Found 277 hits with Last Name = 'ohra' and Initial = 't' 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 8
(Rattus norvegicus) | BDBM50373215
(CHEMBL259060)Show SMILES COC(=O)c1c(-c2ccccc2)c2cc(Br)ccc2c(=O)n1Cc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C25H20BrNO5S/c1-32-25(29)23-22(17-6-4-3-5-7-17)21-14-18(26)10-13-20(21)24(28)27(23)15-16-8-11-19(12-9-16)33(2,30)31/h3-14H,15H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet 
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd
Curated by ChEMBL
| Assay Description
Inhibition of JNK1 in rat H9c2 cells assessed as inhibition of anisomycin-induced AP1 phosphorylation after 30 mins |
Bioorg Med Chem 16: 4715-32 (2008)
Article DOI: 10.1016/j.bmc.2008.02.027
BindingDB Entry DOI: 10.7270/Q2JS9R8M |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50373218
(CHEMBL260429)Show SMILES COC(=O)c1c(-c2ccccc2)c2cc(Br)ccc2c(=O)n1Cc1ccc(NS(=O)(=O)c2ccc(cc2)C(O)=O)cc1 Show InChI InChI=1S/C31H23BrN2O7S/c1-41-31(38)28-27(20-5-3-2-4-6-20)26-17-22(32)11-16-25(26)29(35)34(28)18-19-7-12-23(13-8-19)33-42(39,40)24-14-9-21(10-15-24)30(36)37/h2-17,33H,18H2,1H3,(H,36,37) | 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 | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human JNK1 by radiometric assay |
Bioorg Med Chem 16: 4715-32 (2008)
Article DOI: 10.1016/j.bmc.2008.02.027
BindingDB Entry DOI: 10.7270/Q2JS9R8M |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50376111
(CHEMBL258618)Show SMILES CCC(=O)c1c(-c2ccccc2)c2cc(Cl)ccc2c(=O)n1Cc1cc(C(=O)NC2CC2)n(C)n1 Show InChI InChI=1S/C27H25ClN4O3/c1-3-23(33)25-24(16-7-5-4-6-8-16)21-13-17(28)9-12-20(21)27(35)32(25)15-19-14-22(31(2)30-19)26(34)29-18-10-11-18/h4-9,12-14,18H,3,10-11,15H2,1-2H3,(H,29,34) | 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 | 6.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human JNK1 by radiometric assay |
Bioorg Med Chem 16: 4699-714 (2008)
Article DOI: 10.1016/j.bmc.2008.02.028
BindingDB Entry DOI: 10.7270/Q2NP2598 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50376119
(CHEMBL259484)Show SMILES CCC(=O)c1c(-c2ccccc2)c2cc(Cl)ccc2c(=O)n1Cc1cn(C(=O)NC)c(C)n1 Show InChI InChI=1S/C25H23ClN4O3/c1-4-21(31)23-22(16-8-6-5-7-9-16)20-12-17(26)10-11-19(20)24(32)30(23)14-18-13-29(15(2)28-18)25(33)27-3/h5-13H,4,14H2,1-3H3,(H,27,33) | 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 | 6.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human JNK1 by radiometric assay |
Bioorg Med Chem 16: 4699-714 (2008)
Article DOI: 10.1016/j.bmc.2008.02.028
BindingDB Entry DOI: 10.7270/Q2NP2598 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50376115
(CHEMBL437107)Show SMILES CCC(=O)c1c(-c2ccccc2)c2cc(Cl)ccc2c(=O)n1Cc1cc(C(N)=O)n(C)n1 Show InChI InChI=1S/C24H21ClN4O3/c1-3-20(30)22-21(14-7-5-4-6-8-14)18-11-15(25)9-10-17(18)24(32)29(22)13-16-12-19(23(26)31)28(2)27-16/h4-12H,3,13H2,1-2H3,(H2,26,31) | 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 | 7.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human JNK1 by radiometric assay |
Bioorg Med Chem 16: 4699-714 (2008)
Article DOI: 10.1016/j.bmc.2008.02.028
BindingDB Entry DOI: 10.7270/Q2NP2598 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50376123
(CHEMBL260064)Show SMILES CCC(=O)c1c(-c2ccccc2)c2cc(Cl)ccc2c(=O)n1Cc1cc(n(CC(C)=O)n1)S(C)(=O)=O Show InChI InChI=1S/C26H24ClN3O5S/c1-4-22(32)25-24(17-8-6-5-7-9-17)21-12-18(27)10-11-20(21)26(33)29(25)15-19-13-23(36(3,34)35)30(28-19)14-16(2)31/h5-13H,4,14-15H2,1-3H3 | 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 | 7.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human JNK1 by radiometric assay |
Bioorg Med Chem 16: 4699-714 (2008)
Article DOI: 10.1016/j.bmc.2008.02.028
BindingDB Entry DOI: 10.7270/Q2NP2598 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50376122
