Compile Data Set for Download or QSAR

Found 570 hits with Last Name = 'lee' and Initial = 'hh'   

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 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50575884 (CHEMBL4849371) Show SMILES CCC(=O)N1CC[C@@H](C1)Nc1ncnc2n(CC)c(nc12)-c1cnn(CC)c1C |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of N-terminal His6-tagged recombinant full length human p110delta/untagged recombinant full length human p85alpha expressed in baculovirus...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00237 BindingDB Entry DOI: 10.7270/Q28919NT
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50575901 (CHEMBL4878995) Show SMILES CCn1c(nc2c(N[C@H]3CCN(C3)C(=O)C3CCC3)ncnc12)-c1cnc(C)nc1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of N-terminal His6-tagged recombinant full length human p110delta/untagged recombinant full length human p85alpha expressed in baculovirus...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00237 BindingDB Entry DOI: 10.7270/Q28919NT
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50575907 (CHEMBL4878004) Show SMILES CCn1c(nc2c(N[C@H]3CCN(C3)C(=O)N3CC(C3)OC)ncnc12)-c1cnc(C)nc1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of N-terminal His6-tagged recombinant full length human p110delta/untagged recombinant full length human p85alpha expressed in baculovirus...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00237 BindingDB Entry DOI: 10.7270/Q28919NT
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50575891 (CHEMBL4852541) Show SMILES CCC(=O)N1CC[C@@H](C1)Nc1ncnc2n(C)c(nc12)-c1cnc(s1)C(C)(C)C |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of N-terminal His6-tagged recombinant full length human p110delta/untagged recombinant full length human p85alpha expressed in baculovirus...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00237 BindingDB Entry DOI: 10.7270/Q28919NT
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50575903 (CHEMBL4858121) Show SMILES CCn1c(nc2c(N[C@H]3CCN(C3)C(=O)[C@@H]3C[C@@H](C3)OC)ncnc12)-c1cnc(C)nc1 |r,wU:15.15,17.20,wD:8.7,(5.22,-48.01,;6.72,-47.68,;7.19,-46.21,;6.28,-44.98,;7.17,-43.73,;8.63,-44.19,;9.97,-43.42,;9.96,-41.88,;11.29,-41.1,;12.7,-41.71,;13.72,-40.56,;12.94,-39.23,;11.44,-39.56,;13.56,-37.82,;12.65,-36.58,;15.09,-37.66,;16.29,-38.62,;17.25,-37.42,;16.05,-36.46,;18.78,-37.25,;19.7,-38.49,;11.3,-44.17,;11.32,-45.71,;9.98,-46.49,;8.64,-45.73,;4.74,-44.99,;3.96,-43.66,;2.5,-43.58,;1.66,-45.01,;.12,-45.02,;2.45,-46.34,;3.99,-46.32,)| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of N-terminal His6-tagged recombinant full length human p110delta/untagged recombinant full length human p85alpha expressed in baculovirus...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00237 BindingDB Entry DOI: 10.7270/Q28919NT
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50569443 (CHEMBL4851179) Show SMILES Clc1ccc(cc1)S(=O)(=O)N(Nc1cccc(Cl)c1)C(=O)Oc1ccc(OCc2ccccc2)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128920 BindingDB Entry DOI: 10.7270/Q23B6438
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50575902 (CHEMBL4873843) Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CCC3)ncnc12)-c1cnc(C)nc1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of N-terminal His6-tagged recombinant full length human p110delta/untagged recombinant full length human p85alpha expressed in baculovirus...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00237 BindingDB Entry DOI: 10.7270/Q28919NT
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM334177 ((S)-(3-((9-ethyl-8-(6- (trifluoromethyl)pyridin-3-...) Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)N3CC(C3)OC)ncnc12)-c1ccc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C22H24F3N7O3/c1-3-32-18(13-4-5-16(26-8-13)22(23,24)25)29-17-19(32)27-12-28-20(17)35-14-6-7-30(9-14)21(33)31-10-15(11-31)34-2/h4-5,8,12,14-15H,3,6-7,9-11H2,1-2H3/t14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of N-terminal His6-tagged recombinant full length human p110delta/untagged recombinant full length human p85alpha expressed in baculovirus...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00237 BindingDB Entry DOI: 10.7270/Q28919NT
