Compile Data Set for Download or QSAR

Found 2129 hits with Last Name = 'nagle' and Initial = 'a'   

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))	BDBM50573166 (CHEMBL4869783) Show SMILES COc1ncc(cc1S(=O)(=O)Nc1cncc(c1)-c1ccc(CN2C[C@H](C)O[C@H](C)C2)cc1)C1=CCOCC1 |r,t:37| 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	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human N-terminal His6-tagged full length P110delta/full length untagged human p85alpha expressed in baculovirus infected Sf...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01102 BindingDB Entry DOI: 10.7270/Q2N87FKX
					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))	BDBM50573157 (CHEMBL4850297) Show SMILES COc1ncc(cc1S(=O)(=O)Nc1cncc(c1)-c1ccc(CN2CCN(CC2)C(C)C)cc1)C1=CCOCC1 |t:38| 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	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human N-terminal His6-tagged full length P110delta/full length untagged human p85alpha expressed in baculovirus infected Sf...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01102 BindingDB Entry DOI: 10.7270/Q2N87FKX
					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))	BDBM50573177 (CHEMBL4167702) Show SMILES COc1ncc(cc1S(=O)(=O)Nc1ccnc(c1)-c1ccc(CN2CCN(CC2)C(C)C)cc1F)N1CCOCC1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	0.0126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human N-terminal His6-tagged full length P110delta/full length untagged human p85alpha expressed in baculovirus infected Sf...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01102 BindingDB Entry DOI: 10.7270/Q2N87FKX
					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))	BDBM50573167 (CHEMBL4858875) Show SMILES COc1ncc(cc1S(=O)(=O)Nc1cncc(c1)-c1ccc(CN2C[C@H](C)N(C)[C@H](C)C2)cc1)C1=CCOCC1 |r,t:38| 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	0.0158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human N-terminal His6-tagged full length P110delta/full length untagged human p85alpha expressed in baculovirus infected Sf...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01102 BindingDB Entry DOI: 10.7270/Q2N87FKX
					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))	BDBM50573181 (CHEMBL4165185) Show SMILES COc1ncc(cc1S(=O)(=O)Nc1ccnc(c1)-c1ccc(CN2CCN(CC2)C(C)(C)C)cc1)N1CCOCC1 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	0.0251	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human N-terminal His6-tagged full length P110delta/full length untagged human p85alpha expressed in baculovirus infected Sf...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01102 BindingDB Entry DOI: 10.7270/Q2N87FKX
					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))	BDBM50573164 (CHEMBL4873390) Show SMILES COc1ncc(cc1S(=O)(=O)Nc1cncc(c1)-c1ccc(CN2CCN(CC2)C(C)C)nc1)C1=CCOCC1 |t:38| 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	0.0251	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human N-terminal His6-tagged full length P110delta/full length untagged human p85alpha expressed in baculovirus infected Sf...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01102 BindingDB Entry DOI: 10.7270/Q2N87FKX
					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))	BDBM50573182 (CHEMBL4175571) Show SMILES COc1ncc(cc1S(=O)(=O)Nc1ccnc(c1)-c1ccc(CN2CCN(CC2)C(C)(C)C)cc1F)N1CCOCC1 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	0.0251	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human N-terminal His6-tagged full length P110delta/full length untagged human p85alpha expressed in baculovirus infected Sf...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01102 BindingDB Entry DOI: 10.7270/Q2N87FKX
