BDBM50457171 CHEMBL4214320

SMILES: Clc1ncc(cc1NS(=O)(=O)c1ccccc1)-c1cnc2[nH]ccc2c1

InChI Key: InChIKey=CXQCIWGEISYBCY-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 = 50457171   

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 beta isoform (Homo sapiens (Human))	BDBM50457171 (CHEMBL4214320) Show SMILES Clc1ncc(cc1NS(=O)(=O)c1ccccc1)-c1cnc2[nH]ccc2c1 Show InChI InChI=1S/C18H13ClN4O2S/c19-17-16(23-26(24,25)15-4-2-1-3-5-15)9-14(10-21-17)13-8-12-6-7-20-18(12)22-11-13/h1-11,23H,(H,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant human PI3K p110beta using PIP2/PS as substrate after 1 hr by ADP-Glo luminescence assay				ACS Med Chem Lett 8: 875-880 (2017) Article DOI: 10.1021/acsmedchemlett.7b00222 BindingDB Entry DOI: 10.7270/Q2CR5WZT
					More data for this Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta (Homo sapiens (Human))	BDBM50457171 (CHEMBL4214320) Show SMILES Clc1ncc(cc1NS(=O)(=O)c1ccccc1)-c1cnc2[nH]ccc2c1 Show InChI InChI=1S/C18H13ClN4O2S/c19-17-16(23-26(24,25)15-4-2-1-3-5-15)9-14(10-21-17)13-8-12-6-7-20-18(12)22-11-13/h1-11,23H,(H,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant human full length His-tagged PI3K p110delta/p85alpha expressed in baculovirus expression system using PIP2/PS as substrate ...				ACS Med Chem Lett 8: 875-880 (2017) Article DOI: 10.1021/acsmedchemlett.7b00222 BindingDB Entry DOI: 10.7270/Q2CR5WZT
					More data for this Ligand-Target Pair
p110α/p85α (Homo sapiens (Human))	BDBM50457171 (CHEMBL4214320) Show SMILES Clc1ncc(cc1NS(=O)(=O)c1ccccc1)-c1cnc2[nH]ccc2c1 Show InChI InChI=1S/C18H13ClN4O2S/c19-17-16(23-26(24,25)15-4-2-1-3-5-15)9-14(10-21-17)13-8-12-6-7-20-18(12)22-11-13/h1-11,23H,(H,20,22)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant full length N-terminal His-tagged human PI3K p110alpha/p85alpha expressed in baculovirus expression system using PIP2/PS as...				ACS Med Chem Lett 8: 875-880 (2017) Article DOI: 10.1021/acsmedchemlett.7b00222 BindingDB Entry DOI: 10.7270/Q2CR5WZT
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50457171 (CHEMBL4214320) Show SMILES Clc1ncc(cc1NS(=O)(=O)c1ccccc1)-c1cnc2[nH]ccc2c1 Show InChI InChI=1S/C18H13ClN4O2S/c19-17-16(23-26(24,25)15-4-2-1-3-5-15)9-14(10-21-17)13-8-12-6-7-20-18(12)22-11-13/h1-11,23H,(H,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	97	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant full length His-tagged human PI3K p110gamma expressed in baculovirus expression system using PIP2/PS as substrate after 1 h...				ACS Med Chem Lett 8: 875-880 (2017) Article DOI: 10.1021/acsmedchemlett.7b00222 BindingDB Entry DOI: 10.7270/Q2CR5WZT
					More data for this Ligand-Target Pair