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50575886 (CHEMBL4853400) Show SMILES CCC(=O)N1CC[C@@H](C1)Nc1ncnc2n(CC(F)F)c(nc12)-c1cnn(CC)c1C |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of N-terminal His6-tagged recombinant full length human p110delta/untagged recombinant full length human p85alpha expressed in baculovirus...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00237 BindingDB Entry DOI: 10.7270/Q28919NT
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50575900 (CHEMBL4853960) Show SMILES CCn1c(nc2c(N[C@H]3CCN(C3)C(=O)C3CC3)ncnc12)-c1cnc(C)nc1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of N-terminal His6-tagged recombinant full length human p110delta/untagged recombinant full length human p85alpha expressed in baculovirus...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00237 BindingDB Entry DOI: 10.7270/Q28919NT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50575912 (CHEMBL4859422) Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)[C@@H]3C[C@@H](C3)OC)ncnc12)-c1ccc(nc1)C(F)(F)F |r,wU:15.15,17.20,wD:8.7,(6.25,-49.15,;7.76,-48.82,;8.22,-47.36,;7.31,-46.12,;8.21,-44.87,;9.67,-45.34,;11.01,-44.56,;11,-43.02,;12.33,-42.24,;13.73,-42.86,;14.76,-41.71,;13.98,-40.38,;12.47,-40.71,;14.6,-38.97,;13.69,-37.73,;16.13,-38.8,;17.32,-39.76,;18.29,-38.56,;17.09,-37.6,;19.82,-38.39,;20.73,-39.63,;12.34,-45.32,;12.35,-46.85,;11.02,-47.64,;9.68,-46.87,;5.77,-46.13,;5,-44.8,;3.46,-44.81,;2.7,-46.15,;3.49,-47.48,;5.02,-47.47,;1.16,-46.17,;.38,-44.84,;.4,-47.51,;-.39,-46.16,)| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of N-terminal His6-tagged recombinant full length human p110delta/untagged recombinant full length human p85alpha expressed in baculovirus...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00237 BindingDB Entry DOI: 10.7270/Q28919NT
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50512302 (CHEMBL4441262) Show SMILES CCC(=O)N1CC[C@@H](C1)Nc1ncnc2n(C)c(nc12)-c1cnn(CC)c1C |r| Show InChI InChI=1S/C19H26N8O/c1-5-15(28)26-8-7-13(10-26)23-17-16-19(21-11-20-17)25(4)18(24-16)14-9-22-27(6-2)12(14)3/h9,11,13H,5-8,10H2,1-4H3,(H,20,21,23)/t13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of N-terminal His6-tagged recombinant full length human p110delta/untagged recombinant full length human p85alpha expressed in baculovirus...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00237 BindingDB Entry DOI: 10.7270/Q28919NT
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50575908 (CHEMBL4865449) Show SMILES CCn1c(nc2c(N[C@H]3CCN(C3)C(=O)C3CCOC3)ncnc12)-c1cnc(C)nc1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of N-terminal His6-tagged recombinant full length human p110delta/untagged recombinant full length human p85alpha expressed in baculovirus...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00237 BindingDB Entry DOI: 10.7270/Q28919NT
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50575911 (CHEMBL4847079) Show SMILES CCn1c(nc2c(N[C@H]3CCN(C3)C(=O)C3CC3)ncnc12)-c1ccc(nc1)C(F)(F)F |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of N-terminal His6-tagged recombinant full length human p110delta/untagged recombinant full length human p85alpha expressed in baculovirus...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00237 BindingDB Entry DOI: 10.7270/Q28919NT
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50575893 (CHEMBL4866823) Show SMILES CCC(=O)N1CC[C@@H](C1)Nc1ncnc2n(CC)c(nc12)-c1cnc(C)nc1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of N-terminal His6-tagged recombinant full length human p110delta/untagged recombinant full length human p85alpha expressed in baculovirus...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00237 BindingDB Entry DOI: 10.7270/Q28919NT