					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))	BDBM50573180 (CHEMBL4175737) Show SMILES COc1ncc(cc1S(=O)(=O)Nc1ccnc(c1)-c1ccc(CN2C[C@H](C)O[C@H](C)C2)cc1F)N1CCOCC1 |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	0.0316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human N-terminal His6-tagged full length P110delta/full length untagged human p85alpha expressed in baculovirus infected Sf...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01102 BindingDB Entry DOI: 10.7270/Q2N87FKX
					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))	BDBM50573175 (CHEMBL4169192) Show SMILES COc1ncc(cc1S(=O)(=O)Nc1ccnc(c1)-c1ccc(CN2CCN(CC2)C(C)C)cc1)N1CCOCC1 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	0.0398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human N-terminal His6-tagged full length P110delta/full length untagged human p85alpha expressed in baculovirus infected Sf...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01102 BindingDB Entry DOI: 10.7270/Q2N87FKX
					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))	BDBM50573176 (CHEMBL4173087) Show SMILES COc1ncc(cc1S(=O)(=O)Nc1ccnc(c1)-c1ccc(CN2CCN(CC2)C(C)C)c(F)c1)N1CCOCC1 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	0.0501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human N-terminal His6-tagged full length P110delta/full length untagged human p85alpha expressed in baculovirus infected Sf...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01102 BindingDB Entry DOI: 10.7270/Q2N87FKX
					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))	BDBM50573179 (CHEMBL4174874) Show SMILES COc1ncc(cc1S(=O)(=O)Nc1ccnc(c1)-c1ccc(CN2CCC(CC2)C(C)(C)O)cc1F)N1CCOCC1 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	0.0501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human N-terminal His6-tagged full length P110delta/full length untagged human p85alpha expressed in baculovirus infected Sf...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01102 BindingDB Entry DOI: 10.7270/Q2N87FKX
					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))	BDBM50573178 (CHEMBL4170075) Show SMILES COc1ncc(cc1S(=O)(=O)Nc1ccnc(c1)-c1ccc(CN2CCN(CC2)C(C)C)c(F)c1F)N1CCOCC1 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	0.0631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human N-terminal His6-tagged full length P110delta/full length untagged human p85alpha expressed in baculovirus infected Sf...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01102 BindingDB Entry DOI: 10.7270/Q2N87FKX
					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))	BDBM50573170 (CHEMBL4855234) Show SMILES COc1ncc(cc1S(=O)(=O)Nc1cncc(c1)-c1ccc(CN2CCN(CC2)C(C)C)cc1)N1CCOCC1 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	0.0794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human N-terminal His6-tagged full length P110delta/full length untagged human p85alpha expressed in baculovirus infected Sf...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01102 BindingDB Entry DOI: 10.7270/Q2N87FKX
					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))	BDBM50573159 (CHEMBL4867203) Show SMILES COc1ncc(cc1S(=O)(=O)Nc1cncc(c1)-c1ccc(CN2CCNCC2)cc1)C1=CCOCC1 |t:35| 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	0.126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human N-terminal His6-tagged full length P110delta/full length untagged human p85alpha expressed in baculovirus infected Sf...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01102 BindingDB Entry DOI: 10.7270/Q2N87FKX
