BDBM50457866 CHEMBL4207928

SMILES: COc1ccc(NC(=O)N2CCN([C@@H](C)C2)c2nc(N)nc3scnc23)c(C)n1

InChI Key: InChIKey=ANQACEDPVGMTLU-JTQLQIEISA-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 = 50457866   

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))	BDBM50457866 (CHEMBL4207928) Show SMILES COc1ccc(NC(=O)N2CCN([C@@H](C)C2)c2nc(N)nc3scnc23)c(C)n1 |r| Show InChI InChI=1S/C18H22N8O2S/c1-10-8-25(18(27)22-12-4-5-13(28-3)21-11(12)2)6-7-26(10)15-14-16(29-9-20-14)24-17(19)23-15/h4-5,9-10H,6-8H2,1-3H3,(H,22,27)(H2,19,23,24)/t10-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	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
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50457866 (CHEMBL4207928) Show SMILES COc1ccc(NC(=O)N2CCN([C@@H](C)C2)c2nc(N)nc3scnc23)c(C)n1 |r| Show InChI InChI=1S/C18H22N8O2S/c1-10-8-25(18(27)22-12-4-5-13(28-3)21-11(12)2)6-7-26(10)15-14-16(29-9-20-14)24-17(19)23-15/h4-5,9-10H,6-8H2,1-3H3,(H,22,27)(H2,19,23,24)/t10-/m0/s1	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	>2.00E+4	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
Phosphatidylinositol 4-kinase beta (Homo sapiens (Human))	BDBM50457866 (CHEMBL4207928) Show SMILES COc1ccc(NC(=O)N2CCN([C@@H](C)C2)c2nc(N)nc3scnc23)c(C)n1 |r| Show InChI InChI=1S/C18H22N8O2S/c1-10-8-25(18(27)22-12-4-5-13(28-3)21-11(12)2)6-7-26(10)15-14-16(29-9-20-14)24-17(19)23-15/h4-5,9-10H,6-8H2,1-3H3,(H,22,27)(H2,19,23,24)/t10-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	60	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
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50457866 (CHEMBL4207928) Show SMILES COc1ccc(NC(=O)N2CCN([C@@H](C)C2)c2nc(N)nc3scnc23)c(C)n1 |r| Show InChI InChI=1S/C18H22N8O2S/c1-10-8-25(18(27)22-12-4-5-13(28-3)21-11(12)2)6-7-26(10)15-14-16(29-9-20-14)24-17(19)23-15/h4-5,9-10H,6-8H2,1-3H3,(H,22,27)(H2,19,23,24)/t10-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	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