BDBM50064771 CHEMBL3401253

SMILES: Brc1ccc2OCCn3c(nc4cc(Br)ccc34)-c2c1

InChI Key: InChIKey=JROBXYMZRKYBQT-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 = 50064771   

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 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50064771 (CHEMBL3401253) Show SMILES Brc1ccc2OCCn3c(nc4cc(Br)ccc34)-c2c1 Show InChI InChI=1S/C15H10Br2N2O/c16-9-2-4-14-11(7-9)15-18-12-8-10(17)1-3-13(12)19(15)5-6-20-14/h1-4,7-8H,5-6H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.95E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of recombinant PI3Kgamma (unknown origin) using PI(3,4)P2 as substrate after 3 hrs incubation by competitive fluorescence polarization kin...				Bioorg Med Chem 23: 1231-40 (2015) Article DOI: 10.1016/j.bmc.2015.01.052 BindingDB Entry DOI: 10.7270/Q2BC417K
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50064771 (CHEMBL3401253) Show SMILES Brc1ccc2OCCn3c(nc4cc(Br)ccc34)-c2c1 Show InChI InChI=1S/C15H10Br2N2O/c16-9-2-4-14-11(7-9)15-18-12-8-10(17)1-3-13(12)19(15)5-6-20-14/h1-4,7-8H,5-6H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.98E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of recombinant PI3Kdelta (unknown origin) using PI(3,4)P2 as substrate after 3 hrs incubation by competitive fluorescence polarization kin...				Bioorg Med Chem 23: 1231-40 (2015) Article DOI: 10.1016/j.bmc.2015.01.052 BindingDB Entry DOI: 10.7270/Q2BC417K
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50064771 (CHEMBL3401253) Show SMILES Brc1ccc2OCCn3c(nc4cc(Br)ccc34)-c2c1 Show InChI InChI=1S/C15H10Br2N2O/c16-9-2-4-14-11(7-9)15-18-12-8-10(17)1-3-13(12)19(15)5-6-20-14/h1-4,7-8H,5-6H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	92	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of recombinant PI3Kalpha (unknown origin) using PI(3,4)P2 as substrate after 3 hrs incubation by competitive fluorescence polarization kin...				Bioorg Med Chem 23: 1231-40 (2015) Article DOI: 10.1016/j.bmc.2015.01.052 BindingDB Entry DOI: 10.7270/Q2BC417K
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50064771 (CHEMBL3401253) Show SMILES Brc1ccc2OCCn3c(nc4cc(Br)ccc34)-c2c1 Show InChI InChI=1S/C15H10Br2N2O/c16-9-2-4-14-11(7-9)15-18-12-8-10(17)1-3-13(12)19(15)5-6-20-14/h1-4,7-8H,5-6H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	284	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of recombinant PI3Kbeta (unknown origin) using PI(3,4)P2 as substrate after 3 hrs incubation by competitive fluorescence polarization kina...				Bioorg Med Chem 23: 1231-40 (2015) Article DOI: 10.1016/j.bmc.2015.01.052 BindingDB Entry DOI: 10.7270/Q2BC417K
					More data for this Ligand-Target Pair