					More data for this Ligand-Target Pair
Solute carrier family 22 member 6 (Homo sapiens (Human))	BDBM50270006 (2-(4-aminobenzamido)acetate | AMINOHIPPURATE) Show SMILES Nc1ccc(cc1)C(=O)NCC([O-])=O Show InChI InChI=1S/C9H10N2O3/c10-7-3-1-6(2-4-7)9(14)11-5-8(12)13/h1-4H,5,10H2,(H,11,14)(H,12,13)/p-1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	6.02E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human Oat1 expressed in Drosophila S2 cells				Bioorg Med Chem 19: 3320-40 (2011) Article DOI: 10.1016/j.bmc.2011.04.045 BindingDB Entry DOI: 10.7270/Q2TB17WF
					More data for this Ligand-Target Pair
Solute carrier family 22 member 6 (Rattus norvegicus)	BDBM50344967 (2-[(4-Isopropyl-cyclohexanecarbonyl)-amino]-3-phen...) Show SMILES CC(C)[C@H]1CC[C@@H](CC1)C(=O)N[C@H](Cc1ccccc1)C(O)=O |r,wU:6.9,wD:12.12,3.2,(9.97,-8.16,;11.31,-7.39,;12.64,-8.16,;11.31,-5.85,;12.64,-5.08,;12.64,-3.53,;11.3,-2.78,;9.97,-3.55,;9.97,-5.08,;11.3,-1.24,;12.63,-.46,;9.96,-.47,;9.96,1.07,;8.62,1.83,;7.29,1.06,;5.95,1.82,;4.63,1.05,;4.62,-.49,;5.96,-1.27,;7.29,-.49,;11.29,1.84,;12.62,1.08,;11.28,3.38,)| Show InChI InChI=1S/C19H27NO3/c1-13(2)15-8-10-16(11-9-15)18(21)20-17(19(22)23)12-14-6-4-3-5-7-14/h3-7,13,15-17H,8-12H2,1-2H3,(H,20,21)(H,22,23)/t15-,16-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	9.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of rat Oat1 expressed in Xenopus oocytes				Bioorg Med Chem 19: 3320-40 (2011) Article DOI: 10.1016/j.bmc.2011.04.045 BindingDB Entry DOI: 10.7270/Q2TB17WF
					More data for this Ligand-Target Pair
Solute carrier family 22 member 6 (Rattus norvegicus)	BDBM50328021 ((2-Hydroxy-benzoylamino)-acetic acid | 2-(2-hydrox...) Show SMILES OC(=O)CNC(=O)c1ccccc1O Show InChI InChI=1S/C9H9NO4/c11-7-4-2-1-3-6(7)9(14)10-5-8(12)13/h1-4,11H,5H2,(H,10,14)(H,12,13)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of rat Oat1 expressed in Xenopus oocytes				Bioorg Med Chem 19: 3320-40 (2011) Article DOI: 10.1016/j.bmc.2011.04.045 BindingDB Entry DOI: 10.7270/Q2TB17WF
					More data for this Ligand-Target Pair
Solute carrier family 22 member 6 (Homo sapiens (Human))	BDBM50344963 (1-Methylpyrenyl mercapturic acid | CHEMBL1778337) Show SMILES CC(=O)NC(CSCC1=CC=C2C=Cc3cccc4CC=C1C2c34)C(O)=O |c:12,t:8,10,20| Show InChI InChI=1S/C22H21NO3S/c1-13(24)23-19(22(25)26)12-27-11-17-8-7-16-6-5-14-3-2-4-15-9-10-18(17)21(16)20(14)15/h2-8,10,19,21H,9,11-12H2,1H3,(H,23,24)(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	1.45E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human Oat1 expressed in HEK293 cells				Bioorg Med Chem 19: 3320-40 (2011) Article DOI: 10.1016/j.bmc.2011.04.045 BindingDB Entry DOI: 10.7270/Q2TB17WF
					More data for this Ligand-Target Pair
Solute carrier family 22 member 6 (Homo sapiens (Human))	BDBM50344964 (Betamipron | CHEMBL1231530 | N-(phenylcarbonyl)-be...) Show SMILES OC(=O)CCNC(=O)c1ccccc1 Show InChI InChI=1S/C10H11NO3/c12-9(13)6-7-11-10(14)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,14)(H,12,13)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.36E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human Oat1 expressed in Drosophila S2 cells				Bioorg Med Chem 19: 3320-40 (2011) Article DOI: 10.1016/j.bmc.2011.04.045 BindingDB Entry DOI: 10.7270/Q2TB17WF
					More data for this Ligand-Target Pair
Solute carrier family 22 member 6 (Rattus norvegicus)	BDBM50009999 (CHEMBL461 | N-benzoylglycine) Show SMILES OC(=O)CNC(=O)c1ccccc1 Show InChI InChI=1S/C9H9NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.75E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of rat Oat1 expressed in pig LLC-PK11 cells				Bioorg Med Chem 19: 3320-40 (2011) Article DOI: 10.1016/j.bmc.2011.04.045 BindingDB Entry DOI: 10.7270/Q2TB17WF
