BDBM50530338 CHEMBL1621959

SMILES: OC(=O)c1ccc(Nc2nc(cs2)-c2ccccc2)cc1

InChI Key: InChIKey=UGLHSEDBIJMFOC-UHFFFAOYSA-N

Data: 2 KI  2 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 = 50530338   

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))	BDBM50530338 (CHEMBL1621959) Show SMILES OC(=O)c1ccc(Nc2nc(cs2)-c2ccccc2)cc1 Show InChI InChI=1S/C16H12N2O2S/c19-15(20)12-6-8-13(9-7-12)17-16-18-14(10-21-16)11-4-2-1-3-5-11/h1-10H,(H,17,18)(H,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Mixed-type inhibition of recombinant human GST-tagged CK2alpha in presence of ATP by Lineweaver-Burk plot analysis				J Med Chem 62: 1803-1816 (2019) Article DOI: 10.1021/acs.jmedchem.8b01766
					More data for this Ligand-Target Pair				3D Structure (crystal)
Casein kinase II subunit alpha (Homo sapiens (Human))	BDBM50530338 (CHEMBL1621959) Show SMILES OC(=O)c1ccc(Nc2nc(cs2)-c2ccccc2)cc1 Show InChI InChI=1S/C16H12N2O2S/c19-15(20)12-6-8-13(9-7-12)17-16-18-14(10-21-16)11-4-2-1-3-5-11/h1-10H,(H,17,18)(H,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Mixed-type inhibition of recombinant human GST-tagged CK2alpha in presence of ATP by Lineweaver-Burk plot analysis				J Med Chem 62: 1803-1816 (2019) Article DOI: 10.1021/acs.jmedchem.8b01766
					More data for this Ligand-Target Pair				3D Structure (crystal)
Casein kinase 2 (Homo sapiens (Human))	BDBM50530338 (CHEMBL1621959) Show SMILES OC(=O)c1ccc(Nc2nc(cs2)-c2ccccc2)cc1 Show InChI InChI=1S/C16H12N2O2S/c19-15(20)12-6-8-13(9-7-12)17-16-18-14(10-21-16)11-4-2-1-3-5-11/h1-10H,(H,17,18)(H,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB	n/a	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)
Casein kinase II subunit alpha (Homo sapiens (Human))	BDBM50530338 (CHEMBL1621959) Show SMILES OC(=O)c1ccc(Nc2nc(cs2)-c2ccccc2)cc1 Show InChI InChI=1S/C16H12N2O2S/c19-15(20)12-6-8-13(9-7-12)17-16-18-14(10-21-16)11-4-2-1-3-5-11/h1-10H,(H,17,18)(H,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged CK2alpha in presence of ATP by radiometric kinase assay				J Med Chem 62: 1803-1816 (2019) Article DOI: 10.1021/acs.jmedchem.8b01766
					More data for this Ligand-Target Pair				3D Structure (crystal)
Casein kinase II subunit alpha (Homo sapiens (Human))	BDBM50530338 (CHEMBL1621959) Show SMILES OC(=O)c1ccc(Nc2nc(cs2)-c2ccccc2)cc1 Show InChI InChI=1S/C16H12N2O2S/c19-15(20)12-6-8-13(9-7-12)17-16-18-14(10-21-16)11-4-2-1-3-5-11/h1-10H,(H,17,18)(H,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged CK2alpha in presence of ATP by radiometric kinase assay				J Med Chem 62: 1803-1816 (2019) Article DOI: 10.1021/acs.jmedchem.8b01766
					More data for this Ligand-Target Pair				3D Structure (crystal)