Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 361.4 BDBM50297114

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 hits in this display   

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
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50297114 ((R)-10-Methyl-3-pyrimidin-5-yl-9,10,11,12-tetrahyd...) Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(ccc4c23)-c2cncnc2)C(=O)N1 |r| Show InChI InChI=1S/C19H15N5OS/c1-10-6-22-17-16-12-2-3-13(11-7-20-9-21-8-11)24-14(12)4-5-15(16)26-18(17)19(25)23-10/h2-5,7-10,22H,6H2,1H3,(H,23,25)/t10-/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	23	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of MK2				Bioorg Med Chem Lett 19: 4882-4 (2009) Article DOI: 10.1016/j.bmcl.2009.02.017 BindingDB Entry DOI: 10.7270/Q2J38SM7
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50297114 ((R)-10-Methyl-3-pyrimidin-5-yl-9,10,11,12-tetrahyd...) Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(ccc4c23)-c2cncnc2)C(=O)N1 |r| Show InChI InChI=1S/C19H15N5OS/c1-10-6-22-17-16-12-2-3-13(11-7-20-9-21-8-11)24-14(12)4-5-15(16)26-18(17)19(25)23-10/h2-5,7-10,22H,6H2,1H3,(H,23,25)/t10-/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	640	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of MK2 in human U937 cells assessed as blockade of LPS-stimulated TNFalpha production				Bioorg Med Chem Lett 19: 4882-4 (2009) Article DOI: 10.1016/j.bmcl.2009.02.017 BindingDB Entry DOI: 10.7270/Q2J38SM7
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50297114 ((R)-10-Methyl-3-pyrimidin-5-yl-9,10,11,12-tetrahyd...) Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(ccc4c23)-c2cncnc2)C(=O)N1 |r| Show InChI InChI=1S/C19H15N5OS/c1-10-6-22-17-16-12-2-3-13(11-7-20-9-21-8-11)24-14(12)4-5-15(16)26-18(17)19(25)23-10/h2-5,7-10,22H,6H2,1H3,(H,23,25)/t10-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.08E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of CDK2				Bioorg Med Chem Lett 19: 4882-4 (2009) Article DOI: 10.1016/j.bmcl.2009.02.017 BindingDB Entry DOI: 10.7270/Q2J38SM7
					More data for this Ligand-Target Pair