BDBM50392984 CHEMBL2152384
SMILES: COC(=O)c1c(Cc2ccc(cc2)C(=O)N[C@H](CO)C(C)(C)C)c(=O)c2cccnc2n1-c1ccccc1
InChI Key: InChIKey=BFEHXUOUWNWPEO-XMMPIXPASA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50392984 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50392984
(CHEMBL2152384)Show SMILES COC(=O)c1c(Cc2ccc(cc2)C(=O)N[C@H](CO)C(C)(C)C)c(=O)c2cccnc2n1-c1ccccc1 |r| Show InChI InChI=1S/C30H31N3O5/c1-30(2,3)24(18-34)32-28(36)20-14-12-19(13-15-20)17-23-25(29(37)38-4)33(21-9-6-5-7-10-21)27-22(26(23)35)11-8-16-31-27/h5-16,24,34H,17-18H2,1-4H3,(H,32,36)/t24-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 3.30E+3 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of JNK1-mediated c-jun phosphorylation in TNF-alpha stimulated human HK-2 cells after 30 mins by TR-FRET assay |
ACS Med Chem Lett 3: 764-768 (2012)
Article DOI: 10.1021/ml300175c BindingDB Entry DOI: 10.7270/Q22808P8 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50392984
(CHEMBL2152384)Show SMILES COC(=O)c1c(Cc2ccc(cc2)C(=O)N[C@H](CO)C(C)(C)C)c(=O)c2cccnc2n1-c1ccccc1 |r| Show InChI InChI=1S/C30H31N3O5/c1-30(2,3)24(18-34)32-28(36)20-14-12-19(13-15-20)17-23-25(29(37)38-4)33(21-9-6-5-7-10-21)27-22(26(23)35)11-8-16-31-27/h5-16,24,34H,17-18H2,1-4H3,(H,32,36)/t24-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of JNK1 after 30 mins by TR-FRET assay |
ACS Med Chem Lett 3: 764-768 (2012)
Article DOI: 10.1021/ml300175c BindingDB Entry DOI: 10.7270/Q22808P8 |
More data for this Ligand-Target Pair | |