null

SMILES: COc1ccc(cc1)-c1cccc(c1)S(=O)(=O)N1CCN(CC1)c1nccnc1-c1ccc(OC)cc1

InChI Key: InChIKey=IQVDMFYVPSHFEP-UHFFFAOYSA-N

PDB links: 1 PDB ID matches this monomer.

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 = 50393331   

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))	BDBM50393331 (CHEMBL2152124) Show SMILES COc1ccc(cc1)-c1cccc(c1)S(=O)(=O)N1CCN(CC1)c1nccnc1-c1ccc(OC)cc1 Show InChI InChI=1S/C28H28N4O4S/c1-35-24-10-6-21(7-11-24)23-4-3-5-26(20-23)37(33,34)32-18-16-31(17-19-32)28-27(29-14-15-30-28)22-8-12-25(36-2)13-9-22/h3-15,20H,16-19H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	441	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of human PI3Kgamma expressed in sf9 cells assessed as amount of ATP consumed by luciferase-luciferin chemiluminescence assay				J Med Chem 55: 5467-82 (2012) Article DOI: 10.1021/jm300403a BindingDB Entry DOI: 10.7270/Q2DF6S9N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50393331 (CHEMBL2152124) Show SMILES COc1ccc(cc1)-c1cccc(c1)S(=O)(=O)N1CCN(CC1)c1nccnc1-c1ccc(OC)cc1 Show InChI InChI=1S/C28H28N4O4S/c1-35-24-10-6-21(7-11-24)23-4-3-5-26(20-23)37(33,34)32-18-16-31(17-19-32)28-27(29-14-15-30-28)22-8-12-25(36-2)13-9-22/h3-15,20H,16-19H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	960	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of human PI3Kalpha expressed in sf9 cells coexpressing p85alpha assessed as amount of ATP consumed by luciferase-luciferin chemiluminescen...				J Med Chem 55: 5467-82 (2012) Article DOI: 10.1021/jm300403a BindingDB Entry DOI: 10.7270/Q2DF6S9N
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50393331 (CHEMBL2152124) Show SMILES COc1ccc(cc1)-c1cccc(c1)S(=O)(=O)N1CCN(CC1)c1nccnc1-c1ccc(OC)cc1 Show InChI InChI=1S/C28H28N4O4S/c1-35-24-10-6-21(7-11-24)23-4-3-5-26(20-23)37(33,34)32-18-16-31(17-19-32)28-27(29-14-15-30-28)22-8-12-25(36-2)13-9-22/h3-15,20H,16-19H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3.61E+3	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of human PI3Kgamma expressed in C5a-stimulated mouse RAW 264.7 cells assessed as inhibition of AKT phosphorylation by ELISA				J Med Chem 55: 5467-82 (2012) Article DOI: 10.1021/jm300403a BindingDB Entry DOI: 10.7270/Q2DF6S9N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50393331 (CHEMBL2152124) Show SMILES COc1ccc(cc1)-c1cccc(c1)S(=O)(=O)N1CCN(CC1)c1nccnc1-c1ccc(OC)cc1 Show InChI InChI=1S/C28H28N4O4S/c1-35-24-10-6-21(7-11-24)23-4-3-5-26(20-23)37(33,34)32-18-16-31(17-19-32)28-27(29-14-15-30-28)22-8-12-25(36-2)13-9-22/h3-15,20H,16-19H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of human PI3Kdelta expressed in sf9 cells coexpressing p85alpha assessed as amount of ATP consumed by luciferase-luciferin chemiluminescen...				J Med Chem 55: 5467-82 (2012) Article DOI: 10.1021/jm300403a BindingDB Entry DOI: 10.7270/Q2DF6S9N
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50393331 (CHEMBL2152124) Show SMILES COc1ccc(cc1)-c1cccc(c1)S(=O)(=O)N1CCN(CC1)c1nccnc1-c1ccc(OC)cc1 Show InChI InChI=1S/C28H28N4O4S/c1-35-24-10-6-21(7-11-24)23-4-3-5-26(20-23)37(33,34)32-18-16-31(17-19-32)28-27(29-14-15-30-28)22-8-12-25(36-2)13-9-22/h3-15,20H,16-19H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of human PI3Kbeta expressed in sf9 cells coexpressing p85alpha assessed as amount of ATP consumed by luciferase-luciferin chemiluminescenc...				J Med Chem 55: 5467-82 (2012) Article DOI: 10.1021/jm300403a BindingDB Entry DOI: 10.7270/Q2DF6S9N
					More data for this Ligand-Target Pair