					More data for this Ligand-Target Pair
Solute carrier family 22 member 6 (Rattus norvegicus)	BDBM50344965 (1-(4-chlorophenylsulfonyl)-3-propylurea | 4-chloro...) Show SMILES CCCNC(=O)NS(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C10H13ClN2O3S/c1-2-7-12-10(14)13-17(15,16)9-5-3-8(11)4-6-9/h3-6H,2,7H2,1H3,(H2,12,13,14)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	3.95E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of rat Oat1 expressed in Xenopus oocytes				Bioorg Med Chem 19: 3320-40 (2011) Article DOI: 10.1016/j.bmc.2011.04.045 BindingDB Entry DOI: 10.7270/Q2TB17WF
					More data for this Ligand-Target Pair
Solute carrier family 22 member 6 (Rattus norvegicus)	BDBM20688 ((3R,5R)-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-...) Show SMILES [H][C@]12[C@H](C[C@H](O)C=C1C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(O)=O)OC(=O)[C@@H](C)CC |r,c:6,9| Show InChI InChI=1S/C23H36O7/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28)/t13-,14-,16+,17+,18+,19-,20-,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	5.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of rat Oat1 expressed in pig LLC-PK11 cells				Bioorg Med Chem 19: 3320-40 (2011) Article DOI: 10.1016/j.bmc.2011.04.045 BindingDB Entry DOI: 10.7270/Q2TB17WF
					More data for this Ligand-Target Pair
Solute carrier family 22 member 6 (Rattus norvegicus)	BDBM50027886 (1-Butyl-3-(p-methylphenylsulfonyl)urea | 1-Butyl-3...) Show SMILES CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1 Show InChI InChI=1S/C12H18N2O3S/c1-3-4-9-13-12(15)14-18(16,17)11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3,(H2,13,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	5.55E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of rat Oat1 expressed in Xenopus oocytes				Bioorg Med Chem 19: 3320-40 (2011) Article DOI: 10.1016/j.bmc.2011.04.045 BindingDB Entry DOI: 10.7270/Q2TB17WF
					More data for this Ligand-Target Pair
Solute carrier family 22 member 6 (Mus musculus)	BDBM50009999 (CHEMBL461 | N-benzoylglycine) Show SMILES OC(=O)CNC(=O)c1ccccc1 Show InChI InChI=1S/C9H9NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	5.56E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of mouse Oat1 expressed in Xenopus oocytes				Bioorg Med Chem 19: 3320-40 (2011) Article DOI: 10.1016/j.bmc.2011.04.045 BindingDB Entry DOI: 10.7270/Q2TB17WF
					More data for this Ligand-Target Pair
Solute carrier family 22 member 6 (Homo sapiens (Human))	BDBM50009999 (CHEMBL461 | N-benzoylglycine) Show SMILES OC(=O)CNC(=O)c1ccccc1 Show InChI InChI=1S/C9H9NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	6.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human Oat1 expressed in HEK293 cells				Bioorg Med Chem 19: 3320-40 (2011) Article DOI: 10.1016/j.bmc.2011.04.045 BindingDB Entry DOI: 10.7270/Q2TB17WF
					More data for this Ligand-Target Pair
Solute carrier family 22 member 6 (Mus musculus)	BDBM50269993 ((4-hydroxyphenyl)pyruvate | 3-(4-Hydroxyphenyl)pyr...) Show SMILES Oc1ccc(CC(=O)C([O-])=O)cc1 Show InChI InChI=1S/C9H8O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,10H,5H2,(H,12,13)/p-1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	7.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of mouse Oat1 expressed in Xenopus oocytes assessed as inhibition 6-carboxyfluorescein uptake after 1 hr by fluorometric analysis				Bioorg Med Chem 19: 3320-40 (2011) Article DOI: 10.1016/j.bmc.2011.04.045 BindingDB Entry DOI: 10.7270/Q2TB17WF
					More data for this Ligand-Target Pair
