Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with all data for assayid = 6 entry = 50048074   

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 delta isoform (Mus musculus (Mouse))	BDBM50203701 (CHEMBL3944013) Show SMILES COc1ccc(cc1OC)-c1ccc2ncnc(-c3cccc(c3)C(=O)N3CCN(CC3)C(C)=O)c2c1 Show InChI InChI=1S/C29H28N4O4/c1-19(34)32-11-13-33(14-12-32)29(35)23-6-4-5-22(15-23)28-24-16-20(7-9-25(24)30-18-31-28)21-8-10-26(36-2)27(17-21)37-3/h4-10,15-18H,11-14H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PI3K-delta in mouse splenocytes assessed as inhibition anti-IgM induced CD86 expression				Bioorg Med Chem Lett 26: 5657-5662 (2016) Article DOI: 10.1016/j.bmcl.2016.10.069 BindingDB Entry DOI: 10.7270/Q20Z7574
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Mus musculus (Mouse))	BDBM50203682 (CHEMBL3947814) Show SMILES COc1ccc(cn1)-c1ccc2ncnc(-c3cccc(c3)C(=O)N3CCN(CC3)C(C)=O)c2c1 Show InChI InChI=1S/C27H25N5O3/c1-18(33)31-10-12-32(13-11-31)27(34)21-5-3-4-20(14-21)26-23-15-19(6-8-24(23)29-17-30-26)22-7-9-25(35-2)28-16-22/h3-9,14-17H,10-13H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PI3K-delta in mouse splenocytes assessed as inhibition anti-IgM induced CD86 expression				Bioorg Med Chem Lett 26: 5657-5662 (2016) Article DOI: 10.1016/j.bmcl.2016.10.069 BindingDB Entry DOI: 10.7270/Q20Z7574
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Mus musculus (Mouse))	BDBM50203699 (CHEMBL3977066) Show SMILES COc1ncc(cc1C#N)-c1ccc2ncnc(-c3cccc(c3)C(=O)N3CCN(CC3)C(C)=O)c2c1 Show InChI InChI=1S/C28H24N6O3/c1-18(35)33-8-10-34(11-9-33)28(36)21-5-3-4-20(12-21)26-24-14-19(6-7-25(24)31-17-32-26)23-13-22(15-29)27(37-2)30-16-23/h3-7,12-14,16-17H,8-11H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PI3K-delta in mouse splenocytes assessed as inhibition anti-IgM induced CD86 expression				Bioorg Med Chem Lett 26: 5657-5662 (2016) Article DOI: 10.1016/j.bmcl.2016.10.069 BindingDB Entry DOI: 10.7270/Q20Z7574
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Mus musculus (Mouse))	BDBM50203696 (CHEMBL3896413) Show SMILES CCC(=O)N1CC[C@@H](C1)Oc1ncnc2ccc(cc12)-c1ccc(OC)nc1 |r| Show InChI InChI=1S/C21H22N4O3/c1-3-20(26)25-9-8-16(12-25)28-21-17-10-14(4-6-18(17)23-13-24-21)15-5-7-19(27-2)22-11-15/h4-7,10-11,13,16H,3,8-9,12H2,1-2H3/t16-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PI3K-delta in mouse splenocytes assessed as inhibition anti-IgM induced CD86 expression				Bioorg Med Chem Lett 26: 5657-5662 (2016) Article DOI: 10.1016/j.bmcl.2016.10.069 BindingDB Entry DOI: 10.7270/Q20Z7574
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Mus musculus (Mouse))	BDBM50203685 (CHEMBL3966263) Show SMILES CCC(=O)N1CC[C@H](C1)Oc1cnc2ccc(cc2n1)-c1ccc(OC)c(OC)c1 |r| Show InChI InChI=1S/C23H25N3O4/c1-4-23(27)26-10-9-17(14-26)30-22-13-24-18-7-5-15(11-19(18)25-22)16-6-8-20(28-2)21(12-16)29-3/h5-8,11-13,17H,4,9-10,14H2,1-3H3/t17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	85	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PI3K-delta in mouse splenocytes assessed as inhibition anti-IgM induced CD86 expression				Bioorg Med Chem Lett 26: 5657-5662 (2016) Article DOI: 10.1016/j.bmcl.2016.10.069 BindingDB Entry DOI: 10.7270/Q20Z7574
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Mus musculus (Mouse))	BDBM50203678 (CHEMBL3905342) Show SMILES CCC(=O)N1CC[C@@H](C1)Oc1ccnc2ccc(cc12)-c1ccc(OC)nc1 |r| Show InChI InChI=1S/C22H23N3O3/c1-3-22(26)25-11-9-17(14-25)28-20-8-10-23-19-6-4-15(12-18(19)20)16-5-7-21(27-2)24-13-16/h4-8,10,12-13,17H,3,9,11,14H2,1-2H3/t17-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	155	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PI3K-delta in mouse splenocytes assessed as inhibition anti-IgM induced CD86 expression				Bioorg Med Chem Lett 26: 5657-5662 (2016) Article DOI: 10.1016/j.bmcl.2016.10.069 BindingDB Entry DOI: 10.7270/Q20Z7574
					More data for this Ligand-Target Pair