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50575884 (CHEMBL4849371) Show SMILES CCC(=O)N1CC[C@@H](C1)Nc1ncnc2n(CC)c(nc12)-c1cnn(CC)c1C |r| Show InChI	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	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PI3Kdelta in human Ramos cells assessed as reduction in anti-IgM-antibody-induced phosphorylation of AKT at Ser473 residue preincubated...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00237 BindingDB Entry DOI: 10.7270/Q28919NT
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50245691 (9-hydroxy-6-(3-(methylamino)propyl)-4-phenylpyrrol...) Show SMILES CNCCCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1 Show InChI InChI=1S/C24H21N3O3/c1-25-10-5-11-27-18-9-8-15(28)12-17(18)20-19(27)13-16(14-6-3-2-4-7-14)21-22(20)24(30)26-23(21)29/h2-4,6-9,12-13,25,28H,5,10-11H2,1H3,(H,26,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of Chk1 kinase assessed as GST-Cdc25 phosphorylation by Western blot determination				Eur J Med Chem 43: 1276-96 (2008) Article DOI: 10.1016/j.ejmech.2007.07.016 BindingDB Entry DOI: 10.7270/Q26M36MC
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50575909 (CHEMBL4846361) Show SMILES CCn1c(nc2c(N[C@H]3CCN(C3)C(=O)C3CCOCC3)ncnc12)-c1cnc(C)nc1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of N-terminal His6-tagged recombinant full length human p110delta/untagged recombinant full length human p85alpha expressed in baculovirus...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00237 BindingDB Entry DOI: 10.7270/Q28919NT
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Mus musculus (Mouse))	BDBM50575900 (CHEMBL4853960) Show SMILES CCn1c(nc2c(N[C@H]3CCN(C3)C(=O)C3CC3)ncnc12)-c1cnc(C)nc1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of mouse PI3Kdelta				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00237 BindingDB Entry DOI: 10.7270/Q28919NT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50575905 (CHEMBL4858978) Show SMILES CCn1c(nc2c(N[C@H]3CCN(C3)C(=O)C3CC(F)(F)C3)ncnc12)-c1cnc(C)nc1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of N-terminal His6-tagged recombinant full length human p110delta/untagged recombinant full length human p85alpha expressed in baculovirus...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00237 BindingDB Entry DOI: 10.7270/Q28919NT
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50575898 (CHEMBL4860474) Show SMILES CCC(=O)N1CC[C@@H](C1)Nc1ncnc2n(C)c(nc12)-c1cnc(OC)c(F)c1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of N-terminal His6-tagged recombinant full length human p110delta/untagged recombinant full length human p85alpha expressed in baculovirus...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00237 BindingDB Entry DOI: 10.7270/Q28919NT
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50575904 (CHEMBL4870367) Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)[C@@H]3C[C@@H](C3)OC)ncnc12)-c1cnc(C)nc1 |r,wU:15.15,17.20,wD:8.7,(21.37,-48.31,;22.88,-47.98,;23.34,-46.51,;22.43,-45.28,;23.32,-44.03,;24.79,-44.5,;26.13,-43.72,;26.12,-42.18,;27.45,-41.4,;28.85,-42.02,;29.87,-40.87,;29.1,-39.54,;27.59,-39.86,;29.72,-38.13,;28.81,-36.89,;31.24,-37.96,;32.44,-38.92,;33.41,-37.72,;32.2,-36.76,;34.94,-37.55,;35.85,-38.79,;27.46,-44.47,;27.47,-46.01,;26.14,-46.79,;24.8,-46.03,;20.89,-45.29,;20.12,-43.96,;18.66,-43.88,;17.82,-45.31,;16.28,-45.32,;18.6,-46.64,;20.14,-46.62,)| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of N-terminal His6-tagged recombinant full length human p110delta/untagged recombinant full length human p85alpha expressed in baculovirus...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00237 BindingDB Entry DOI: 10.7270/Q28919NT
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50575910 (CHEMBL4869910) Show SMILES CCn1c(nc2c(N[C@H]3CCN(C3)C(=O)c3cocn3)ncnc12)-c1cnc(C)nc1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of N-terminal His6-tagged recombinant full length human p110delta/untagged recombinant full length human p85alpha expressed in baculovirus...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00237 BindingDB Entry DOI: 10.7270/Q28919NT
