BDBM50014412 PIMASERTIB::Pimasertib::US11147816, Pimasertib (AS703026)

SMILES: [H][C@@](O)(CO)CNC(=O)c1ccncc1Nc1ccc(I)cc1F

InChI Key: InChIKey=VIUAUNHCRHHYNE-JTQLQIEISA-N

Data: 3 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 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 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 | US11147816, Pimasertib (...) Show SMILES OC[C@@H](O)CNC(=O)c1ccncc1Nc1ccc(I)cc1F 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 DrugBank antibodypedia GoogleScholar	Purchase MCE 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)
VHL-MAP2K1/MAP2K2 (Homo sapiens (Human))	BDBM50014412 (PIMASERTIB | Pimasertib | US11147816, Pimasertib (...) Show SMILES OC[C@@H](O)CNC(=O)c1ccncc1Nc1ccc(I)cc1F 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 DrugBank antibodypedia GoogleScholar	Purchase MCE PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GENUV Inc. US Patent					Assay Description The IC50 for MEK1 and 2 can be measured by methods in references such as [Yamaguchi et al. (2011) International Journal of Oncology 39:23-31].				US Patent US11147816 (2021)
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50014412 (PIMASERTIB | Pimasertib | US11147816, Pimasertib (...) Show SMILES OC[C@@H](O)CNC(=O)c1ccncc1Nc1ccc(I)cc1F 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 DrugBank antibodypedia GoogleScholar	Purchase MCE 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)