(CHEMBL260065)Show SMILES CCC(=O)c1c(-c2ccccc2)c2cc(Cl)ccc2c(=O)n1Cc1cc(n(CC(N)=O)n1)S(C)(=O)=O Show InChI InChI=1S/C25H23ClN4O5S/c1-3-20(31)24-23(15-7-5-4-6-8-15)19-11-16(26)9-10-18(19)25(33)29(24)13-17-12-22(36(2,34)35)30(28-17)14-21(27)32/h4-12H,3,13-14H2,1-2H3,(H2,27,32) | 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 | 8.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human JNK1 by radiometric assay |
Bioorg Med Chem 16: 4699-714 (2008)
Article DOI: 10.1016/j.bmc.2008.02.028
BindingDB Entry DOI: 10.7270/Q2NP2598 |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50024849
(CHEMBL3337825)Show SMILES Cc1nn(CCCC(F)(F)F)c(c1-c1ccc2OCC(=O)Nc2c1)-c1ccc(F)cc1 Show InChI InChI=1S/C22H19F4N3O2/c1-13-20(15-5-8-18-17(11-15)27-19(30)12-31-18)21(14-3-6-16(23)7-4-14)29(28-13)10-2-9-22(24,25)26/h3-8,11H,2,9-10,12H2,1H3,(H,27,30) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 8.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Displacement of [3H]aldosterone from human mineralocorticoid receptor expressed in 293 cells after 16 hrs by scintillation counting |
Bioorg Med Chem 22: 5428-45 (2014)
Article DOI: 10.1016/j.bmc.2014.07.038
BindingDB Entry DOI: 10.7270/Q218383G |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50376118
(CHEMBL258705)Show SMILES CCNC(=O)n1ccc(Cn2c(C(=O)CC)c(-c3ccccc3)c3cc(Cl)ccc3c2=O)n1 Show InChI InChI=1S/C25H23ClN4O3/c1-3-21(31)23-22(16-8-6-5-7-9-16)20-14-17(26)10-11-19(20)24(32)29(23)15-18-12-13-30(28-18)25(33)27-4-2/h5-14H,3-4,15H2,1-2H3,(H,27,33) | 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 | 8.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human JNK1 by radiometric assay |
Bioorg Med Chem 16: 4699-714 (2008)
Article DOI: 10.1016/j.bmc.2008.02.028
BindingDB Entry DOI: 10.7270/Q2NP2598 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50373200
(CHEMBL261014)Show SMILES COC(=O)c1c(-c2ccccc2)c2cc(Br)ccc2c(=O)n1Cc1ccc(NC(=O)CCC(O)=O)cc1 Show InChI InChI=1S/C28H23BrN2O6/c1-37-28(36)26-25(18-5-3-2-4-6-18)22-15-19(29)9-12-21(22)27(35)31(26)16-17-7-10-20(11-8-17)30-23(32)13-14-24(33)34/h2-12,15H,13-14,16H2,1H3,(H,30,32)(H,33,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 9.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human JNK1 by radiometric assay |
Bioorg Med Chem 16: 4715-32 (2008)
Article DOI: 10.1016/j.bmc.2008.02.027
BindingDB Entry DOI: 10.7270/Q2JS9R8M |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50376114
(CHEMBL259720)Show SMILES CCC(=O)c1c(-c2ccccc2)c2cc(Cl)ccc2c(=O)n1Cc1cc(C(=O)NC)n(C)n1 Show InChI InChI=1S/C25H23ClN4O3/c1-4-21(31)23-22(15-8-6-5-7-9-15)19-12-16(26)10-11-18(19)25(33)30(23)14-17-13-20(24(32)27-2)29(3)28-17/h5-13H,4,14H2,1-3H3,(H,27,32) | 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 | 9.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human JNK1 by radiometric assay |
Bioorg Med Chem 16: 4699-714 (2008)
Article DOI: 10.1016/j.bmc.2008.02.028
BindingDB Entry DOI: 10.7270/Q2NP2598 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50376120
(CHEMBL259554)Show SMILES CCC(=O)c1c(-c2ccccc2)c2cc(Cl)ccc2c(=O)n1Cc1ccc(cc1)C(O)=O Show InChI InChI=1S/C26H20ClNO4/c1-2-22(29)24-23(17-6-4-3-5-7-17)21-14-19(27)12-13-20(21)25(30)28(24)15-16-8-10-18(11-9-16)26(31)32/h3-14H,2,15H2,1H3,(H,31,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 9.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human JNK1 by radiometric assay |
Bioorg Med Chem 16: 4699-714 (2008)
Article DOI: 10.1016/j.bmc.2008.02.028
BindingDB Entry DOI: 10.7270/Q2NP2598 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50376110
(CHEMBL409350)Show SMILES CCC(=O)c1c(-c2ccccc2)c2cc(Cl)ccc2c(=O)n1Cc1cc(C(=O)NC2CC2)n(CC(F)F)n1 Show InChI InChI=1S/C28H25ClF2N4O3/c1-2-23(36)26-25(16-6-4-3-5-7-16)21-12-17(29)8-11-20(21)28(38)34(26)14-19-13-22(27(37)32-18-9-10-18)35(33-19)15-24(30)31/h3-8,11-13,18,24H,2,9-10,14-15H2,1H3,(H,32,37) | 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 | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human JNK1 by radiometric assay |
Bioorg Med Chem 16: 4699-714 (2008)
Article DOI: 10.1016/j.bmc.2008.02.028
BindingDB Entry DOI: 10.7270/Q2NP2598 |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50024859
(CHEMBL3337831)Show SMILES Cc1nn(CCC(C)(F)F)c(c1-c1ccc2OCC(=O)Nc2c1)-c1ccc(F)cc1 Show InChI InChI=1S/C22H20F3N3O2/c1-13-20(15-5-8-18-17(11-15)26-19(29)12-30-18)21(14-3-6-16(23)7-4-14)28(27-13)10-9-22(2,24)25/h3-8,11H,9-10,12H2,1-2H3,(H,26,29) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Displacement of [3H]aldosterone from human mineralocorticoid receptor expressed in 293 cells after 16 hrs by scintillation counting |
Bioorg Med Chem 22: 5428-45 (2014)
Article DOI: 10.1016/j.bmc.2014.07.038
BindingDB Entry DOI: 10.7270/Q218383G |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50376124
(CHEMBL261413)Show SMILES CCC(=O)c1c(-c2ccccc2)c2cc(Cl)ccc2c(=O)n1Cc1cc(n(CCC(C)(C)O)n1)S(C)(=O)=O Show InChI InChI=1S/C28H30ClN3O5S/c1-5-23(33)26-25(18-9-7-6-8-10-18)22-15-19(29)11-12-21(22)27(34)31(26)17-20-16-24(38(4,36)37)32(30-20)14-13-28(2,3)35/h6-12,15-16,35H,5,13-14,17H2,1-4H3 | 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 | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human JNK1 by radiometric assay |
Bioorg Med Chem 16: 4699-714 (2008)
Article DOI: 10.1016/j.bmc.2008.02.028
BindingDB Entry DOI: 10.7270/Q2NP2598 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50376125
(CHEMBL411083)Show SMILES CCC(=O)c1c(-c2ccccc2)c2cc(Cl)ccc2c(=O)n1Cc1cc(n(CC(F)F)n1)S(C)(=O)=O Show InChI InChI=1S/C25H22ClF2N3O4S/c1-3-20(32)24-23(15-7-5-4-6-8-15)19-11-16(26)9-10-18(19)25(33)30(24)13-17-12-22(36(2,34)35)31(29-17)14-21(27)28/h4-12,21H,3,13-14H2,1-2H3 | 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 | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human JNK1 by radiometric assay |
Bioorg Med Chem 16: 4699-714 (2008)
Article DOI: 10.1016/j.bmc.2008.02.028
BindingDB Entry DOI: 10.7270/Q2NP2598 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50376112
(CHEMBL258845)Show SMILES CCC(=O)c1c(-c2ccccc2)c2cc(Cl)ccc2c(=O)n1Cc1cc(C(N)=O)n(CC)n1 Show InChI InChI=1S/C25H23ClN4O3/c1-3-21(31)23-22(15-8-6-5-7-9-15)19-12-16(26)10-11-18(19)25(33)29(23)14-17-13-20(24(27)32)30(4-2)28-17/h5-13H,3-4,14H2,1-2H3,(H2,27,32) | 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 | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human JNK1 by radiometric assay |
Bioorg Med Chem 16: 4699-714 (2008)
Article DOI: 10.1016/j.bmc.2008.02.028
BindingDB Entry DOI: 10.7270/Q2NP2598 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50376113
(CHEMBL258631)Show SMILES CCC(=O)c1c(-c2ccccc2)c2cc(Cl)ccc2c(=O)n1Cc1cc(C(=O)N(C)C)n(C)n1 Show InChI InChI=1S/C26H25ClN4O3/c1-5-22(32)24-23(16-9-7-6-8-10-16)20-13-17(27)11-12-19(20)25(33)31(24)15-18-14-21(30(4)28-18)26(34)29(2)3/h6-14H,5,15H2,1-4H3 | 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 | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human JNK1 by radiometric assay |
Bioorg Med Chem 16: 4699-714 (2008)
Article DOI: 10.1016/j.bmc.2008.02.028
BindingDB Entry DOI: 10.7270/Q2NP2598 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50373202
(CHEMBL261841)Show SMILES COC(=O)c1c(-c2ccccc2)c2cc(Br)ccc2c(=O)n1Cc1ccc(NS(C)(=O)=O)cc1 Show InChI InChI=1S/C25H21BrN2O5S/c1-33-25(30)23-22(17-6-4-3-5-7-17)21-14-18(26)10-13-20(21)24(29)28(23)15-16-8-11-19(12-9-16)27-34(2,31)32/h3-14,27H,15H2,1-2H3 | 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 | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human JNK1 by radiometric assay |
Bioorg Med Chem 16: 4715-32 (2008)
Article DOI: 10.1016/j.bmc.2008.02.027
BindingDB Entry DOI: 10.7270/Q2JS9R8M |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50373205
