BDBM50420563 CHEMBL2087023

SMILES: COc1ccc(cc1)C(=O)Nc1ncc(s1)-c1ccc(cc1)C(O)=O

InChI Key: InChIKey=UPIVZLFKYMNZDG-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 = 50420563   

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
Casein kinase II subunit alpha' (Homo sapiens (Human))	BDBM50420563 (CHEMBL2087023) Show SMILES COc1ccc(cc1)C(=O)Nc1ncc(s1)-c1ccc(cc1)C(O)=O Show InChI InChI=1S/C18H14N2O4S/c1-24-14-8-6-12(7-9-14)16(21)20-18-19-10-15(25-18)11-2-4-13(5-3-11)17(22)23/h2-10H,1H3,(H,22,23)(H,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Inhibition of GST-tagged human CK2alpha' (1 to 350 residues) using CK2tide as substrate incubated for 1 hr by off-chip mobility shift assay				Bioorg Med Chem 24: 1136-41 (2016) BindingDB Entry DOI: 10.7270/Q2BK1F7G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Casein kinase II subunit alpha (Homo sapiens (Human))	BDBM50420563 (CHEMBL2087023) Show SMILES COc1ccc(cc1)C(=O)Nc1ncc(s1)-c1ccc(cc1)C(O)=O Show InChI InChI=1S/C18H14N2O4S/c1-24-14-8-6-12(7-9-14)16(21)20-18-19-10-15(25-18)11-2-4-13(5-3-11)17(22)23/h2-10H,1H3,(H,22,23)(H,19,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Inhibition of GST-tagged human CK2alpha (1 to 391 residues) using CK2tide as substrate incubated for 1 hr by off-chip mobility shift assay				Bioorg Med Chem 24: 1136-41 (2016) BindingDB Entry DOI: 10.7270/Q2BK1F7G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Casein kinase II subunit alpha' (Homo sapiens (Human))	BDBM50420563 (CHEMBL2087023) Show SMILES COc1ccc(cc1)C(=O)Nc1ncc(s1)-c1ccc(cc1)C(O)=O Show InChI InChI=1S/C18H14N2O4S/c1-24-14-8-6-12(7-9-14)16(21)20-18-19-10-15(25-18)11-2-4-13(5-3-11)17(22)23/h2-10H,1H3,(H,22,23)(H,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Competitive inhibition of GST fused human CK2alpha' expressed in Escherichia coli BL21 after 10 mins in presence of ATP				J Med Chem 55: 2899-903 (2012) Article DOI: 10.1021/jm2015167 BindingDB Entry DOI: 10.7270/Q2445NRV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Casein kinase II subunit alpha (Homo sapiens (Human))	BDBM50420563 (CHEMBL2087023) Show SMILES COc1ccc(cc1)C(=O)Nc1ncc(s1)-c1ccc(cc1)C(O)=O Show InChI InChI=1S/C18H14N2O4S/c1-24-14-8-6-12(7-9-14)16(21)20-18-19-10-15(25-18)11-2-4-13(5-3-11)17(22)23/h2-10H,1H3,(H,22,23)(H,19,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Competitive inhibition of GST fused human CK2alpha expressed in Escherichia coli BL21 after 10 mins in presence of ATP				J Med Chem 55: 2899-903 (2012) Article DOI: 10.1021/jm2015167 BindingDB Entry DOI: 10.7270/Q2445NRV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Casein kinase II subunit alpha (Homo sapiens (Human))	BDBM50420563 (CHEMBL2087023) Show SMILES COc1ccc(cc1)C(=O)Nc1ncc(s1)-c1ccc(cc1)C(O)=O Show InChI InChI=1S/C18H14N2O4S/c1-24-14-8-6-12(7-9-14)16(21)20-18-19-10-15(25-18)11-2-4-13(5-3-11)17(22)23/h2-10H,1H3,(H,22,23)(H,19,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Beijing University of Technology Curated by ChEMBL					Assay Description Inhibition of human CK2alpha (2 to 391 residues) using [33P]-ATP by scintillation counting based radioactive filter binding assay				Bioorg Med Chem Lett 26: 3594-7 (2016) BindingDB Entry DOI: 10.7270/Q2V40X4Q
					More data for this Ligand-Target Pair				3D Structure (crystal)