BDBM50252622 CHEMBL4070389

SMILES: OC(=O)c1cccc(NC(=O)CCNC(=O)CCNCc2ccc(c(Cl)c2)-c2ccccc2)c1

InChI Key: InChIKey=NZDQDPKZQDWCOF-UHFFFAOYSA-N

Data: 2 IC50  3 Kd

PDB links: 2 PDB IDs match 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 = 50252622   

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))	BDBM50252622 (CHEMBL4070389) Show SMILES OC(=O)c1cccc(NC(=O)CCNC(=O)CCNCc2ccc(c(Cl)c2)-c2ccccc2)c1 Show InChI InChI=1S/C26H26ClN3O4/c27-23-15-18(9-10-22(23)19-5-2-1-3-6-19)17-28-13-11-24(31)29-14-12-25(32)30-21-8-4-7-20(16-21)26(33)34/h1-10,15-16,28H,11-14,17H2,(H,29,31)(H,30,32)(H,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW, UK. Curated by ChEMBL					Assay Description Inhibition of CK2alpha (unknown origin) using RRRADDSDDDD as substrate after 40 mins by ADP-Glo assay				Bioorg Med Chem 25: 3471-3482 (2017) Article DOI: 10.1016/j.bmc.2017.04.037 BindingDB Entry DOI: 10.7270/Q29G5Q8D
					More data for this Ligand-Target Pair				3D Structure (crystal)
Casein kinase II subunit alpha (Homo sapiens (Human))	BDBM50252622 (CHEMBL4070389) Show SMILES OC(=O)c1cccc(NC(=O)CCNC(=O)CCNCc2ccc(c(Cl)c2)-c2ccccc2)c1 Show InChI InChI=1S/C26H26ClN3O4/c27-23-15-18(9-10-22(23)19-5-2-1-3-6-19)17-28-13-11-24(31)29-14-12-25(32)30-21-8-4-7-20(16-21)26(33)34/h1-10,15-16,28H,11-14,17H2,(H,29,31)(H,30,32)(H,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals , 436 Cambridge Science Park, Milton Road , Cambridge CB4 0QA , United Kingdom. Curated by ChEMBL					Assay Description Binding affinity to human CK2alpha expressed in Escherichia coli BL21(DE3)				J Med Chem 61: 1774-1784 (2018) Article DOI: 10.1021/acs.jmedchem.7b01298 BindingDB Entry DOI: 10.7270/Q26D5WGJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Casein kinase II alpha/beta (Homo sapiens (Human)-Rattus norvegicus)	BDBM50252622 (CHEMBL4070389) Show SMILES OC(=O)c1cccc(NC(=O)CCNC(=O)CCNCc2ccc(c(Cl)c2)-c2ccccc2)c1 Show InChI InChI=1S/C26H26ClN3O4/c27-23-15-18(9-10-22(23)19-5-2-1-3-6-19)17-28-13-11-24(31)29-14-12-25(32)30-21-8-4-7-20(16-21)26(33)34/h1-10,15-16,28H,11-14,17H2,(H,29,31)(H,30,32)(H,33,34)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	670	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW, UK. Curated by ChEMBL					Assay Description Inhibition of CK2alpha/beta (unknown origin) expressed in Escherichia coli BL21(DE3) using RRRADDSDDDD as substrate after 40 mins by ADP-Glo assay				Bioorg Med Chem 25: 3471-3482 (2017) Article DOI: 10.1016/j.bmc.2017.04.037 BindingDB Entry DOI: 10.7270/Q29G5Q8D
					More data for this Ligand-Target Pair				3D Structure (crystal)
Casein kinase II subunit alpha (Homo sapiens (Human))	BDBM50252622 (CHEMBL4070389) Show SMILES OC(=O)c1cccc(NC(=O)CCNC(=O)CCNCc2ccc(c(Cl)c2)-c2ccccc2)c1 Show InChI InChI=1S/C26H26ClN3O4/c27-23-15-18(9-10-22(23)19-5-2-1-3-6-19)17-28-13-11-24(31)29-14-12-25(32)30-21-8-4-7-20(16-21)26(33)34/h1-10,15-16,28H,11-14,17H2,(H,29,31)(H,30,32)(H,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a
Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW, UK. Curated by ChEMBL					Assay Description Binding affinity to CK2alpha (unknown origin) by ITC				Bioorg Med Chem 25: 3471-3482 (2017) Article DOI: 10.1016/j.bmc.2017.04.037 BindingDB Entry DOI: 10.7270/Q29G5Q8D
					More data for this Ligand-Target Pair				3D Structure (crystal)
Casein kinase II alpha/beta (Homo sapiens (Human)-Rattus norvegicus)	BDBM50252622 (CHEMBL4070389) Show SMILES OC(=O)c1cccc(NC(=O)CCNC(=O)CCNCc2ccc(c(Cl)c2)-c2ccccc2)c1 Show InChI InChI=1S/C26H26ClN3O4/c27-23-15-18(9-10-22(23)19-5-2-1-3-6-19)17-28-13-11-24(31)29-14-12-25(32)30-21-8-4-7-20(16-21)26(33)34/h1-10,15-16,28H,11-14,17H2,(H,29,31)(H,30,32)(H,33,34)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a
Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW, UK. Curated by ChEMBL					Assay Description Binding affinity to CK2alpha/beta (unknown origin) expressed in Escherichia coli BL21(DE3) by ITC				Bioorg Med Chem 25: 3471-3482 (2017) Article DOI: 10.1016/j.bmc.2017.04.037 BindingDB Entry DOI: 10.7270/Q29G5Q8D
					More data for this Ligand-Target Pair				3D Structure (crystal)