(CHEMBL259916)Show SMILES COC(=O)c1ccc(Cn2c(C(=O)OC)c(-c3ccccc3)c3cc(Br)ccc3c2=O)cc1 Show InChI InChI=1S/C26H20BrNO5/c1-32-25(30)18-10-8-16(9-11-18)15-28-23(26(31)33-2)22(17-6-4-3-5-7-17)21-14-19(27)12-13-20(21)24(28)29/h3-14H,15H2,1-2H3 | 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 | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human JNK1 by radiometric assay |
Bioorg Med Chem 16: 4715-32 (2008)
Article DOI: 10.1016/j.bmc.2008.02.027
BindingDB Entry DOI: 10.7270/Q2JS9R8M |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50024859
(CHEMBL3337831)Show SMILES Cc1nn(CCC(C)(F)F)c(c1-c1ccc2OCC(=O)Nc2c1)-c1ccc(F)cc1 Show InChI InChI=1S/C22H20F3N3O2/c1-13-20(15-5-8-18-17(11-15)26-19(29)12-30-18)21(14-3-6-16(23)7-4-14)28(27-13)10-9-22(2,24)25/h3-8,11H,9-10,12H2,1-2H3,(H,26,29) | PDB
MMDB
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 |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Antagonist activity at human mineralocorticoid receptor expressed in COS1 cells after 1 day by luciferase reporter gene assay |
Bioorg Med Chem 22: 5428-45 (2014)
Article DOI: 10.1016/j.bmc.2014.07.038
BindingDB Entry DOI: 10.7270/Q218383G |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50373204
(CHEMBL259706)Show SMILES COC(=O)c1c(-c2ccccc2)c2cc(Br)ccc2c(=O)n1Cc1ccc(cc1)C(O)=O Show InChI InChI=1S/C25H18BrNO5/c1-32-25(31)22-21(16-5-3-2-4-6-16)20-13-18(26)11-12-19(20)23(28)27(22)14-15-7-9-17(10-8-15)24(29)30/h2-13H,14H2,1H3,(H,29,30) | 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 | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human JNK1 by radiometric assay |
Bioorg Med Chem 16: 4715-32 (2008)
Article DOI: 10.1016/j.bmc.2008.02.027
BindingDB Entry DOI: 10.7270/Q2JS9R8M |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50373193
(CHEMBL259092)Show SMILES COC(=O)c1c(-c2cccc(CO)c2)c2cc(Cl)ccc2c(=O)n1Cc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C26H22ClNO6S/c1-34-26(31)24-23(18-5-3-4-17(12-18)15-29)22-13-19(27)8-11-21(22)25(30)28(24)14-16-6-9-20(10-7-16)35(2,32)33/h3-13,29H,14-15H2,1-2H3 | 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 | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human JNK1 by radiometric assay |
Bioorg Med Chem 16: 4715-32 (2008)
Article DOI: 10.1016/j.bmc.2008.02.027
BindingDB Entry DOI: 10.7270/Q2JS9R8M |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50024847
(CHEMBL3337823)Show SMILES CCCCn1nc(C)c(c1-c1ccc(F)cc1)-c1ccc2OCC(=O)Nc2c1 Show InChI InChI=1S/C22H22FN3O2/c1-3-4-11-26-22(15-5-8-17(23)9-6-15)21(14(2)25-26)16-7-10-19-18(12-16)24-20(27)13-28-19/h5-10,12H,3-4,11,13H2,1-2H3,(H,24,27) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Displacement of [3H]aldosterone from human mineralocorticoid receptor expressed in 293 cells after 16 hrs by scintillation counting |
Bioorg Med Chem 22: 5428-45 (2014)
Article DOI: 10.1016/j.bmc.2014.07.038
BindingDB Entry DOI: 10.7270/Q218383G |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50439608
(CHEMBL2419300)Show SMILES CC1NC(=O)C(=C1c1cc(Cl)c2OCC(=O)Nc2c1)c1ccc(F)cc1 |c:5| Show InChI InChI=1S/C19H14ClFN2O3/c1-9-16(17(19(25)22-9)10-2-4-12(21)5-3-10)11-6-13(20)18-14(7-11)23-15(24)8-26-18/h2-7,9H,8H2,1H3,(H,22,25)(H,23,24) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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 |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Displacement of [3H]-Aldosterone from human MR expressed in 293 cells after 16 hrs by scintillation counting |
Bioorg Med Chem 21: 5983-94 (2013)
Article DOI: 10.1016/j.bmc.2013.07.043
BindingDB Entry DOI: 10.7270/Q2TD9ZSH |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50373195
