Compile Data Set for Download or QSAR

Found 89 hits with Last Name = 'pirali' and Initial = 't'   

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
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50126143 (Epacadostat | INCB-024360) Show SMILES NS(=O)(=O)NCCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O Show InChI InChI=1S/C11H13BrFN7O4S/c12-7-5-6(1-2-8(7)13)17-11(18-21)9-10(20-24-19-9)15-3-4-16-25(14,22)23/h1-2,5,16,21H,3-4H2,(H,15,20)(H,17,18)(H2,14,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	7.70	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of IDO1 in IFNgamma-stimulated human A375 cells assessed as reduction in L-Kyn level measured after 48 hrs by HPLC analysis				J Med Chem 63: 3047-3065 (2020) Article DOI: 10.1021/acs.jmedchem.9b01809 BindingDB Entry DOI: 10.7270/Q29K4FKS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Indoleamine 2,3-dioxygenase 1 (Mus musculus)	BDBM50514760 (CHEMBL4448402) Show SMILES O=C(NCc1cccc(Cn2cnc3ccccc23)c1)c1cc2ccccc2[nH]1 Show InChI InChI=1S/C24H20N4O/c29-24(22-13-19-8-1-2-9-20(19)27-22)25-14-17-6-5-7-18(12-17)15-28-16-26-21-10-3-4-11-23(21)28/h1-13,16,27H,14-15H2,(H,25,29)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.30	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of mouse IDO1 transfected in P815 cells assessed as reduction in L-Kyn level measured after 16 hrs by HPLC analysis				J Med Chem 63: 3047-3065 (2020) Article DOI: 10.1021/acs.jmedchem.9b01809 BindingDB Entry DOI: 10.7270/Q29K4FKS
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50126143 (Epacadostat | INCB-024360) Show SMILES NS(=O)(=O)NCCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O Show InChI InChI=1S/C11H13BrFN7O4S/c12-7-5-6(1-2-8(7)13)17-11(18-21)9-10(20-24-19-9)15-3-4-16-25(14,22)23/h1-2,5,16,21H,3-4H2,(H,15,20)(H,17,18)(H2,14,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of human recombinant IDO1 assessed as reduction in kynurenine production using L-tryptophan incubated for 60 mins by Ehrlich's reagent bas...				Bioorg Med Chem Lett 28: 651-657 (2018) Article DOI: 10.1016/j.bmcl.2018.01.032 BindingDB Entry DOI: 10.7270/Q24T6MZD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Indoleamine 2,3-dioxygenase 1 (Mus musculus)	BDBM50514753 (CHEMBL4557994) Show SMILES Brc1c[nH]c(c1)C(=O)NCc1cccc(Cn2cnc3ccccc23)c1 Show InChI InChI=1S/C20H17BrN4O/c21-16-9-18(22-11-16)20(26)23-10-14-4-3-5-15(8-14)12-25-13-24-17-6-1-2-7-19(17)25/h1-9,11,13,22H,10,12H2,(H,23,26)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of mouse IDO1 transfected in P815 cells assessed as reduction in L-Kyn level measured after 16 hrs by HPLC analysis				J Med Chem 63: 3047-3065 (2020) Article DOI: 10.1021/acs.jmedchem.9b01809 BindingDB Entry DOI: 10.7270/Q29K4FKS
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50514753 (CHEMBL4557994) Show SMILES Brc1c[nH]c(c1)C(=O)NCc1cccc(Cn2cnc3ccccc23)c1 Show InChI InChI=1S/C20H17BrN4O/c21-16-9-18(22-11-16)20(26)23-10-14-4-3-5-15(8-14)12-25-13-24-17-6-1-2-7-19(17)25/h1-9,11,13,22H,10,12H2,(H,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of IDO1 in IFNgamma-stimulated human LXF-289 cells assessed as reduction in L-Kyn level measured after 48 hrs by HPLC analysis				J Med Chem 63: 3047-3065 (2020) Article DOI: 10.1021/acs.jmedchem.9b01809 BindingDB Entry DOI: 10.7270/Q29K4FKS