Solute carrier family 22 member 6 (Mus musculus)	BDBM50269993 ((4-hydroxyphenyl)pyruvate | 3-(4-Hydroxyphenyl)pyr...) Show SMILES Oc1ccc(CC(=O)C([O-])=O)cc1 Show InChI InChI=1S/C9H8O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,10H,5H2,(H,12,13)/p-1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	7.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of mouse Oat1 expressed in Xenopus oocytes				Bioorg Med Chem 19: 3320-40 (2011) Article DOI: 10.1016/j.bmc.2011.04.045 BindingDB Entry DOI: 10.7270/Q2TB17WF
					More data for this Ligand-Target Pair
Solute carrier family 22 member 6 (Mus musculus)	BDBM50269985 (2-oxo-3-phenylpropanoate | 3-(4-hydroxyphenyl)pyru...) Show SMILES [O-]C(=O)C(=O)Cc1ccccc1 Show InChI InChI=1S/C9H8O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,11,12)/p-1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	7.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of mouse Oat1 expressed in Xenopus oocytes				Bioorg Med Chem 19: 3320-40 (2011) Article DOI: 10.1016/j.bmc.2011.04.045 BindingDB Entry DOI: 10.7270/Q2TB17WF
					More data for this Ligand-Target Pair
Solute carrier family 22 member 6 (Homo sapiens (Human))	BDBM50344960 (3-HYDROXYPENTANEDIOIC ACID | 3-Hydroxyglutarate | ...) Show SMILES OC(CC(O)=O)CC(O)=O Show InChI InChI=1S/C5H8O5/c6-3(1-4(7)8)2-5(9)10/h3,6H,1-2H2,(H,7,8)(H,9,10)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	9.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human Oat1 expressed in HEK293 cells				Bioorg Med Chem 19: 3320-40 (2011) Article DOI: 10.1016/j.bmc.2011.04.045 BindingDB Entry DOI: 10.7270/Q2TB17WF
					More data for this Ligand-Target Pair
Solute carrier family 22 member 6 (Rattus norvegicus)	BDBM50016799 ((1,8-Diethyl-1,3,4,9-tetrahydro-pyrano[3,4-b]indol...) Show SMILES CCc1cccc2c3CCOC(CC)(CC(O)=O)c3[nH]c12 Show InChI InChI=1S/C17H21NO3/c1-3-11-6-5-7-12-13-8-9-21-17(4-2,10-14(19)20)16(13)18-15(11)12/h5-7,18H,3-4,8-10H2,1-2H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of rat Oat1 expressed in pig LLC-PK11 cells				Bioorg Med Chem 19: 3320-40 (2011) Article DOI: 10.1016/j.bmc.2011.04.045 BindingDB Entry DOI: 10.7270/Q2TB17WF
					More data for this Ligand-Target Pair
Solute carrier family 22 member 6 (Mus musculus)	BDBM50269986 (3-(4-Hydroxyphenyl)lactate | 4-Hydroxyphenyllactat...) Show SMILES OC(Cc1ccc(O)cc1)C([O-])=O Show InChI InChI=1S/C9H10O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8,10-11H,5H2,(H,12,13)/p-1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	2.23E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of mouse Oat1 expressed in Xenopus oocytes				Bioorg Med Chem 19: 3320-40 (2011) Article DOI: 10.1016/j.bmc.2011.04.045 BindingDB Entry DOI: 10.7270/Q2TB17WF
					More data for this Ligand-Target Pair
Solute carrier family 22 member 6 (Mus musculus)	BDBM50269986 (3-(4-Hydroxyphenyl)lactate | 4-Hydroxyphenyllactat...) Show SMILES OC(Cc1ccc(O)cc1)C([O-])=O Show InChI InChI=1S/C9H10O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8,10-11H,5H2,(H,12,13)/p-1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	2.23E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of mouse Oat1 expressed in Xenopus oocytes assessed as inhibition 6-carboxyfluorescein uptake after 1 hr by fluorometric analysis				Bioorg Med Chem 19: 3320-40 (2011) Article DOI: 10.1016/j.bmc.2011.04.045 BindingDB Entry DOI: 10.7270/Q2TB17WF
					More data for this Ligand-Target Pair