(CHEMBL259812)Show SMILES COC(=O)c1c(-c2ccccc2)c2cc(Cl)ccc2c(=O)n1Cc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C25H20ClNO5S/c1-32-25(29)23-22(17-6-4-3-5-7-17)21-14-18(26)10-13-20(21)24(28)27(23)15-16-8-11-19(12-9-16)33(2,30)31/h3-14H,15H2,1-2H3 | 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 |
Takeda Pharmaceutical Company, Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human JNK1 by radiometric assay |
Bioorg Med Chem 16: 4715-32 (2008)
Article DOI: 10.1016/j.bmc.2008.02.027
BindingDB Entry DOI: 10.7270/Q2JS9R8M |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50376121
(CHEMBL259555)Show SMILES CCC(=O)c1c(-c2ccccc2)c2cc(Cl)ccc2c(=O)n1Cc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C26H22ClNO4S/c1-3-23(29)25-24(18-7-5-4-6-8-18)22-15-19(27)11-14-21(22)26(30)28(25)16-17-9-12-20(13-10-17)33(2,31)32/h4-15H,3,16H2,1-2H3 | 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 |
Takeda Pharmaceutical Company, Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human JNK1 by radiometric assay |
Bioorg Med Chem 16: 4699-714 (2008)
Article DOI: 10.1016/j.bmc.2008.02.028
BindingDB Entry DOI: 10.7270/Q2NP2598 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50373215
(CHEMBL259060)Show SMILES COC(=O)c1c(-c2ccccc2)c2cc(Br)ccc2c(=O)n1Cc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C25H20BrNO5S/c1-32-25(29)23-22(17-6-4-3-5-7-17)21-14-18(26)10-13-20(21)24(28)27(23)15-16-8-11-19(12-9-16)33(2,30)31/h3-14H,15H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
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 |
Takeda Pharmaceutical Company, Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human JNK1 by radiometric assay |
Bioorg Med Chem 16: 4699-714 (2008)
Article DOI: 10.1016/j.bmc.2008.02.028
BindingDB Entry DOI: 10.7270/Q2NP2598 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10
(Homo sapiens (Human)) | BDBM50373215
(CHEMBL259060)Show SMILES COC(=O)c1c(-c2ccccc2)c2cc(Br)ccc2c(=O)n1Cc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C25H20BrNO5S/c1-32-25(29)23-22(17-6-4-3-5-7-17)21-14-18(26)10-13-20(21)24(28)27(23)15-16-8-11-19(12-9-16)33(2,30)31/h3-14H,15H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
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 |
Takeda Pharmaceutical Company, Ltd
Curated by ChEMBL
| Assay Description
Inhibition of JNK3 |
Bioorg Med Chem 16: 4699-714 (2008)
Article DOI: 10.1016/j.bmc.2008.02.028
BindingDB Entry DOI: 10.7270/Q2NP2598 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 9
(Homo sapiens (Human)) | BDBM50373215
(CHEMBL259060)Show SMILES COC(=O)c1c(-c2ccccc2)c2cc(Br)ccc2c(=O)n1Cc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C25H20BrNO5S/c1-32-25(29)23-22(17-6-4-3-5-7-17)21-14-18(26)10-13-20(21)24(28)27(23)15-16-8-11-19(12-9-16)33(2,30)31/h3-14H,15H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
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 |
Takeda Pharmaceutical Company, Ltd
Curated by ChEMBL
| Assay Description
Inhibition of JNK2 |
Bioorg Med Chem 16: 4699-714 (2008)
Article DOI: 10.1016/j.bmc.2008.02.028
BindingDB Entry DOI: 10.7270/Q2NP2598 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50373215
(CHEMBL259060)Show SMILES COC(=O)c1c(-c2ccccc2)c2cc(Br)ccc2c(=O)n1Cc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C25H20BrNO5S/c1-32-25(29)23-22(17-6-4-3-5-7-17)21-14-18(26)10-13-20(21)24(28)27(23)15-16-8-11-19(12-9-16)33(2,30)31/h3-14H,15H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
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 |
Takeda Pharmaceutical Company, Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human JNK1 by radiometric assay |
Bioorg Med Chem 16: 4715-32 (2008)
Article DOI: 10.1016/j.bmc.2008.02.027
BindingDB Entry DOI: 10.7270/Q2JS9R8M |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10
(Homo sapiens (Human)) | BDBM50373215
