BDBM50014412 PIMASERTIB::Pimasertib
SMILES: [H][C@@](O)(CO)CNC(=O)c1ccncc1Nc1ccc(I)cc1F
InChI Key: InChIKey=VIUAUNHCRHHYNE-JTQLQIEISA-N
Data: 2 IC50
PDB links: 1 PDB ID matches this monomer.
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50014412 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 |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50014412
(PIMASERTIB | Pimasertib)Show SMILES [H][C@@](O)(CO)CNC(=O)c1ccncc1Nc1ccc(I)cc1F |r| Show InChI InChI=1S/C15H15FIN3O3/c16-12-5-9(17)1-2-13(12)20-14-7-18-4-3-11(14)15(23)19-6-10(22)8-21/h1-5,7,10,20-22H,6,8H2,(H,19,23)/t10-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Hengrui Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of MEK1 (unknown origin) |
Bioorg Med Chem Lett 24: 2555-9 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.086 BindingDB Entry DOI: 10.7270/Q2PG1T73 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50014412
(PIMASERTIB | Pimasertib)Show SMILES [H][C@@](O)(CO)CNC(=O)c1ccncc1Nc1ccc(I)cc1F |r| Show InChI InChI=1S/C15H15FIN3O3/c16-12-5-9(17)1-2-13(12)20-14-7-18-4-3-11(14)15(23)19-6-10(22)8-21/h1-5,7,10,20-22H,6,8H2,(H,19,23)/t10-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Hengrui Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of MEK1 in human COLO205 cells |
Bioorg Med Chem Lett 24: 2555-9 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.086 BindingDB Entry DOI: 10.7270/Q2PG1T73 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |