BindingDB PrimarySearch

BDBM50337926 (R)-3-(2,3-dihydroxypropyl)-6-fluoro-5-(2-fluoro-4-iodophenylamino)-8-methylpyrido[2,3-d]pyrimidine-4,7(3H,8H)-dione::3-[(2R)-2,3-dihydroxypropyl]-6-fluoro-5-[(2-fluoro-4-iodophenyl)amino]-8-methylpyrido[2,3-d]pyrimidine-4,7(3H,8H)-dione::CHEMBL1615025::US8470837, 18

SMILES: Cn1c2ncn(C[C@@H](O)CO)c(=O)c2c(Nc2ccc(I)cc2F)c(F)c1=O

InChI Key: InChIKey=RCLQNICOARASSR-SECBINFHSA-N

Data: 4 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50337926
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50337926 ((R)-3-(2,3-dihydroxypropyl)-6-fluoro-5-(2-fluoro-4...) Show SMILES Show InChI	PDB MMDB B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB US Patent	n/a	n/a	<5	n/a	n/a	n/a	n/a	7.3	25
Takeda Pharmaceutical Company Limted US Patent					Assay Description Reaction product is determined quantitatively by fluorescent polarization using progressive IMAP beads from Molecular Devices.				US Patent US8470837 (2013) BindingDB Entry DOI: 10.7270/Q2N29VJ4
Takeda Pharmaceutical Company Limted US Patent					More data for this Ligand-Target Pair				3D Structure (crystal)
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50337926 ((R)-3-(2,3-dihydroxypropyl)-6-fluoro-5-(2-fluoro-4...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Takeda San Diego Curated by ChEMBL					Assay Description Inhibition of MEK1 by IMAP assay				Bioorg Med Chem Lett 21: 1315-9 (2011) Article DOI: 10.1016/j.bmcl.2011.01.071 BindingDB Entry DOI: 10.7270/Q2833SB8
Takeda San Diego Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50337926 ((R)-3-(2,3-dihydroxypropyl)-6-fluoro-5-(2-fluoro-4...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB 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 (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
Shanghai Hengrui Pharmaceutical Co., Ltd Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50337926 ((R)-3-(2,3-dihydroxypropyl)-6-fluoro-5-(2-fluoro-4...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	6.90	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
Shanghai Hengrui Pharmaceutical Co., Ltd Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)