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50245342 (4-(2-Chlorophenyl)-9-hydroxy-6-[2-hydroxy-3-(methy...) Show SMILES CNCC(O)Cn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl Show InChI InChI=1S/C24H20ClN3O4/c1-26-10-13(30)11-28-18-7-6-12(29)8-16(18)20-19(28)9-15(14-4-2-3-5-17(14)25)21-22(20)24(32)27-23(21)31/h2-9,13,26,29-30H,10-11H2,1H3,(H,27,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of Chk1 kinase assessed as GST-Cdc25 phosphorylation by Western blot determination				Eur J Med Chem 43: 1276-96 (2008) Article DOI: 10.1016/j.ejmech.2007.07.016 BindingDB Entry DOI: 10.7270/Q26M36MC
					More data for this Ligand-Target Pair				3D Structure (docked)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50232242 (4-(2-chlorophenyl)-8-(3-(dimethylamino)propoxy)-9-...) Show SMILES CN(C)CCCOc1cc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2cc1O)-c1ccccc1Cl Show InChI InChI=1S/C25H22ClN3O4/c1-29(2)8-5-9-33-20-12-17-15(11-19(20)30)21-18(27-17)10-14(13-6-3-4-7-16(13)26)22-23(21)25(32)28-24(22)31/h3-4,6-7,10-12,27,30H,5,8-9H2,1-2H3,(H,28,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of Chk1				Bioorg Med Chem Lett 18: 929-33 (2008) Article DOI: 10.1016/j.bmcl.2007.12.046 BindingDB Entry DOI: 10.7270/Q2ZS2XC3
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM334160 (9-ethyl-6-({(3S)-1-[(3- methoxyazetidin-1- yl)carb...) Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)N3CC(C3)OC)ncnc12)-c1cnc(C)nc1 |r| Show InChI InChI=1S/C21H26N8O3/c1-4-29-18(14-7-22-13(2)23-8-14)26-17-19(29)24-12-25-20(17)32-15-5-6-27(9-15)21(30)28-10-16(11-28)31-3/h7-8,12,15-16H,4-6,9-11H2,1-3H3/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of N-terminal His6-tagged recombinant full length human p110delta/untagged recombinant full length human p85alpha expressed in baculovirus...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00237 BindingDB Entry DOI: 10.7270/Q28919NT
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50575899 (CHEMBL4868988) Show SMILES CCC(=O)N1CC[C@@H](C1)Nc1ncnc2n(C)c(nc12)-c1cnc(OC)c(C)c1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of N-terminal His6-tagged recombinant full length human p110delta/untagged recombinant full length human p85alpha expressed in baculovirus...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00237 BindingDB Entry DOI: 10.7270/Q28919NT
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50575906 (CHEMBL4860194) Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC(F)(F)C3)ncnc12)-c1cnc(C)nc1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of N-terminal His6-tagged recombinant full length human p110delta/untagged recombinant full length human p85alpha expressed in baculovirus...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00237 BindingDB Entry DOI: 10.7270/Q28919NT
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50575901 (CHEMBL4878995) Show SMILES CCn1c(nc2c(N[C@H]3CCN(C3)C(=O)C3CCC3)ncnc12)-c1cnc(C)nc1 |r| Show InChI	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	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PI3Kdelta in human Ramos cells assessed as reduction in anti-IgM-antibody-induced phosphorylation of AKT at Ser473 residue preincubated...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00237 BindingDB Entry DOI: 10.7270/Q28919NT
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50575897 (CHEMBL4873332) Show SMILES CCC(=O)N1CC[C@@H](C1)Nc1ncnc2n(C)c(nc12)-c1ccc(OC)nc1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of N-terminal His6-tagged recombinant full length human p110delta/untagged recombinant full length human p85alpha expressed in baculovirus...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00237 BindingDB Entry DOI: 10.7270/Q28919NT
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50575891 (CHEMBL4852541) Show SMILES CCC(=O)N1CC[C@@H](C1)Nc1ncnc2n(C)c(nc12)-c1cnc(s1)C(C)(C)C |r| Show InChI	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	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PI3Kdelta in human Ramos cells assessed as reduction in anti-IgM-antibody-induced phosphorylation of AKT at Ser473 residue preincubated...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00237 BindingDB Entry DOI: 10.7270/Q28919NT
