BDBM50348495 CHEMBL1614995

SMILES: COCCOc1cncc(c1)-c1cc2c3[nH]c4CCNC(=O)c4c3ccc2cn1

InChI Key: InChIKey=ZYTDQGRQFPNBGA-UHFFFAOYSA-N

Data: 5 IC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50348495   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50348495 (CHEMBL1614995) Show SMILES COCCOc1cncc(c1)-c1cc2c3[nH]c4CCNC(=O)c4c3ccc2cn1 Show InChI InChI=1S/C22H20N4O3/c1-28-6-7-29-15-8-14(10-23-12-15)19-9-17-13(11-25-19)2-3-16-20-18(26-21(16)17)4-5-24-22(20)27/h2-3,8-12,26H,4-7H2,1H3,(H,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human MK2 using biotinyl-AYSRALSRQLSSGVSEIRCOOH as substrate after 45 mins by FRET analysis				Bioorg Med Chem Lett 20: 4719-23 (2010) Checked by Author Article DOI: 10.1016/j.bmcl.2010.04.023 BindingDB Entry DOI: 10.7270/Q2BZ66C2
					More data for this Ligand-Target Pair				3D Structure (crystal)
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50348495 (CHEMBL1614995) Show SMILES COCCOc1cncc(c1)-c1cc2c3[nH]c4CCNC(=O)c4c3ccc2cn1 Show InChI InChI=1S/C22H20N4O3/c1-28-6-7-29-15-8-14(10-23-12-15)19-9-17-13(11-25-19)2-3-16-20-18(26-21(16)17)4-5-24-22(20)27/h2-3,8-12,26H,4-7H2,1H3,(H,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of MK2 mediated anisomycin-stimulated hsp27 phosphorylation in human THP-1 cells by fluorometric analysis				Bioorg Med Chem Lett 20: 4719-23 (2010) Checked by Author Article DOI: 10.1016/j.bmcl.2010.04.023 BindingDB Entry DOI: 10.7270/Q2BZ66C2
					More data for this Ligand-Target Pair				3D Structure (crystal)
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50348495 (CHEMBL1614995) Show SMILES COCCOc1cncc(c1)-c1cc2c3[nH]c4CCNC(=O)c4c3ccc2cn1 Show InChI InChI=1S/C22H20N4O3/c1-28-6-7-29-15-8-14(10-23-12-15)19-9-17-13(11-25-19)2-3-16-20-18(26-21(16)17)4-5-24-22(20)27/h2-3,8-12,26H,4-7H2,1H3,(H,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of MK2 in human THP-1 cells assessed as inhibition of anisomycin stimulated ser78-hsp27 phosphorylation after 10 mins by FACS analysis				Bioorg Med Chem Lett 20: 4715-8 (2010) Article DOI: 10.1016/j.bmcl.2010.04.024 BindingDB Entry DOI: 10.7270/Q2765FNN
					More data for this Ligand-Target Pair				3D Structure (crystal)
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50348495 (CHEMBL1614995) Show SMILES COCCOc1cncc(c1)-c1cc2c3[nH]c4CCNC(=O)c4c3ccc2cn1 Show InChI InChI=1S/C22H20N4O3/c1-28-6-7-29-15-8-14(10-23-12-15)19-9-17-13(11-25-19)2-3-16-20-18(26-21(16)17)4-5-24-22(20)27/h2-3,8-12,26H,4-7H2,1H3,(H,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human MK2 using hsp27 peptide biotinyl-AYSRALSRQLSSGVSEIRCOOH as substrate after 45 mins by FRET assay				Bioorg Med Chem Lett 20: 4715-8 (2010) Article DOI: 10.1016/j.bmcl.2010.04.024 BindingDB Entry DOI: 10.7270/Q2765FNN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM50348495 (CHEMBL1614995) Show SMILES COCCOc1cncc(c1)-c1cc2c3[nH]c4CCNC(=O)c4c3ccc2cn1 Show InChI InChI=1S/C22H20N4O3/c1-28-6-7-29-15-8-14(10-23-12-15)19-9-17-13(11-25-19)2-3-16-20-18(26-21(16)17)4-5-24-22(20)27/h2-3,8-12,26H,4-7H2,1H3,(H,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	649	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of JNK2				Bioorg Med Chem Lett 20: 4715-8 (2010) Article DOI: 10.1016/j.bmcl.2010.04.024 BindingDB Entry DOI: 10.7270/Q2765FNN
					More data for this Ligand-Target Pair