(CHEMBL259060)Show SMILES COC(=O)c1c(-c2ccccc2)c2cc(Br)ccc2c(=O)n1Cc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C25H20BrNO5S/c1-32-25(29)23-22(17-6-4-3-5-7-17)21-14-18(26)10-13-20(21)24(28)27(23)15-16-8-11-19(12-9-16)33(2,30)31/h3-14H,15H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
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 |
Takeda Pharmaceutical Company, Ltd
Curated by ChEMBL
| Assay Description
Inhibition of JNK3 |
Bioorg Med Chem 16: 4715-32 (2008)
Article DOI: 10.1016/j.bmc.2008.02.027
BindingDB Entry DOI: 10.7270/Q2JS9R8M |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50024849
(CHEMBL3337825)Show SMILES Cc1nn(CCCC(F)(F)F)c(c1-c1ccc2OCC(=O)Nc2c1)-c1ccc(F)cc1 Show InChI InChI=1S/C22H19F4N3O2/c1-13-20(15-5-8-18-17(11-15)27-19(30)12-31-18)21(14-3-6-16(23)7-4-14)29(28-13)10-2-9-22(24,25)26/h3-8,11H,2,9-10,12H2,1H3,(H,27,30) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Antagonist activity at human mineralocorticoid receptor expressed in COS1 cells after 1 day by luciferase reporter gene assay |
Bioorg Med Chem 22: 5428-45 (2014)
Article DOI: 10.1016/j.bmc.2014.07.038
BindingDB Entry DOI: 10.7270/Q218383G |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50376116
(CHEMBL427561)Show SMILES CCC(=O)c1c(-c2ccccc2)c2cc(Cl)ccc2c(=O)n1Cc1cc(n[nH]1)C(=O)NC Show InChI InChI=1S/C24H21ClN4O3/c1-3-20(30)22-21(14-7-5-4-6-8-14)18-11-15(25)9-10-17(18)24(32)29(22)13-16-12-19(28-27-16)23(31)26-2/h4-12H,3,13H2,1-2H3,(H,26,31)(H,27,28) | 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 | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human JNK1 by radiometric assay |
Bioorg Med Chem 16: 4699-714 (2008)
Article DOI: 10.1016/j.bmc.2008.02.028
BindingDB Entry DOI: 10.7270/Q2NP2598 |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50439613
(CHEMBL2419295)Show SMILES CCN1C(C)C(=C(C1=O)c1ccc(F)cc1)c1ccc2OCC(=O)Nc2c1 |c:5| Show InChI InChI=1S/C21H19FN2O3/c1-3-24-12(2)19(20(21(24)26)13-4-7-15(22)8-5-13)14-6-9-17-16(10-14)23-18(25)11-27-17/h4-10,12H,3,11H2,1-2H3,(H,23,25) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Displacement of [3H]-Aldosterone from human MR expressed in 293 cells after 16 hrs by scintillation counting |
Bioorg Med Chem 21: 5983-94 (2013)
Article DOI: 10.1016/j.bmc.2013.07.043
BindingDB Entry DOI: 10.7270/Q2TD9ZSH |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 9
(Homo sapiens (Human)) | BDBM50373215
(CHEMBL259060)Show SMILES COC(=O)c1c(-c2ccccc2)c2cc(Br)ccc2c(=O)n1Cc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C25H20BrNO5S/c1-32-25(29)23-22(17-6-4-3-5-7-17)21-14-18(26)10-13-20(21)24(28)27(23)15-16-8-11-19(12-9-16)33(2,30)31/h3-14H,15H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd
Curated by ChEMBL
| Assay Description
Inhibition of JNK2 |
Bioorg Med Chem 16: 4715-32 (2008)
Article DOI: 10.1016/j.bmc.2008.02.027
BindingDB Entry DOI: 10.7270/Q2JS9R8M |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50024833
(CHEMBL3337821)Show SMILES Cc1nn(Cc2cccnc2)c(c1-c1ccc2OCC(=O)Nc2c1)-c1ccc(F)cc1 Show InChI InChI=1S/C24H19FN4O2/c1-15-23(18-6-9-21-20(11-18)27-22(30)14-31-21)24(17-4-7-19(25)8-5-17)29(28-15)13-16-3-2-10-26-12-16/h2-12H,13-14H2,1H3,(H,27,30) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Antagonist activity at human mineralocorticoid receptor expressed in COS1 cells after 1 day by luciferase reporter gene assay |
Bioorg Med Chem 22: 5428-45 (2014)
Article DOI: 10.1016/j.bmc.2014.07.038
BindingDB Entry DOI: 10.7270/Q218383G |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50024833
(CHEMBL3337821)Show SMILES Cc1nn(Cc2cccnc2)c(c1-c1ccc2OCC(=O)Nc2c1)-c1ccc(F)cc1 Show InChI InChI=1S/C24H19FN4O2/c1-15-23(18-6-9-21-20(11-18)27-22(30)14-31-21)24(17-4-7-19(25)8-5-17)29(28-15)13-16-3-2-10-26-12-16/h2-12H,13-14H2,1H3,(H,27,30) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Displacement of [3H]aldosterone from human mineralocorticoid receptor expressed in 293 cells after 16 hrs by scintillation counting |