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50374070 (CHEMBL271084) Show SMILES Cn1c2cc(CCCCN3CCCC3)c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl Show InChI InChI=1S/C29H28ClN3O3/c1-32-22-14-17(8-4-5-11-33-12-6-7-13-33)24(34)16-20(22)25-23(32)15-19(18-9-2-3-10-21(18)30)26-27(25)29(36)31-28(26)35/h2-3,9-10,14-16,34H,4-8,11-13H2,1H3,(H,31,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of Chk1				Bioorg Med Chem Lett 18: 929-33 (2008) Article DOI: 10.1016/j.bmcl.2007.12.046 BindingDB Entry DOI: 10.7270/Q2ZS2XC3
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50575913 (CHEMBL4848054) Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CCOC3)ncnc12)-c1ccc(nc1)C(F)(F)F |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of N-terminal His6-tagged recombinant full length human p110delta/untagged recombinant full length human p85alpha expressed in baculovirus...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00237 BindingDB Entry DOI: 10.7270/Q28919NT
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50575892 (CHEMBL4848249) Show SMILES CCC(=O)N1CC[C@@H](C1)Nc1ncnc2n(C)c(nc12)-c1cnc(C)nc1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of N-terminal His6-tagged recombinant full length human p110delta/untagged recombinant full length human p85alpha expressed in baculovirus...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00237 BindingDB Entry DOI: 10.7270/Q28919NT
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50575895 (CHEMBL4847549) Show SMILES CCC(=O)N1CC[C@@H](C1)Nc1ncnc2n(C)c(nc12)-c1ccc(C)nc1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of N-terminal His6-tagged recombinant full length human p110delta/untagged recombinant full length human p85alpha expressed in baculovirus...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00237 BindingDB Entry DOI: 10.7270/Q28919NT
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50245693 (4-(2,6-dichlorophenyl)-9-hydroxy-6-(3-(methylamino...) Show SMILES CNCCCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1c(Cl)cccc1Cl |(17.83,-19.63,;19.34,-19.93,;20.36,-18.78,;19.88,-17.32,;20.9,-16.17,;20.41,-14.71,;18.93,-14.24,;17.59,-15.01,;16.26,-14.24,;16.26,-12.69,;14.93,-11.92,;17.59,-11.92,;18.92,-12.69,;20.4,-12.2,;21.01,-10.79,;20.38,-9.39,;18.87,-9.08,;21.51,-8.35,;22.85,-9.11,;24.25,-8.48,;22.54,-10.62,;23.47,-11.86,;22.85,-13.28,;21.31,-13.45,;24.99,-11.68,;25.91,-12.93,;25.3,-14.34,;27.44,-12.75,;28.05,-11.34,;27.13,-10.1,;25.6,-10.28,;25.59,-8.73,)| Show InChI InChI=1S/C24H19Cl2N3O3/c1-27-8-3-9-29-17-7-6-12(30)10-13(17)20-18(29)11-14(19-15(25)4-2-5-16(19)26)21-22(20)24(32)28-23(21)31/h2,4-7,10-11,27,30H,3,8-9H2,1H3,(H,28,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of Chk1 kinase assessed as GST-Cdc25 phosphorylation by Western blot determination				Eur J Med Chem 43: 1276-96 (2008) Article DOI: 10.1016/j.ejmech.2007.07.016 BindingDB Entry DOI: 10.7270/Q26M36MC
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM334045 (6-{[(3S)-1- (cyclopropylcarbonyl)pyrrolidin- 3-yl]...) Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC3)ncnc12)-c1ccc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C21H21F3N6O2/c1-2-30-17(13-5-6-15(25-9-13)21(22,23)24)28-16-18(30)26-11-27-19(16)32-14-7-8-29(10-14)20(31)12-3-4-12/h5-6,9,11-12,14H,2-4,7-8,10H2,1H3/t14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of N-terminal His6-tagged recombinant full length human p110delta/untagged recombinant full length human p85alpha expressed in baculovirus...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00237 BindingDB Entry DOI: 10.7270/Q28919NT
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50575887 (CHEMBL4865558) Show SMILES CCC(=O)N1CC[C@@H](C1)Nc1ncnc2n(CC(F)(F)F)c(nc12)-c1cnn(CC)c1C |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of N-terminal His6-tagged recombinant full length human p110delta/untagged recombinant full length human p85alpha expressed in baculovirus...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00237 BindingDB Entry DOI: 10.7270/Q28919NT
