Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 369.4 BDBM527937

Wt: 369.4 BDBM527959

Wt: 369.4 BDBM527960

Wt: 369.4 BDBM527961

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 4 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Phosphatidylinositol 3-kinase catalytic subunit type 3 (Homo sapiens (Human))	BDBM527937 (6-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-4-(3-methyl...) Show SMILES COc1cccc(c1)C1CCCN1c1cc(cc(=O)[nH]1)N1CCOCC1C Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Dilution series of compounds of the invention were prepared in DMSO at 100 times the final assay concentration (n1=n0/3 in 10 points). The compounds ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2891926
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3 (Homo sapiens (Human))	BDBM527961 (US11179399, Example 17_2) Show SMILES COc1cccc(c1)[C@H]1CCCN1c1cc(cc(=O)[nH]1)N1CCOC[C@H]1C |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Dilution series of compounds of the invention were prepared in DMSO at 100 times the final assay concentration (n1=n0/3 in 10 points). The compounds ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2891926
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3 (Homo sapiens (Human))	BDBM527959 ((R) and (S) 6-[2-(3-methoxyphenyl)pyrrolidin-1-yl]...) Show SMILES COc1cccc(c1)C1CCCN1c1cc(cc(=O)[nH]1)N1CCOC[C@H]1C |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Dilution series of compounds of the invention were prepared in DMSO at 100 times the final assay concentration (n1=n0/3 in 10 points). The compounds ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2891926
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3 (Homo sapiens (Human))	BDBM527960 (US11179399, Example 17_1) Show SMILES COc1cccc(c1)[C@@H]1CCCN1c1cc(cc(=O)[nH]1)N1CCOC[C@H]1C |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Dilution series of compounds of the invention were prepared in DMSO at 100 times the final assay concentration (n1=n0/3 in 10 points). The compounds ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2891926
					More data for this Ligand-Target Pair