BDBM50457851 CHEMBL4205416

SMILES: COc1ccc(NC(=O)N2CCN(CC2)c2nc(N)nc3sc(nc23)-c2cccnc2)cc1

InChI Key: InChIKey=RTWZCNGWNJMPBW-UHFFFAOYSA-N

Data: 4 IC50

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 4 hits for monomerid = 50457851   

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))	BDBM50457851 (CHEMBL4205416) Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2nc(N)nc3sc(nc23)-c2cccnc2)cc1 Show InChI InChI=1S/C22H22N8O2S/c1-32-16-6-4-15(5-7-16)25-22(31)30-11-9-29(10-12-30)18-17-20(28-21(23)27-18)33-19(26-17)14-3-2-8-24-13-14/h2-8,13H,9-12H2,1H3,(H,25,31)(H2,23,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
UCB Pharma Curated by ChEMBL					Assay Description Inhibition of PI4K3beta in human PBMC assessed as reduction in mitomycin-C treated human RPMI1788 cells-stimulated lymphocyte proliferation by measur...				J Med Chem 61: 6705-6723 (2018) Article DOI: 10.1021/acs.jmedchem.8b00521 BindingDB Entry DOI: 10.7270/Q2FF3W01
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50457851 (CHEMBL4205416) Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2nc(N)nc3sc(nc23)-c2cccnc2)cc1 Show InChI InChI=1S/C22H22N8O2S/c1-32-16-6-4-15(5-7-16)25-22(31)30-11-9-29(10-12-30)18-17-20(28-21(23)27-18)33-19(26-17)14-3-2-8-24-13-14/h2-8,13H,9-12H2,1H3,(H,25,31)(H2,23,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
UCB Pharma Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes assessed as decrease in midazolam 1-hydroxylation by LC-MS/MS analysis				J Med Chem 61: 6705-6723 (2018) Article DOI: 10.1021/acs.jmedchem.8b00521 BindingDB Entry DOI: 10.7270/Q2FF3W01
					More data for this Ligand-Target Pair
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50457851 (CHEMBL4205416) Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2nc(N)nc3sc(nc23)-c2cccnc2)cc1 Show InChI InChI=1S/C22H22N8O2S/c1-32-16-6-4-15(5-7-16)25-22(31)30-11-9-29(10-12-30)18-17-20(28-21(23)27-18)33-19(26-17)14-3-2-8-24-13-14/h2-8,13H,9-12H2,1H3,(H,25,31)(H2,23,27,28)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
UCB Pharma Curated by ChEMBL					Assay Description Inhibition of human ERG by cell based automated patch clamp method				J Med Chem 61: 6705-6723 (2018) Article DOI: 10.1021/acs.jmedchem.8b00521 BindingDB Entry DOI: 10.7270/Q2FF3W01
					More data for this Ligand-Target Pair
Phosphatidylinositol 4-kinase beta (Homo sapiens (Human))	BDBM50457851 (CHEMBL4205416) Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2nc(N)nc3sc(nc23)-c2cccnc2)cc1 Show InChI InChI=1S/C22H22N8O2S/c1-32-16-6-4-15(5-7-16)25-22(31)30-11-9-29(10-12-30)18-17-20(28-21(23)27-18)33-19(26-17)14-3-2-8-24-13-14/h2-8,13H,9-12H2,1H3,(H,25,31)(H2,23,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
UCB Pharma Curated by ChEMBL					Assay Description Inhibition of recombinant human full length GST-tagged PI4K3beta expressed in baculovirus expression system using PI lipid kinase substrate after 60 ...				J Med Chem 61: 6705-6723 (2018) Article DOI: 10.1021/acs.jmedchem.8b00521 BindingDB Entry DOI: 10.7270/Q2FF3W01
					More data for this Ligand-Target Pair