Solute carrier family 22 member 6 (Rattus norvegicus)	BDBM50344959 (17beta-Estradiol-17-(beta-D-glucuronide) | CHEMBL1...) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O |r| Show InChI InChI=1S/C24H32O8/c1-24-9-8-14-13-5-3-12(25)10-11(13)2-4-15(14)16(24)6-7-17(24)31-23-20(28)18(26)19(27)21(32-23)22(29)30/h3,5,10,14-21,23,25-28H,2,4,6-9H2,1H3,(H,29,30)/t14-,15-,16+,17+,18+,19+,20-,21+,23-,24+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	>3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of rat Oat1 expressed in pig LLC-PK11 cells				Bioorg Med Chem 19: 3320-40 (2011) Article DOI: 10.1016/j.bmc.2011.04.045 BindingDB Entry DOI: 10.7270/Q2TB17WF
					More data for this Ligand-Target Pair
Solute carrier family 22 member 6 (Mus musculus)	BDBM50344958 ((S)-2-acetamidosuccinate | CHEMBL1162494 | N-Acety...) Show SMILES CC(=O)N[C@@H](CC(O)=O)C(O)=O |r| Show InChI InChI=1S/C6H9NO5/c1-3(8)7-4(6(11)12)2-5(9)10/h4H,2H2,1H3,(H,7,8)(H,9,10)(H,11,12)/t4-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	8.40E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of mouse Oat1 expressed in Xenopus oocytes				Bioorg Med Chem 19: 3320-40 (2011) Article DOI: 10.1016/j.bmc.2011.04.045 BindingDB Entry DOI: 10.7270/Q2TB17WF
					More data for this Ligand-Target Pair
Solute carrier family 22 member 6 (Mus musculus)	BDBM50344962 ((2S)-2-HYDROXYPENTANEDIOIC ACID | CHEMBL1615211 | ...) Show SMILES O[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C5H8O5/c6-3(5(9)10)1-2-4(7)8/h3,6H,1-2H2,(H,7,8)(H,9,10)/t3-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	8.40E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of mouse Oat1 expressed in Xenopus oocytes				Bioorg Med Chem 19: 3320-40 (2011) Article DOI: 10.1016/j.bmc.2011.04.045 BindingDB Entry DOI: 10.7270/Q2TB17WF
					More data for this Ligand-Target Pair
Solute carrier family 22 member 6 (Mus musculus)	BDBM50344958 ((S)-2-acetamidosuccinate | CHEMBL1162494 | N-Acety...) Show SMILES CC(=O)N[C@@H](CC(O)=O)C(O)=O |r| Show InChI InChI=1S/C6H9NO5/c1-3(8)7-4(6(11)12)2-5(9)10/h4H,2H2,1H3,(H,7,8)(H,9,10)(H,11,12)/t4-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	8.40E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of mouse Oat1 expressed in Xenopus oocytes assessed as inhibition 6-carboxyfluorescein uptake after 1 hr by fluorometric analysis				Bioorg Med Chem 19: 3320-40 (2011) Article DOI: 10.1016/j.bmc.2011.04.045 BindingDB Entry DOI: 10.7270/Q2TB17WF
					More data for this Ligand-Target Pair
Solute carrier family 22 member 6 (Rattus norvegicus)	BDBM50344966 (CHEMBL1778338 | N-Acetyl-S-ethyl-L-cystein) Show SMILES CCSC[C@H](NC(C)=O)C(O)=O |r| Show InChI InChI=1S/C7H13NO3S/c1-3-12-4-6(7(10)11)8-5(2)9/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11)/t6-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents	Article PubMed	1.10E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of rat Oat1 expressed in Xenopus oocytes				Bioorg Med Chem 19: 3320-40 (2011) Article DOI: 10.1016/j.bmc.2011.04.045 BindingDB Entry DOI: 10.7270/Q2TB17WF
					More data for this Ligand-Target Pair
Solute carrier family 22 member 6 (Homo sapiens (Human))	BDBM50344961 (CHEMBL510139 | citrinin) Show SMILES C[C@H]1OC=C2C(=O)C(C(O)=O)C(=O)C(C)=C2[C@@H]1C |r,c:14,t:3| Show InChI InChI=1S/C13H14O5/c1-5-7(3)18-4-8-9(5)6(2)11(14)10(12(8)15)13(16)17/h4-5,7,10H,1-3H3,(H,16,17)/t5-,7-,10?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	3.08E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Oat1				Bioorg Med Chem 19: 3320-40 (2011) Article DOI: 10.1016/j.bmc.2011.04.045 BindingDB Entry DOI: 10.7270/Q2TB17WF
					More data for this Ligand-Target Pair
