-21(27)22(17)9-1-2-10-22/h3-4,7-8,11-12,15H,1-2,5-6,9-10H2,(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
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 by FRET assay |
Bioorg Med Chem Lett 21: 4130-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.05.114 BindingDB Entry DOI: 10.7270/Q2NP25DM |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50352575
(CHEMBL1825160)Show SMILES Cc1ccc(cc1-c1cnc2c(NC(=O)C22CCC(F)(F)CC2)c1)C(=O)NC1CC1 Show InChI InChI=1S/C23H23F2N3O2/c1-13-2-3-14(20(29)27-16-4-5-16)10-17(13)15-11-18-19(26-12-15)22(21(30)28-18)6-8-23(24,25)9-7-22/h2-3,10-12,16H,4-9H2,1H3,(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
Patents
Similars
| Article PubMed
| n/a | n/a | 2.30 | 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 substrate by FRET assay |
Bioorg Med Chem Lett 21: 5270-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.033 BindingDB Entry DOI: 10.7270/Q2KD1Z8K |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Bos taurus (bovine)) | BDBM10597
((1S)-7-chloro-15-ethyl-10-azatetracyclo[11.3.1.0^{...)Show SMILES CCC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1N |t:2,TLB:11:9:5:3.2.7,19:8:5:3.2.7| Show InChI InChI=1S/C18H19ClN2/c1-2-10-5-11-7-12(6-10)17-16(8-11)21-15-9-13(19)3-4-14(15)18(17)20/h3-5,9,11-12H,2,6-8H2,1H3,(H2,20,21) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2.77 | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat de Barcelona
Curated by ChEMBL
| Assay Description Inhibition of bovine erythrocyte AChE |
J Med Chem 49: 6833-40 (2006)
Article DOI: 10.1021/jm060945c BindingDB Entry DOI: 10.7270/Q29K4C1S |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50348326
(CHEMBL1800921)Show SMILES Cc1ccc(cc1-c1ccc2c(NC(=O)C22CCCC2)c1)C(=O)NCC1CC1 Show InChI InChI=1S/C24H26N2O2/c1-15-4-7-18(22(27)25-14-16-5-6-16)12-19(15)17-8-9-20-21(13-17)26-23(28)24(20)10-2-3-11-24/h4,7-9,12-13,16H,2-3,5-6,10-11,14H2,1H3,(H,25,27)(H,26,28) | 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 | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description Inhibition of human p38alpha by FRET assay |
Bioorg Med Chem Lett 21: 4130-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.05.114 BindingDB Entry DOI: 10.7270/Q2NP25DM |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Bos taurus (bovine)) | BDBM50079861
((+)-7-fluoro-15-methyl-10-azatetracyclo[11.3.1.02,...)Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(F)ccc2c1N |t:1,TLB:18:7:1.2.6:4,THB:0:1:7.8.9:4| Show InChI InChI=1S/C17H17FN2/c1-9-4-10-6-11(5-9)16-15(7-10)20-14-8-12(18)2-3-13(14)17(16)19/h2-4,8,10-11H,5-7H2,1H3,(H2,19,20) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 3.49 | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat de Barcelona
Curated by ChEMBL
| Assay Description Inhibition of bovine erythrocyte AChE |
J Med Chem 49: 6833-40 (2006)
Article DOI: 10.1021/jm060945c BindingDB Entry DOI: 10.7270/Q29K4C1S |
More data for this Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50434452
(CHEMBL2385113)Show SMILES Cc1c(CC(O)=O)c(nn1Cc1ccccc1S(=O)(=O)c1ccccc1)-c1ccncc1 Show InChI InChI=1S/C24H21N3O4S/c1-17-21(15-23(28)29)24(18-11-13-25-14-12-18)26-27(17)16-19-7-5-6-10-22(19)32(30,31)20-8-3-2-4-9-20/h2-14H,15-16H2,1H3,(H,28,29) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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 Antagonist activity at CRTh2 receptor (unknown origin) overexpressed in CHOK1 cell membranes assessed as inhibition of [35S]-GTPgammaS binding preinc... |
Bioorg Med Chem Lett 23: 3349-53 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.093 BindingDB Entry DOI: 10.7270/Q2C24XSQ |
