Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'MAP kinase-activated protein kinase 2' and Ligand = 'BDBM50384542'   

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))	BDBM50384542 (CHEMBL2036616) Show SMILES N#Cc1ccc(cc1)-c1ccc(o1)C1=NOC(N1c1ccc(cc1)N1CCNCC1)c1ccccc1-c1cncnc1 |t:15| Show InChI InChI=1S/C33H27N7O2/c34-19-23-5-7-24(8-6-23)30-13-14-31(41-30)32-38-42-33(29-4-2-1-3-28(29)25-20-36-22-37-21-25)40(32)27-11-9-26(10-12-27)39-17-15-35-16-18-39/h1-14,20-22,33,35H,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	6	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))	BDBM50384542 (CHEMBL2036616) Show SMILES N#Cc1ccc(cc1)-c1ccc(o1)C1=NOC(N1c1ccc(cc1)N1CCNCC1)c1ccccc1-c1cncnc1 |t:15| Show InChI InChI=1S/C33H27N7O2/c34-19-23-5-7-24(8-6-23)30-13-14-31(41-30)32-38-42-33(29-4-2-1-3-28(29)25-20-36-22-37-21-25)40(32)27-11-9-26(10-12-27)39-17-15-35-16-18-39/h1-14,20-22,33,35H,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	8	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))	BDBM50384542 (CHEMBL2036616) Show SMILES N#Cc1ccc(cc1)-c1ccc(o1)C1=NOC(N1c1ccc(cc1)N1CCNCC1)c1ccccc1-c1cncnc1 |t:15| Show InChI InChI=1S/C33H27N7O2/c34-19-23-5-7-24(8-6-23)30-13-14-31(41-30)32-38-42-33(29-4-2-1-3-28(29)25-20-36-22-37-21-25)40(32)27-11-9-26(10-12-27)39-17-15-35-16-18-39/h1-14,20-22,33,35H,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	8	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))	BDBM50384542 (CHEMBL2036616) Show SMILES N#Cc1ccc(cc1)-c1ccc(o1)C1=NOC(N1c1ccc(cc1)N1CCNCC1)c1ccccc1-c1cncnc1 |t:15| Show InChI InChI=1S/C33H27N7O2/c34-19-23-5-7-24(8-6-23)30-13-14-31(41-30)32-38-42-33(29-4-2-1-3-28(29)25-20-36-22-37-21-25)40(32)27-11-9-26(10-12-27)39-17-15-35-16-18-39/h1-14,20-22,33,35H,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	1.20E+3	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
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50384542 (CHEMBL2036616) Show SMILES N#Cc1ccc(cc1)-c1ccc(o1)C1=NOC(N1c1ccc(cc1)N1CCNCC1)c1ccccc1-c1cncnc1 |t:15| Show InChI InChI=1S/C33H27N7O2/c34-19-23-5-7-24(8-6-23)30-13-14-31(41-30)32-38-42-33(29-4-2-1-3-28(29)25-20-36-22-37-21-25)40(32)27-11-9-26(10-12-27)39-17-15-35-16-18-39/h1-14,20-22,33,35H,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	1.20E+3	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