Bioorg Med Chem 22: 5428-45 (2014)
Article DOI: 10.1016/j.bmc.2014.07.038
BindingDB Entry DOI: 10.7270/Q218383G |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50024857
(CHEMBL3337830)Show SMILES Cc1nn(CC(F)(F)CCO)c(c1-c1ccc2OCC(=O)Nc2c1)-c1ccc(F)cc1 Show InChI InChI=1S/C22H20F3N3O3/c1-13-20(15-4-7-18-17(10-15)26-19(30)11-31-18)21(14-2-5-16(23)6-3-14)28(27-13)12-22(24,25)8-9-29/h2-7,10,29H,8-9,11-12H2,1H3,(H,26,30) | PDB
MMDB
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 |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Displacement of [3H]aldosterone from human mineralocorticoid receptor expressed in 293 cells after 16 hrs by scintillation counting |
Bioorg Med Chem 22: 5428-45 (2014)
Article DOI: 10.1016/j.bmc.2014.07.038
BindingDB Entry DOI: 10.7270/Q218383G |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50359649
(CHEMBL1929039)Show SMILES Cc1cc(F)ccc1-n1nc(cc1-c1ccc2OCC(=O)Nc2c1)C(F)(F)F Show InChI InChI=1S/C19H13F4N3O2/c1-10-6-12(20)3-4-14(10)26-15(8-17(25-26)19(21,22)23)11-2-5-16-13(7-11)24-18(27)9-28-16/h2-8H,9H2,1H3,(H,24,27) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Displacement of [3H]aldosterone from human mineralocorticoid receptor expressed in 293 cells after 16 hrs by scintillation counting |
Bioorg Med Chem 22: 5428-45 (2014)
Article DOI: 10.1016/j.bmc.2014.07.038
BindingDB Entry DOI: 10.7270/Q218383G |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50373206
(CHEMBL410707)Show SMILES COC(=O)c1c(-c2ccccc2)c2cc(Br)ccc2c(=O)n1Cc1ccc(OC)cc1 Show InChI InChI=1S/C25H20BrNO4/c1-30-19-11-8-16(9-12-19)15-27-23(25(29)31-2)22(17-6-4-3-5-7-17)21-14-18(26)10-13-20(21)24(27)28/h3-14H,15H2,1-2H3 | 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 | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human JNK1 by radiometric assay |
Bioorg Med Chem 16: 4715-32 (2008)
Article DOI: 10.1016/j.bmc.2008.02.027
BindingDB Entry DOI: 10.7270/Q2JS9R8M |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50439607
(CHEMBL2419301)Show SMILES CC1NC(=O)C(=C1c1cc(C)c2OCC(=O)Nc2c1)c1ccc(F)cc1 |c:5| Show InChI InChI=1S/C20H17FN2O3/c1-10-7-13(8-15-19(10)26-9-16(24)23-15)17-11(2)22-20(25)18(17)12-3-5-14(21)6-4-12/h3-8,11H,9H2,1-2H3,(H,22,25)(H,23,24) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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 |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Displacement of [3H]-Aldosterone from human MR expressed in 293 cells after 16 hrs by scintillation counting |
Bioorg Med Chem 21: 5983-94 (2013)
Article DOI: 10.1016/j.bmc.2013.07.043
BindingDB Entry DOI: 10.7270/Q2TD9ZSH |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50439607
(CHEMBL2419301)Show SMILES CC1NC(=O)C(=C1c1cc(C)c2OCC(=O)Nc2c1)c1ccc(F)cc1 |c:5| Show InChI InChI=1S/C20H17FN2O3/c1-10-7-13(8-15-19(10)26-9-16(24)23-15)17-11(2)22-20(25)18(17)12-3-5-14(21)6-4-12/h3-8,11H,9H2,1-2H3,(H,22,25)(H,23,24) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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 |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Displacement of [3H]aldosterone from human mineralocorticoid receptor expressed in 293 cells after 16 hrs by scintillation counting |
Bioorg Med Chem 22: 5428-45 (2014)
Article DOI: 10.1016/j.bmc.2014.07.038
BindingDB Entry DOI: 10.7270/Q218383G |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50359649
(CHEMBL1929039)Show SMILES Cc1cc(F)ccc1-n1nc(cc1-c1ccc2OCC(=O)Nc2c1)C(F)(F)F Show InChI InChI=1S/C19H13F4N3O2/c1-10-6-12(20)3-4-14(10)26-15(8-17(25-26)19(21,22)23)11-2-5-16-13(7-11)24-18(27)9-28-16/h2-8H,9H2,1H3,(H,24,27) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Antagonist activity at human mineralocorticoid receptor expressed in COS1 cells after 1 day by luciferase reporter gene assay |
Bioorg Med Chem 22: 5428-45 (2014)