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM334006 (6-{[(3S)-1- (cyclopropylcarbonyl)pyrrolidin- 3-yl]...) Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC3)ncnc12)-c1cnc(C)nc1 |r| Show InChI InChI=1S/C20H23N7O2/c1-3-27-17(14-8-21-12(2)22-9-14)25-16-18(27)23-11-24-19(16)29-15-6-7-26(10-15)20(28)13-4-5-13/h8-9,11,13,15H,3-7,10H2,1-2H3/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of N-terminal His6-tagged recombinant full length human p110delta/untagged recombinant full length human p85alpha expressed in baculovirus...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00237 BindingDB Entry DOI: 10.7270/Q28919NT
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50575899 (CHEMBL4868988) Show SMILES CCC(=O)N1CC[C@@H](C1)Nc1ncnc2n(C)c(nc12)-c1cnc(OC)c(C)c1 |r| Show InChI	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	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PI3Kdelta in human Ramos cells assessed as reduction in anti-IgM-antibody-induced phosphorylation of AKT at Ser473 residue preincubated...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00237 BindingDB Entry DOI: 10.7270/Q28919NT
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM50245523 (3-(4-(2-chlorophenyl)-9-hydroxy-1,3-dioxo-2,3-dihy...) Show SMILES NC(=O)CCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl Show InChI InChI=1S/C23H16ClN3O4/c24-15-4-2-1-3-12(15)13-10-17-19(21-20(13)22(30)26-23(21)31)14-9-11(28)5-6-16(14)27(17)8-7-18(25)29/h1-6,9-10,28H,7-8H2,(H2,25,29)(H,26,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of human Wee1 assessed as polyornithine-tyrosine copolymer phosphorylation				Eur J Med Chem 43: 1276-96 (2008) Article DOI: 10.1016/j.ejmech.2007.07.016 BindingDB Entry DOI: 10.7270/Q26M36MC
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM334012 (9-ethyl-8-(2-methylpyrimidin-5- yl)-6-{[(3S)-1-(te...) Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CCOC3)ncnc12)-c1cnc(C)nc1 |r| Show InChI InChI=1S/C21H25N7O3/c1-3-28-18(15-8-22-13(2)23-9-15)26-17-19(28)24-12-25-20(17)31-16-4-6-27(10-16)21(29)14-5-7-30-11-14/h8-9,12,14,16H,3-7,10-11H2,1-2H3/t14?,16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of N-terminal His6-tagged recombinant full length human p110delta/untagged recombinant full length human p85alpha expressed in baculovirus...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00237 BindingDB Entry DOI: 10.7270/Q28919NT
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM334036 (9-ethyl-8-(2-methylpyrimidin-5- yl)-6-{[(3S)-1-(1,...) Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)c3cocn3)ncnc12)-c1cnc(C)nc1 |r| Show InChI InChI=1S/C20H20N8O3/c1-3-28-17(13-6-21-12(2)22-7-13)26-16-18(28)23-10-24-19(16)31-14-4-5-27(8-14)20(29)15-9-30-11-25-15/h6-7,9-11,14H,3-5,8H2,1-2H3/t14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of N-terminal His6-tagged recombinant full length human p110delta/untagged recombinant full length human p85alpha expressed in baculovirus...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00237 BindingDB Entry DOI: 10.7270/Q28919NT
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM50245387 (3-(4-(2-chlorophenyl)-9-hydroxy-1,3-dioxo-2,3-dihy...) Show SMILES Oc1ccc2n(CCC(=O)NS(=O)(=O)c3ccccc3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1Cl Show InChI InChI=1S/C29H20ClN3O6S/c30-21-9-5-4-8-18(21)19-15-23-25(27-26(19)28(36)31-29(27)37)20-14-16(34)10-11-22(20)33(23)13-12-24(35)32-40(38,39)17-6-2-1-3-7-17/h1-11,14-15,34H,12-13H2,(H,32,35)(H,31,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of human Wee1 assessed as polyornithine-tyrosine copolymer phosphorylation				Eur J Med Chem 43: 1276-96 (2008) Article DOI: 10.1016/j.ejmech.2007.07.016 BindingDB Entry DOI: 10.7270/Q26M36MC
