BDBM50010963 CHEMBL4076226

SMILES: CCN1c2cc(ccc2\C(=C/C=C/C=C/C2=[N+](CC)c3ccc(cc3C2(C)C)S([O-])(=O)=O)C1(C)CCCC(=O)NCCCC[C@H](NC(=O)CCCCCCCCOc1nc2cc(ccc2c2cnccc12)C(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O)S(O)(=O)=O

InChI Key: InChIKey=RBDZECKGFOVRHO-UHFFFAOYSA-N

Data: 3 Kd

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 3 hits for monomerid = 50010963   

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
Serum albumin (Bos taurus)	BDBM50010963 (CHEMBL4076226) Show SMILES CCN1c2cc(ccc2\C(=C/C=C/C=C/C2=[N+](CC)c3ccc(cc3C2(C)C)S([O-])(=O)=O)C1(C)CCCC(=O)NCCCC[C@H](NC(=O)CCCCCCCCOc1nc2cc(ccc2c2cnccc12)C(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O)S(O)(=O)=O |r,c:16| Show InChI InChI=1S/C25H34N4O4S/c26-12-4-15-29(22(31)11-18-33-17-10-19-5-2-1-3-6-19)16-14-27-13-9-20-7-8-21(30)23-24(20)34-25(32)28-23/h1-3,5-8,27,30H,4,9-18,26H2,(H,28,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a
University of Tartu Curated by ChEMBL					Assay Description Binding affinity to bovine serum albumin by fluorescence anisotropy based method				Bioorg Med Chem 25: 2277-2284 (2017) Article DOI: 10.1016/j.bmc.2017.02.055 BindingDB Entry DOI: 10.7270/Q21G0PRW
					More data for this Ligand-Target Pair
Casein kinase II subunit alpha (Homo sapiens (Human))	BDBM50010963 (CHEMBL4076226) Show SMILES CCN1c2cc(ccc2\C(=C/C=C/C=C/C2=[N+](CC)c3ccc(cc3C2(C)C)S([O-])(=O)=O)C1(C)CCCC(=O)NCCCC[C@H](NC(=O)CCCCCCCCOc1nc2cc(ccc2c2cnccc12)C(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O)S(O)(=O)=O |r,c:16| Show InChI InChI=1S/C25H34N4O4S/c26-12-4-15-29(22(31)11-18-33-17-10-19-5-2-1-3-6-19)16-14-27-13-9-20-7-8-21(30)23-24(20)34-25(32)28-23/h1-3,5-8,27,30H,4,9-18,26H2,(H,28,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	0.550	n/a	n/a	n/a	n/a	n/a
University of Tartu Curated by ChEMBL					Assay Description Inhibition of ARC-1504 binding to CK2alpha (unknown origin) (1 to 335 residues) measured after 15 mins by fluorescence anisotropic method				Bioorg Med Chem 25: 2277-2284 (2017) Article DOI: 10.1016/j.bmc.2017.02.055 BindingDB Entry DOI: 10.7270/Q21G0PRW
					More data for this Ligand-Target Pair
Casein kinase II subunit alpha (Homo sapiens (Human))	BDBM50010963 (CHEMBL4076226) Show SMILES CCN1c2cc(ccc2\C(=C/C=C/C=C/C2=[N+](CC)c3ccc(cc3C2(C)C)S([O-])(=O)=O)C1(C)CCCC(=O)NCCCC[C@H](NC(=O)CCCCCCCCOc1nc2cc(ccc2c2cnccc12)C(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O)S(O)(=O)=O |r,c:16| Show InChI InChI=1S/C25H34N4O4S/c26-12-4-15-29(22(31)11-18-33-17-10-19-5-2-1-3-6-19)16-14-27-13-9-20-7-8-21(30)23-24(20)34-25(32)28-23/h1-3,5-8,27,30H,4,9-18,26H2,(H,28,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	0.550	n/a	n/a	n/a	n/a	n/a
University of Tartu Curated by ChEMBL					Assay Description Inhibition of ARC-1504 binding to CK2alpha (unknown origin) (1 to 335 residues) measured after 15 mins by fluorescence anisotropic method				Bioorg Med Chem 25: 2277-2284 (2017) Article DOI: 10.1016/j.bmc.2017.02.055 BindingDB Entry DOI: 10.7270/Q21G0PRW
					More data for this Ligand-Target Pair