Article DOI: 10.1016/j.bmc.2014.07.038
BindingDB Entry DOI: 10.7270/Q218383G |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50376117
(CHEMBL406408)Show SMILES CCNC(=O)n1cc(Cn2c(C(=O)CC)c(-c3ccccc3)c3cc(Cl)ccc3c2=O)cn1 Show InChI InChI=1S/C25H23ClN4O3/c1-3-21(31)23-22(17-8-6-5-7-9-17)20-12-18(26)10-11-19(20)24(32)29(23)14-16-13-28-30(15-16)25(33)27-4-2/h5-13,15H,3-4,14H2,1-2H3,(H,27,33) | 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 | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human JNK1 by radiometric assay |
Bioorg Med Chem 16: 4699-714 (2008)
Article DOI: 10.1016/j.bmc.2008.02.028
BindingDB Entry DOI: 10.7270/Q2NP2598 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50373203
(CHEMBL407956)Show SMILES COC(=O)c1c(-c2ccccc2)c2cc(Br)ccc2c(=O)n1Cc1ccc(N)cc1 Show InChI InChI=1S/C24H19BrN2O3/c1-30-24(29)22-21(16-5-3-2-4-6-16)20-13-17(25)9-12-19(20)23(28)27(22)14-15-7-10-18(26)11-8-15/h2-13H,14,26H2,1H3 | 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 | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human JNK1 by radiometric assay |
Bioorg Med Chem 16: 4715-32 (2008)
Article DOI: 10.1016/j.bmc.2008.02.027
BindingDB Entry DOI: 10.7270/Q2JS9R8M |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50024847
(CHEMBL3337823)Show SMILES CCCCn1nc(C)c(c1-c1ccc(F)cc1)-c1ccc2OCC(=O)Nc2c1 Show InChI InChI=1S/C22H22FN3O2/c1-3-4-11-26-22(15-5-8-17(23)9-6-15)21(14(2)25-26)16-7-10-19-18(12-16)24-20(27)13-28-19/h5-10,12H,3-4,11,13H2,1-2H3,(H,24,27) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Antagonist activity at human mineralocorticoid receptor expressed in COS1 cells after 1 day by luciferase reporter gene assay |
Bioorg Med Chem 22: 5428-45 (2014)
Article DOI: 10.1016/j.bmc.2014.07.038
BindingDB Entry DOI: 10.7270/Q218383G |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50373201
(CHEMBL261186)Show SMILES COC(=O)c1c(-c2ccccc2)c2cc(Br)ccc2c(=O)n1Cc1ccc(NS(=O)(=O)c2ccccc2)cc1 Show InChI InChI=1S/C30H23BrN2O5S/c1-38-30(35)28-27(21-8-4-2-5-9-21)26-18-22(31)14-17-25(26)29(34)33(28)19-20-12-15-23(16-13-20)32-39(36,37)24-10-6-3-7-11-24/h2-18,32H,19H2,1H3 | 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 | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human JNK1 by radiometric assay |
Bioorg Med Chem 16: 4715-32 (2008)
Article DOI: 10.1016/j.bmc.2008.02.027
BindingDB Entry DOI: 10.7270/Q2JS9R8M |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50228080
(2',15'-dimethyl-5,5'-dioxo-(9'R)-spiro[tetrahydrof...)Show SMILES CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]33CCC(=O)O3)[C@H]12 |r,t:6| Show InChI InChI=1S/C24H32O4S/c1-14(25)29-19-13-15-12-16(26)4-8-22(15,2)17-5-9-23(3)18(21(17)19)6-10-24(23)11-7-20(27)28-24/h12,17-19,21H,4-11,13H2,1-3H3/t17-,18-,19+,21+,22-,23-,24+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
MMDB
PDB
Article
PubMed
| n/a | n/a | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Displacement of [3H]aldosterone from human mineralocorticoid receptor expressed in 293 cells after 16 hrs by scintillation counting |
Bioorg Med Chem 22: 5428-45 (2014)
Article DOI: 10.1016/j.bmc.2014.07.038
BindingDB Entry DOI: 10.7270/Q218383G |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50024848
(CHEMBL3337824)Show SMILES CC(C)Cn1nc(C)c(c1-c1ccc(F)cc1)-c1ccc2OCC(=O)Nc2c1 Show InChI InChI=1S/C22H22FN3O2/c1-13(2)11-26-22(15-4-7-17(23)8-5-15)21(14(3)25-26)16-6-9-19-18(10-16)24-20(27)12-28-19/h4-10,13H,11-12H2,1-3H3,(H,24,27) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Antagonist activity at human mineralocorticoid receptor expressed in COS1 cells after 1 day by luciferase reporter gene assay |
Bioorg Med Chem 22: 5428-45 (2014)
Article DOI: 10.1016/j.bmc.2014.07.038
BindingDB Entry DOI: 10.7270/Q218383G |
More data for this
Ligand-Target Pair | |
Search and Browse