Solute carrier family 22 member 6 (Mus musculus)	BDBM50344957 ((3S)-3-HYDROXYBUTANOIC ACID | (S)-3-hydroxybutanoa...) Show SMILES C[C@H](O)CC(O)=O |r| Show InChI InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	3.22E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of mouse Oat1 expressed in Xenopus oocytes assessed as inhibition 6-carboxyfluorescein uptake after 1 hr by fluorometric analysis				Bioorg Med Chem 19: 3320-40 (2011) Article DOI: 10.1016/j.bmc.2011.04.045 BindingDB Entry DOI: 10.7270/Q2TB17WF
					More data for this Ligand-Target Pair
Solute carrier family 22 member 6 (Mus musculus)	BDBM50344957 ((3S)-3-HYDROXYBUTANOIC ACID | (S)-3-hydroxybutanoa...) Show SMILES C[C@H](O)CC(O)=O |r| Show InChI InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	3.32E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of mouse Oat1 expressed in Xenopus oocytes				Bioorg Med Chem 19: 3320-40 (2011) Article DOI: 10.1016/j.bmc.2011.04.045 BindingDB Entry DOI: 10.7270/Q2TB17WF
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50573153 (CHEMBL4877995) Show SMILES COc1ncc(cc1S(=O)(=O)Nc1cncc(c1)C1CC1CN(C)C)C1=CCOCC1 |t:28| 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	0	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PI3Kdelta in human whole blood assessed as reduction in cytostim-stimulated IFNgamma production preincubated for 1 hr followed by cytos...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01102 BindingDB Entry DOI: 10.7270/Q2N87FKX
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50515378 (CHEMBL4443947) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)CCOCCOCCOCC#Cc1cnc(OC[C@@H]2CCC(=O)N2)c2cc(OC)c(cc12)C(N)=O |r| Show InChI InChI=1S/C53H70N8O11/c1-33(55-2)50(65)60-48(35-12-5-4-6-13-35)53(67)61-31-38(27-44(61)51(66)59-43-17-9-14-34-11-7-8-16-39(34)43)58-47(63)20-22-70-24-26-71-25-23-69-21-10-15-36-30-56-52(72-32-37-18-19-46(62)57-37)41-29-45(68-3)42(49(54)64)28-40(36)41/h7-8,11,16,28-30,33,35,37-38,43-44,48,55H,4-6,9,12-14,17-27,31-32H2,1-3H3,(H2,54,64)(H,57,62)(H,58,63)(H,59,66)(H,60,65)/t33-,37-,38-,43+,44-,48-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0220	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Binding affinity to human IRK4 using myelin basic protein as substrate by [gamma-33P]-ATP assay				ACS Med Chem Lett 10: 1081-1085 (2019) Article DOI: 10.1021/acsmedchemlett.9b00219 BindingDB Entry DOI: 10.7270/Q2RF5ZCB
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50515375 (CHEMBL4448950) Show SMILES COc1cc2c(OC[C@@H]3CCC(=O)N3)ncc(C#CCCCCCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(cc3)-c3scnc3C)C(C)(C)C)c2cc1C(N)=O |r| Show InChI InChI=1S/C51H65N7O8S/c1-32-45(67-31-55-32)34-20-18-33(19-21-34)27-53-48(63)41-24-37(59)29-58(41)50(64)46(51(2,3)4)57-43(60)17-15-13-11-9-7-6-8-10-12-14-16-35-28-54-49(66-30-36-22-23-44(61)56-36)39-26-42(65-5)40(47(52)62)25-38(35)39/h18-21,25-26,28,31,36-37,41,46,59H,6-13,15,17,22-24,27,29-30H2,1-5H3,(H2,52,62)(H,53,63)(H,56,61)(H,57,60)/t36-,37+,41-,46+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0990	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Binding affinity to human IRK4 using myelin basic protein as substrate by [gamma-33P]-ATP assay				ACS Med Chem Lett 10: 1081-1085 (2019) Article DOI: 10.1021/acsmedchemlett.9b00219 BindingDB Entry DOI: 10.7270/Q2RF5ZCB
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50515377 (CHEMBL4524299) Show SMILES COc1cc2c(OC[C@@H]3CCC(=O)N3)ncc(C#CCOCCOCCOCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(cc3)-c3scnc3C)C(C)(C)C)c2cc1C(N)=O |r| Show InChI InChI=1S/C48H59N7O11S/c1-29-42(67-28-52-29)31-10-8-30(9-11-31)24-50-45(60)38-21-34(56)26-55(38)47(61)43(48(2,3)4)54-41(58)14-16-64-18-20-65-19-17-63-15-6-7-32-25-51-46(66-27-33-12-13-40(57)53-33)36-23-39(62-5)37(44(49)59)22-35(32)36/h8-11,22-23,25,28,33-34,38,43,56H,12-21,24,26-27H2,1-5H3,(H2,49,59)(H,50,60)(H,53,57)(H,54,58)/t33-,34+,38-,43+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.290	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Binding affinity to human IRK4 using myelin basic protein as substrate by [gamma-33P]-ATP assay				ACS Med Chem Lett 10: 1081-1085 (2019) Article DOI: 10.1021/acsmedchemlett.9b00219 BindingDB Entry DOI: 10.7270/Q2RF5ZCB