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 | |
Acetylcholinesterase
(Bos taurus (bovine)) | BDBM50200340
((+/-)-huprine Y-HCl | (+/-)-huprineY hydrochloride...)Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1N |t:1,THB:18:7:1.2.6:4,10:8:1.2.6:4| Show InChI InChI=1S/C17H17ClN2/c1-9-4-10-6-11(5-9)16-15(7-10)20-14-8-12(18)2-3-13(14)17(16)19/h2-4,8,10-11H,5-7H2,1H3,(H2,19,20) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.23 | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat de Barcelona
Curated by ChEMBL
| Assay Description Inhibition of bovine erythrocyte AChE |
J Med Chem 49: 6833-40 (2006)
Article DOI: 10.1021/jm060945c BindingDB Entry DOI: 10.7270/Q29K4C1S |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Bos taurus (bovine)) | BDBM10592
(7-chloro-15-methyl-10-azatetracyclo[11.3.1.0^{2,11...)Show InChI InChI=1S/C17H17ClN2/c1-9-4-10-6-11(5-9)16-15(7-10)20-14-8-12(18)2-3-13(14)17(16)19/h2-4,8,10-11H,5-7H2,1H3,(H2,19,20) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.23 | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat de Barcelona
Curated by ChEMBL
| Assay Description Inhibition of bovine erythrocyte AChE |
J Med Chem 49: 6833-40 (2006)
Article DOI: 10.1021/jm060945c BindingDB Entry DOI: 10.7270/Q29K4C1S |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Bos taurus (bovine)) | BDBM50200336
((-)-(7S,11S)-huprine H5)Show SMILES CCC1=C[C@H]2C[C@@H](C1)c1c(C2)[nH+]c2cc(C)ccc2c1N |t:2| Show InChI InChI=1S/C19H22N2/c1-3-12-7-13-9-14(8-12)18-17(10-13)21-16-6-11(2)4-5-15(16)19(18)20/h4-7,13-14H,3,8-10H2,1-2H3,(H2,20,21)/p+1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat de Barcelona
Curated by ChEMBL
| Assay Description Inhibition of bovine erythrocyte AChE |
J Med Chem 49: 6833-40 (2006)
Article DOI: 10.1021/jm060945c BindingDB Entry DOI: 10.7270/Q29K4C1S |
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)) | BDBM50352570
(CHEMBL1825154)Show SMILES Cc1ccc(cc1-c1ccc2c(NC(=O)C22CCC(F)(F)CC2)c1)C(=O)Nc1ccon1 Show InChI InChI=1S/C24H21F2N3O3/c1-14-2-3-16(21(30)28-20-6-11-32-29-20)12-17(14)15-4-5-18-19(13-15)27-22(31)23(18)7-9-24(25,26)10-8-23/h2-6,11-13H,7-10H2,1H3,(H,27,31)(H,28,29,30) | 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 | 4.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description Inhibition of p38alpha in human whole blood assessed as reduction in TNF-alpha production by ELISA |
Bioorg Med Chem Lett 21: 5270-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.033 BindingDB Entry DOI: 10.7270/Q2KD1Z8K |
More data for this Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50434451
(CHEMBL2385124)Show SMILES Cc1c(Cc2ccccc2S(=O)(=O)c2ccccc2)c2cc(F)ccc2n1CC(O)=O Show InChI InChI=1S/C24H20FNO4S/c1-16-20(21-14-18(25)11-12-22(21)26(16)15-24(27)28)13-17-7-5-6-10-23(17)31(29,30)19-8-3-2-4-9-19/h2-12,14H,13,15H2,1H3,(H,27,28) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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 |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description Antagonist activity at CRTh2 receptor in human eosinophil assessed as inhibition of PGD2-induced cell shape change |
Bioorg Med Chem Lett 23: 3349-53 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.093 BindingDB Entry DOI: 10.7270/Q2C24XSQ |
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 14
(Homo sapiens (Human)) | BDBM50348325
(CHEMBL1800909)Show SMILES Cc1ccc(cc1-c1ccc2c(NC(=O)C2(C)C)c1)C(=O)NC1CC1 Show InChI InChI=1S/C21H22N2O2/c1-12-4-5-14(19(24)22-15-7-8-15)10-16(12)13-6-9-17-18(11-13)23-20(25)21(17,2)3/h4-6,9-11,15H,7-8H2,1-3H3,(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
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 by FRET assay |