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Mus musculus)	BDBM50029593 (CHEMBL7162 | N-(2-(cyclohexyloxy)-4-nitrophenyl)me...) Show SMILES CS(=O)(=O)Nc1ccc(cc1OC1CCCCC1)[N+]([O-])=O Show InChI InChI=1S/C13H18N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h7-9,11,14H,2-6H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Kyung Hee University Curated by ChEMBL					Assay Description Inhibition of mPGES-1 in mouse RAW264.7 cells assessed as reduction in LPS-induced PGE2 production after 24 hrs				Bioorg Med Chem Lett 26: 5193-5197 (2016) Article DOI: 10.1016/j.bmcl.2016.09.070 BindingDB Entry DOI: 10.7270/Q2W097WN
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50374063 (CHEMBL270866) Show SMILES Cn1c2cc(c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl)S(=O)CCCN1CCCC1 Show InChI InChI=1S/C28H26ClN3O4S/c1-31-20-15-23(37(36)12-6-11-32-9-4-5-10-32)22(33)14-18(20)24-21(31)13-17(16-7-2-3-8-19(16)29)25-26(24)28(35)30-27(25)34/h2-3,7-8,13-15,33H,4-6,9-12H2,1H3,(H,30,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of Chk1				Bioorg Med Chem Lett 18: 929-33 (2008) Article DOI: 10.1016/j.bmcl.2007.12.046 BindingDB Entry DOI: 10.7270/Q2ZS2XC3
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM50245496 (4-(2,6-Dichlorophenyl)-9-hydroxy-6-(3-hydroxypropy...) Show SMILES OCCCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1c(Cl)cccc1Cl |(23.53,-35.27,;24.56,-34.12,;24.08,-32.66,;25.11,-31.51,;24.63,-30.05,;23.16,-29.57,;21.82,-30.34,;20.49,-29.57,;20.49,-28.02,;19.16,-27.25,;21.82,-27.25,;23.16,-28.02,;24.63,-27.54,;25.26,-26.13,;24.64,-24.72,;23.13,-24.4,;25.78,-23.7,;27.11,-24.47,;28.52,-23.85,;26.79,-25.97,;27.71,-27.22,;27.08,-28.64,;25.54,-28.79,;29.23,-27.06,;30.14,-28.31,;29.51,-29.72,;31.67,-28.15,;32.3,-26.75,;31.38,-25.5,;29.86,-25.66,;29.84,-24.12,)| Show InChI InChI=1S/C23H16Cl2N2O4/c24-14-3-1-4-15(25)18(14)13-10-17-19(21-20(13)22(30)26-23(21)31)12-9-11(29)5-6-16(12)27(17)7-2-8-28/h1,3-6,9-10,28-29H,2,7-8H2,(H,26,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of human Wee1 assessed as polyornithine-tyrosine copolymer phosphorylation				Eur J Med Chem 43: 1276-96 (2008) Article DOI: 10.1016/j.ejmech.2007.07.016 BindingDB Entry DOI: 10.7270/Q26M36MC
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50575914 (CHEMBL4858747) Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)c3cocn3)ncnc12)-c1ccc(nc1)C(F)(F)F |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of N-terminal His6-tagged recombinant full length human p110delta/untagged recombinant full length human p85alpha expressed in baculovirus...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00237 BindingDB Entry DOI: 10.7270/Q28919NT
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50575883 (CHEMBL4860877) Show SMILES CCC(=O)N1CC[C@@H](C1)Nc1ncnc2[nH]c(nc12)-c1cnn(CC)c1C |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of N-terminal His6-tagged recombinant full length human p110delta/untagged recombinant full length human p85alpha expressed in baculovirus...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00237 BindingDB Entry DOI: 10.7270/Q28919NT
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM50245457 (4-(2,6-Dichlorophenyl)-9-hydroxy-6-(2-hydroxyethyl...) Show SMILES OCCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1c(Cl)cccc1Cl |(20.53,-24.9,;20.05,-23.43,;21.08,-22.29,;20.6,-20.82,;19.13,-20.34,;17.8,-21.11,;16.46,-20.34,;16.46,-18.8,;15.13,-18.03,;17.79,-18.03,;19.13,-18.79,;20.6,-18.31,;21.23,-16.9,;20.61,-15.5,;19.1,-15.18,;21.75,-14.47,;23.08,-15.24,;24.49,-14.62,;22.76,-16.75,;23.68,-18,;23.05,-19.41,;21.51,-19.57,;25.2,-17.84,;26.11,-19.09,;25.48,-20.49,;27.64,-18.93,;28.27,-17.52,;27.35,-16.27,;25.83,-16.44,;25.81,-14.89,)| Show InChI InChI=1S/C22H14Cl2N2O4/c23-13-2-1-3-14(24)17(13)12-9-16-18(20-19(12)21(29)25-22(20)30)11-8-10(28)4-5-15(11)26(16)6-7-27/h1-5,8-9,27-28H,6-7H2,(H,25,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of human Wee1 assessed as polyornithine-tyrosine copolymer phosphorylation				Eur J Med Chem 43: 1276-96 (2008) Article DOI: 10.1016/j.ejmech.2007.07.016 BindingDB Entry DOI: 10.7270/Q26M36MC
					More data for this Ligand-Target Pair

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