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50514753 (CHEMBL4557994) Show SMILES Brc1c[nH]c(c1)C(=O)NCc1cccc(Cn2cnc3ccccc23)c1 Show InChI InChI=1S/C20H17BrN4O/c21-16-9-18(22-11-16)20(26)23-10-14-4-3-5-15(8-14)12-25-13-24-17-6-1-2-7-19(17)25/h1-9,11,13,22H,10,12H2,(H,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of IDO1 in IFNgamma-stimulated human A375 cells assessed as reduction in L-Kyn level measured after 48 hrs by HPLC analysis				J Med Chem 63: 3047-3065 (2020) Article DOI: 10.1021/acs.jmedchem.9b01809 BindingDB Entry DOI: 10.7270/Q29K4FKS
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50514759 (CHEMBL4571131) Show SMILES Brc1c[nH]c(c1)C(=O)NCc1cccc(Cn2cnc3ccc(Br)cc23)c1 Show InChI InChI=1S/C20H16Br2N4O/c21-15-4-5-17-19(8-15)26(12-25-17)11-14-3-1-2-13(6-14)9-24-20(27)18-7-16(22)10-23-18/h1-8,10,12,23H,9,11H2,(H,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of IDO1 in IFNgamma-stimulated human A375 cells assessed as reduction in L-Kyn level measured after 48 hrs by HPLC analysis				J Med Chem 63: 3047-3065 (2020) Article DOI: 10.1021/acs.jmedchem.9b01809 BindingDB Entry DOI: 10.7270/Q29K4FKS
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM132093 (US8841288, CL27e) Show SMILES OC(=O)c1cccc(Cn2cc(nn2)-c2cccc3c2[nH]c(cc3=O)N2CCOCC2)c1 Show InChI InChI=1S/C23H21N5O4/c29-20-12-21(27-7-9-32-10-8-27)24-22-17(5-2-6-18(20)22)19-14-28(26-25-19)13-15-3-1-4-16(11-15)23(30)31/h1-6,11-12,14H,7-10,13H2,(H,24,29)(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	25
Universtà Degli Studi di Torino; Università Degli Studi del Piemonte Orientale “Amedeo Avogadro” US Patent					Assay Description Some compounds of formula (I) described herein were assayed in vitro for their ability to inhibit the lipid kinase activity of PI3Ks, by using a non-...				US Patent US8841288 (2014) BindingDB Entry DOI: 10.7270/Q2RJ4H5X
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50514753 (CHEMBL4557994) Show SMILES Brc1c[nH]c(c1)C(=O)NCc1cccc(Cn2cnc3ccccc23)c1 Show InChI InChI=1S/C20H17BrN4O/c21-16-9-18(22-11-16)20(26)23-10-14-4-3-5-15(8-14)12-25-13-24-17-6-1-2-7-19(17)25/h1-9,11,13,22H,10,12H2,(H,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of IDO1 in IFNgamma-stimulated human MCF7 cells assessed as reduction in L-Kyn level measured after 48 hrs by HPLC analysis				J Med Chem 63: 3047-3065 (2020) Article DOI: 10.1021/acs.jmedchem.9b01809 BindingDB Entry DOI: 10.7270/Q29K4FKS
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50514753 (CHEMBL4557994) Show SMILES Brc1c[nH]c(c1)C(=O)NCc1cccc(Cn2cnc3ccccc23)c1 Show InChI InChI=1S/C20H17BrN4O/c21-16-9-18(22-11-16)20(26)23-10-14-4-3-5-15(8-14)12-25-13-24-17-6-1-2-7-19(17)25/h1-9,11,13,22H,10,12H2,(H,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of IDO1 in IFNgamma-stimulated human HepG2 cells assessed as reduction in L-Kyn level measured after 48 hrs by HPLC analysis				J Med Chem 63: 3047-3065 (2020) Article DOI: 10.1021/acs.jmedchem.9b01809 BindingDB Entry DOI: 10.7270/Q29K4FKS
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50514753 (CHEMBL4557994) Show SMILES Brc1c[nH]c(c1)C(=O)NCc1cccc(Cn2cnc3ccccc23)c1 Show InChI InChI=1S/C20H17BrN4O/c21-16-9-18(22-11-16)20(26)23-10-14-4-3-5-15(8-14)12-25-13-24-17-6-1-2-7-19(17)25/h1-9,11,13,22H,10,12H2,(H,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of IDO1 in IFNgamma-stimulated human HeLa cells assessed as reduction in L-Kyn level measured after 48 hrs by HPLC analysis				J Med Chem 63: 3047-3065 (2020) Article DOI: 10.1021/acs.jmedchem.9b01809 BindingDB Entry DOI: 10.7270/Q29K4FKS