Bioorg Med Chem Lett 21: 4130-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.05.114 BindingDB Entry DOI: 10.7270/Q2NP25DM |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50352568
(CHEMBL1825151)Show SMILES Cc1ccc(cc1-c1ccc2c(NC(=O)[C@@]22CC[C@H](O)CC2)c1)C(=O)NC1CC1 |r,wD:15.15,18.20,(-4.28,-16.05,;-2.94,-16.81,;-1.62,-16.03,;-.27,-16.8,;-.27,-18.34,;-1.6,-19.11,;-2.94,-18.35,;-4.26,-19.12,;-4.26,-20.67,;-5.59,-21.44,;-6.93,-20.67,;-6.92,-19.13,;-8.39,-18.65,;-9.29,-19.9,;-10.83,-19.89,;-8.39,-21.14,;-7.3,-22.23,;-7.71,-23.72,;-9.2,-24.12,;-9.6,-25.6,;-10.29,-23.02,;-9.89,-21.54,;-5.6,-18.35,;1.07,-19.11,;1.07,-20.65,;2.4,-18.33,;3.73,-19.1,;4.51,-20.43,;5.28,-19.09,)| Show InChI InChI=1S/C24H26N2O3/c1-14-2-3-16(22(28)25-17-5-6-17)12-19(14)15-4-7-20-21(13-15)26-23(29)24(20)10-8-18(27)9-11-24/h2-4,7,12-13,17-18,27H,5-6,8-11H2,1H3,(H,25,28)(H,26,29)/t18-,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 p38alpha in human whole blood assessed as reduction in TNF-alpha production by ELISA |
Bioorg Med Chem Lett 21: 5270-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.033 BindingDB Entry DOI: 10.7270/Q2KD1Z8K |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50352577
(CHEMBL1825145 | US8772288, 29)Show SMILES CN1CCC2(CC1)C(=O)Nc1cc(ccc21)-c1cc(ccc1C)C(=O)NC1CC1 Show InChI InChI=1S/C24H27N3O2/c1-15-3-4-17(22(28)25-18-6-7-18)13-19(15)16-5-8-20-21(14-16)26-23(29)24(20)9-11-27(2)12-10-24/h3-5,8,13-14,18H,6-7,9-12H2,1-2H3,(H,25,28)(H,26,29) | 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 | 5.20 | 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 substrate by FRET assay |
Bioorg Med Chem Lett 21: 5270-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.033 BindingDB Entry DOI: 10.7270/Q2KD1Z8K |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50352576
(CHEMBL1825156 | US8772288, 43)Show SMILES Cc1ccc(cc1-c1ccc2c(NC(=O)C22CCCC2)n1)C(=O)NC1CC1 Show InChI InChI=1S/C22H23N3O2/c1-13-4-5-14(20(26)23-15-6-7-15)12-16(13)18-9-8-17-19(24-18)25-21(27)22(17)10-2-3-11-22/h4-5,8-9,12,15H,2-3,6-7,10-11H2,1H3,(H,23,26)(H,24,25,27) | 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 | 5.60 | 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 substrate by FRET assay |
Bioorg Med Chem Lett 21: 5270-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.033 BindingDB Entry DOI: 10.7270/Q2KD1Z8K |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Bos taurus (bovine)) | BDBM8987
(6-chloro-1,2,3,4-tetrahydroacridin-9-amine | 6-chl...)Show InChI InChI=1S/C13H13ClN2/c14-8-5-6-10-12(7-8)16-11-4-2-1-3-9(11)13(10)15/h5-7H,1-4H2,(H2,15,16) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 5.73 | n/a | n/a | n/a | n/a | 8.0 | 25 |
Universitat de Barcelona
| Assay Description AChE inhibitory activity was evaluated spectrophotometrically by the method of Ellman, using AChE from bovine or human erythrocytes and acetylthiocho... |
J Med Chem 52: 5365-79 (2009)
Article DOI: 10.1021/jm900859q BindingDB Entry DOI: 10.7270/Q2707ZSB |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50348313
(CHEMBL1800221 | US8772288, 11)Show SMILES Cc1ccc(cc1-c1ccc2c(NC(=O)C22CCCC2)c1)C(=O)Nc1ccccn1 Show InChI InChI=1S/C25H23N3O2/c1-16-7-8-18(23(29)28-22-6-2-5-13-26-22)14-19(16)17-9-10-20-21(15-17)27-24(30)25(20)11-3-4-12-25/h2,5-10,13-15H,3-4,11-12H2,1H3,(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 | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description Inhibition of human p38alpha by FRET assay |
Bioorg Med Chem Lett 21: 4130-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.05.114 BindingDB Entry DOI: 10.7270/Q2NP25DM |
More data for this Ligand-Target Pair | |