Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 348.4 BDBM50297123

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))	BDBM50297123 ((R)-9-Methyl-2-phenyl-8,9,10,11-tetrahydro-3-oxa-6...) Show SMILES C[C@@H]1CNc2c(sc3ccc4oc(cc4c23)-c2ccccc2)C(=O)N1 |r| Show InChI InChI=1S/C20H16N2O2S/c1-11-10-21-18-17-13-9-15(12-5-3-2-4-6-12)24-14(13)7-8-16(17)25-19(18)20(23)22-11/h2-9,11,21H,10H2,1H3,(H,22,23)/t11-/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	150	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
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50297123 ((R)-9-Methyl-2-phenyl-8,9,10,11-tetrahydro-3-oxa-6...) Show SMILES C[C@@H]1CNc2c(sc3ccc4oc(cc4c23)-c2ccccc2)C(=O)N1 |r| Show InChI InChI=1S/C20H16N2O2S/c1-11-10-21-18-17-13-9-15(12-5-3-2-4-6-12)24-14(13)7-8-16(17)25-19(18)20(23)22-11/h2-9,11,21H,10H2,1H3,(H,22,23)/t11-/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	250	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
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50297123 ((R)-9-Methyl-2-phenyl-8,9,10,11-tetrahydro-3-oxa-6...) Show SMILES C[C@@H]1CNc2c(sc3ccc4oc(cc4c23)-c2ccccc2)C(=O)N1 |r| Show InChI InChI=1S/C20H16N2O2S/c1-11-10-21-18-17-13-9-15(12-5-3-2-4-6-12)24-14(13)7-8-16(17)25-19(18)20(23)22-11/h2-9,11,21H,10H2,1H3,(H,22,23)/t11-/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	6.80E+3	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