					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))	BDBM50573157 (CHEMBL4850297) Show SMILES COc1ncc(cc1S(=O)(=O)Nc1cncc(c1)-c1ccc(CN2CCN(CC2)C(C)C)cc1)C1=CCOCC1 |t:38| 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	0.316	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human N-terminal His6-tagged full length P110delta/full length untagged human p85alpha expressed in baculovirus infected Sf...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01102 BindingDB Entry DOI: 10.7270/Q2N87FKX
					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))	BDBM50573166 (CHEMBL4869783) Show SMILES COc1ncc(cc1S(=O)(=O)Nc1cncc(c1)-c1ccc(CN2C[C@H](C)O[C@H](C)C2)cc1)C1=CCOCC1 |r,t:37| 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	0.398	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human N-terminal His6-tagged full length P110delta/full length untagged human p85alpha expressed in baculovirus infected Sf...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01102 BindingDB Entry DOI: 10.7270/Q2N87FKX
					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))	BDBM50573167 (CHEMBL4858875) Show SMILES COc1ncc(cc1S(=O)(=O)Nc1cncc(c1)-c1ccc(CN2C[C@H](C)N(C)[C@H](C)C2)cc1)C1=CCOCC1 |r,t:38| 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	0.501	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human N-terminal His6-tagged full length P110delta/full length untagged human p85alpha expressed in baculovirus infected Sf...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01102 BindingDB Entry DOI: 10.7270/Q2N87FKX
					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))	BDBM50573182 (CHEMBL4175571) Show SMILES COc1ncc(cc1S(=O)(=O)Nc1ccnc(c1)-c1ccc(CN2CCN(CC2)C(C)(C)C)cc1F)N1CCOCC1 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	0.794	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human N-terminal His6-tagged full length P110delta/full length untagged human p85alpha expressed in baculovirus infected Sf...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01102 BindingDB Entry DOI: 10.7270/Q2N87FKX
					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))	BDBM50573177 (CHEMBL4167702) Show SMILES COc1ncc(cc1S(=O)(=O)Nc1ccnc(c1)-c1ccc(CN2CCN(CC2)C(C)C)cc1F)N1CCOCC1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	0.794	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human N-terminal His6-tagged full length P110delta/full length untagged human p85alpha expressed in baculovirus infected Sf...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01102 BindingDB Entry DOI: 10.7270/Q2N87FKX
					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))	BDBM50573181 (CHEMBL4165185) Show SMILES COc1ncc(cc1S(=O)(=O)Nc1ccnc(c1)-c1ccc(CN2CCN(CC2)C(C)(C)C)cc1)N1CCOCC1 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	0.794	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human N-terminal His6-tagged full length P110delta/full length untagged human p85alpha expressed in baculovirus infected Sf...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01102 BindingDB Entry DOI: 10.7270/Q2N87FKX
					More data for this Ligand-Target Pair

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