Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 546.5 BDBM50384544

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

Found 2 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))	BDBM50384544 (CHEMBL2036610) Show SMILES Fc1ccc(cc1)-c1ccc(o1)C1=NOC(N1c1ccc(cc1)N1CCNCC1)c1ccccc1-c1cncnc1 |t:14| Show InChI InChI=1S/C32H27FN6O2/c33-24-7-5-22(6-8-24)29-13-14-30(40-29)31-37-41-32(28-4-2-1-3-27(28)23-19-35-21-36-20-23)39(31)26-11-9-25(10-12-26)38-17-15-34-16-18-38/h1-14,19-21,32,34H,15-18H2	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	50	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of MK2 using 5TAMRA-KKLNRTLSVA-COOH as substrate incubated for 30 mins prior to substrate addition measured after 30 mins by immobilized m...				ACS Med Chem Lett 3: 100-105 (2012) Article DOI: 10.1021/ml200238g BindingDB Entry DOI: 10.7270/Q2K0759N
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50384544 (CHEMBL2036610) Show SMILES Fc1ccc(cc1)-c1ccc(o1)C1=NOC(N1c1ccc(cc1)N1CCNCC1)c1ccccc1-c1cncnc1 |t:14| Show InChI InChI=1S/C32H27FN6O2/c33-24-7-5-22(6-8-24)29-13-14-30(40-29)31-37-41-32(28-4-2-1-3-27(28)23-19-35-21-36-20-23)39(31)26-11-9-25(10-12-26)38-17-15-34-16-18-38/h1-14,19-21,32,34H,15-18H2	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	n/a	n/a	760	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of MK2 in human THP1 cells assessed as inhibition of LPS-induced HSP27 Ser78 phosphorylation incubated for 60 mins prior to LPS-induction ...				ACS Med Chem Lett 3: 100-105 (2012) Article DOI: 10.1021/ml200238g BindingDB Entry DOI: 10.7270/Q2K0759N
					More data for this Ligand-Target Pair