Identical Ligands in BindingDB

Found 4 hits Enzyme Inhibition Constant Data   

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 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform   (959/959 = 100%)† (Homo sapiens (Human))	BDBM50387545 (CHEMBL2059907) Show SMILES CC(=O)Nc1nc2ccc(cn2n1)-c1cncc(c1)S(C)(=O)=O Show InChI InChI=1S/C14H13N5O3S/c1-9(20)16-14-17-13-4-3-10(8-19(13)18-14)11-5-12(7-15-6-11)23(2,21)22/h3-8H,1-2H3,(H,16,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	79.4	n/a	n/a	n/a	n/a	n/a	n/a
Cellzome Ltd Curated by ChEMBL					Assay Description Inhibition of PI3Kgamma in human HL60 cell lysate by kinobead assay				Bioorg Med Chem Lett 22: 4546-9 (2012) Article DOI: 10.1016/j.bmcl.2012.05.121 BindingDB Entry DOI: 10.7270/Q2J38TMN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform   (959/959 = 100%)† (Homo sapiens (Human))	BDBM50387545 (CHEMBL2059907) Show SMILES CC(=O)Nc1nc2ccc(cn2n1)-c1cncc(c1)S(C)(=O)=O Show InChI InChI=1S/C14H13N5O3S/c1-9(20)16-14-17-13-4-3-10(8-19(13)18-14)11-5-12(7-15-6-11)23(2,21)22/h3-8H,1-2H3,(H,16,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	79.4	n/a	n/a	n/a	n/a	n/a	n/a
Cellzome Ltd Curated by ChEMBL					Assay Description Inhibition of PI3Kgamma by high throughput chemoproteomics binding assay				Bioorg Med Chem Lett 22: 5257-63 (2012) Article DOI: 10.1016/j.bmcl.2012.06.049 BindingDB Entry DOI: 10.7270/Q2CR5VFP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform   (959/959 = 100%)† (Homo sapiens (Human))	BDBM50387545 (CHEMBL2059907) Show SMILES CC(=O)Nc1nc2ccc(cn2n1)-c1cncc(c1)S(C)(=O)=O Show InChI InChI=1S/C14H13N5O3S/c1-9(20)16-14-17-13-4-3-10(8-19(13)18-14)11-5-12(7-15-6-11)23(2,21)22/h3-8H,1-2H3,(H,16,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Cellzome Ltd Curated by ChEMBL					Assay Description Inhibition of PI3Kgamma assessed as inhibition of fMLP-induced neutrophil migration assay by cell based assay				Bioorg Med Chem Lett 22: 5257-63 (2012) Article DOI: 10.1016/j.bmcl.2012.06.049 BindingDB Entry DOI: 10.7270/Q2CR5VFP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform   (959/959 = 100%)† (Homo sapiens (Human))	BDBM50387545 (CHEMBL2059907) Show SMILES CC(=O)Nc1nc2ccc(cn2n1)-c1cncc(c1)S(C)(=O)=O Show InChI InChI=1S/C14H13N5O3S/c1-9(20)16-14-17-13-4-3-10(8-19(13)18-14)11-5-12(7-15-6-11)23(2,21)22/h3-8H,1-2H3,(H,16,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	>6.31E+4	n/a	n/a	n/a	n/a	n/a	n/a
Cellzome Ltd Curated by ChEMBL					Assay Description Inhibition of PI3Kgamma assessed as inhibition of C5a-induced AKT phosphorylation at Ser473 by cell based assay				Bioorg Med Chem Lett 22: 5257-63 (2012) Article DOI: 10.1016/j.bmcl.2012.06.049 BindingDB Entry DOI: 10.7270/Q2CR5VFP
					More data for this Ligand-Target Pair				3D Structure (crystal)

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