BDBM50197064 CHEMBL3922359

SMILES: Fc1ccc(CN2C(=O)COc3ccc(\C=C4/SC(=S)NC4=O)cc23)cc1Cl

InChI Key: InChIKey=KWDKVVZOYYHCRG-APSNUPSMSA-N

Data: 5 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 5 hits for monomerid = 50197064   

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-phosphate 3-kinase C2 domain-containing subunit alpha (Homo sapiens (Human))	BDBM50197064 (CHEMBL3922359) Show SMILES Fc1ccc(CN2C(=O)COc3ccc(\C=C4/SC(=S)NC4=O)cc23)cc1Cl Show InChI InChI=1S/C19H12ClFN2O3S2/c20-12-5-11(1-3-13(12)21)8-23-14-6-10(2-4-15(14)26-9-17(23)24)7-16-18(25)22-19(27)28-16/h1-7H,8-9H2,(H,22,25,27)/b16-7-	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Curtin University Curated by ChEMBL					Assay Description Inhibition of PI3KC2alpha (unknown origin) expressed in HEK293 cells using phosphatidylinositol and gamma-32P-ATP incubated for 20 mins by TLC assay ...				J Med Chem 60: 47-65 (2017) Article DOI: 10.1021/acs.jmedchem.6b00963 BindingDB Entry DOI: 10.7270/Q2PG1TPX
					More data for this Ligand-Target Pair
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta (Homo sapiens (Human))	BDBM50197064 (CHEMBL3922359) Show SMILES Fc1ccc(CN2C(=O)COc3ccc(\C=C4/SC(=S)NC4=O)cc23)cc1Cl Show InChI InChI=1S/C19H12ClFN2O3S2/c20-12-5-11(1-3-13(12)21)8-23-14-6-10(2-4-15(14)26-9-17(23)24)7-16-18(25)22-19(27)28-16/h1-7H,8-9H2,(H,22,25,27)/b16-7-	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
Curtin University Curated by ChEMBL					Assay Description Inhibition of PI3KC2beta (unknown origin) expressed in HEK293 cells using phosphatidylinositol and gamma-32P-ATP incubated for 20 mins by TLC assay o...				J Med Chem 60: 47-65 (2017) Article DOI: 10.1021/acs.jmedchem.6b00963 BindingDB Entry DOI: 10.7270/Q2PG1TPX
					More data for this Ligand-Target Pair
p110α/p85α (Homo sapiens (Human))	BDBM50197064 (CHEMBL3922359) Show SMILES Fc1ccc(CN2C(=O)COc3ccc(\C=C4/SC(=S)NC4=O)cc23)cc1Cl Show InChI InChI=1S/C19H12ClFN2O3S2/c20-12-5-11(1-3-13(12)21)8-23-14-6-10(2-4-15(14)26-9-17(23)24)7-16-18(25)22-19(27)28-16/h1-7H,8-9H2,(H,22,25,27)/b16-7-	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Curtin University Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha/p85alpha (unknown origin) using phosphatidylinositol and gamma-32P-ATP incubated for 20 mins by TLC assay or high-throughput ...				J Med Chem 60: 47-65 (2017) Article DOI: 10.1021/acs.jmedchem.6b00963 BindingDB Entry DOI: 10.7270/Q2PG1TPX
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50197064 (CHEMBL3922359) Show SMILES Fc1ccc(CN2C(=O)COc3ccc(\C=C4/SC(=S)NC4=O)cc23)cc1Cl Show InChI InChI=1S/C19H12ClFN2O3S2/c20-12-5-11(1-3-13(12)21)8-23-14-6-10(2-4-15(14)26-9-17(23)24)7-16-18(25)22-19(27)28-16/h1-7H,8-9H2,(H,22,25,27)/b16-7-	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Curtin University Curated by ChEMBL					Assay Description Inhibition of DNA-PK (unknown origin)				J Med Chem 60: 47-65 (2017) Article DOI: 10.1021/acs.jmedchem.6b00963 BindingDB Entry DOI: 10.7270/Q2PG1TPX
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3 (Homo sapiens (Human))	BDBM50197064 (CHEMBL3922359) Show SMILES Fc1ccc(CN2C(=O)COc3ccc(\C=C4/SC(=S)NC4=O)cc23)cc1Cl Show InChI InChI=1S/C19H12ClFN2O3S2/c20-12-5-11(1-3-13(12)21)8-23-14-6-10(2-4-15(14)26-9-17(23)24)7-16-18(25)22-19(27)28-16/h1-7H,8-9H2,(H,22,25,27)/b16-7-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Curtin University Curated by ChEMBL					Assay Description Inhibition of full length human recombinant VPS34 (unknown origin) using phosphatidylinositol and gamma-32P-ATP incubated for 20 mins by TLC assay or...				J Med Chem 60: 47-65 (2017) Article DOI: 10.1021/acs.jmedchem.6b00963 BindingDB Entry DOI: 10.7270/Q2PG1TPX
					More data for this Ligand-Target Pair