BDBM50199998 CHEMBL3902513

SMILES: COc1ccc(cc1S(=O)(=O)N1CCC(CO)CC1)-c1c(C)nc2c(NCCNC(C)=O)cc(Cl)nn12

InChI Key: InChIKey=IEPPNMCWFCTFFK-UHFFFAOYSA-N

Data: 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 2 hits for monomerid = 50199998   

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
Phosphatidylinositol 4-kinase beta (Homo sapiens (Human))	BDBM50199998 (CHEMBL3902513) Show SMILES COc1ccc(cc1S(=O)(=O)N1CCC(CO)CC1)-c1c(C)nc2c(NCCNC(C)=O)cc(Cl)nn12 Show InChI InChI=1S/C24H31ClN6O5S/c1-15-23(31-24(28-15)19(13-22(25)29-31)27-9-8-26-16(2)33)18-4-5-20(36-3)21(12-18)37(34,35)30-10-6-17(14-32)7-11-30/h4-5,12-13,17,27,32H,6-11,14H2,1-3H3,(H,26,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Academy of Sciences of the Czech Republic Curated by ChEMBL					Assay Description Inhibition of PI4KB (unknown origin) by ADP-Glo kinase assay				J Med Chem 60: 100-118 (2017) Article DOI: 10.1021/acs.jmedchem.6b01465 BindingDB Entry DOI: 10.7270/Q28054K8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 4-kinase alpha (PI4KA) (Homo sapiens (Human))	BDBM50199998 (CHEMBL3902513) Show SMILES COc1ccc(cc1S(=O)(=O)N1CCC(CO)CC1)-c1c(C)nc2c(NCCNC(C)=O)cc(Cl)nn12 Show InChI InChI=1S/C24H31ClN6O5S/c1-15-23(31-24(28-15)19(13-22(25)29-31)27-9-8-26-16(2)33)18-4-5-20(36-3)21(12-18)37(34,35)30-10-6-17(14-32)7-11-30/h4-5,12-13,17,27,32H,6-11,14H2,1-3H3,(H,26,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	8.19E+3	n/a	n/a	n/a	n/a	n/a	n/a
Academy of Sciences of the Czech Republic Curated by ChEMBL					Assay Description Inhibition of PI4KA (unknown origin) by ADP-Glo kinase assay				J Med Chem 60: 100-118 (2017) Article DOI: 10.1021/acs.jmedchem.6b01465 BindingDB Entry DOI: 10.7270/Q28054K8
					More data for this Ligand-Target Pair