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50514760 (CHEMBL4448402) Show SMILES O=C(NCc1cccc(Cn2cnc3ccccc23)c1)c1cc2ccccc2[nH]1 Show InChI InChI=1S/C24H20N4O/c29-24(22-13-19-8-1-2-9-20(19)27-22)25-14-17-6-5-7-18(12-17)15-28-16-26-21-10-3-4-11-23(21)28/h1-13,16,27H,14-15H2,(H,25,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of IDO1 in IFNgamma-stimulated human A375 cells assessed as reduction in L-Kyn level measured after 48 hrs by HPLC analysis				J Med Chem 63: 3047-3065 (2020) Article DOI: 10.1021/acs.jmedchem.9b01809 BindingDB Entry DOI: 10.7270/Q29K4FKS
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50514760 (CHEMBL4448402) Show SMILES O=C(NCc1cccc(Cn2cnc3ccccc23)c1)c1cc2ccccc2[nH]1 Show InChI InChI=1S/C24H20N4O/c29-24(22-13-19-8-1-2-9-20(19)27-22)25-14-17-6-5-7-18(12-17)15-28-16-26-21-10-3-4-11-23(21)28/h1-13,16,27H,14-15H2,(H,25,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of IDO1 in IFNgamma-stimulated human HeLa cells assessed as reduction in L-Kyn level measured after 48 hrs by HPLC analysis				J Med Chem 63: 3047-3065 (2020) Article DOI: 10.1021/acs.jmedchem.9b01809 BindingDB Entry DOI: 10.7270/Q29K4FKS
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50030792 (CHEMBL3342401) Show SMILES Brc1ccc(cc1)-c1csc2ncc(CNC(=O)Nc3ccc(cc3)C#N)n12 Show InChI InChI=1S/C20H14BrN5OS/c21-15-5-3-14(4-6-15)18-12-28-20-24-11-17(26(18)20)10-23-19(27)25-16-7-1-13(9-22)2-8-16/h1-8,11-12H,10H2,(H2,23,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of human recombinant IDO1 assessed as reduction in kynurenine production using L-tryptophan incubated for 60 mins by Ehrlich's reagent bas...				Bioorg Med Chem Lett 28: 651-657 (2018) Article DOI: 10.1016/j.bmcl.2018.01.032 BindingDB Entry DOI: 10.7270/Q24T6MZD
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50514760 (CHEMBL4448402) Show SMILES O=C(NCc1cccc(Cn2cnc3ccccc23)c1)c1cc2ccccc2[nH]1 Show InChI InChI=1S/C24H20N4O/c29-24(22-13-19-8-1-2-9-20(19)27-22)25-14-17-6-5-7-18(12-17)15-28-16-26-21-10-3-4-11-23(21)28/h1-13,16,27H,14-15H2,(H,25,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	83	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of IDO1 in IFNgamma-stimulated human MCF7 cells assessed as reduction in L-Kyn level measured after 48 hrs by HPLC analysis				J Med Chem 63: 3047-3065 (2020) Article DOI: 10.1021/acs.jmedchem.9b01809 BindingDB Entry DOI: 10.7270/Q29K4FKS
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50514752 (CHEMBL4458549) Show SMILES O=C(NCc1cccc(Cn2cnc3ccccc23)c1)c1ccc(cc1)C#N Show InChI InChI=1S/C23H18N4O/c24-13-17-8-10-20(11-9-17)23(28)25-14-18-4-3-5-19(12-18)15-27-16-26-21-6-1-2-7-22(21)27/h1-12,16H,14-15H2,(H,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of IDO1 in IFNgamma-stimulated human A375 cells assessed as reduction in L-Kyn level measured after 48 hrs by HPLC analysis				J Med Chem 63: 3047-3065 (2020) Article DOI: 10.1021/acs.jmedchem.9b01809 BindingDB Entry DOI: 10.7270/Q29K4FKS
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50461837 (CHEMBL4226608) Show SMILES [#6]-[#8]-c1cc(-[#6]-[#7]-[#6](=O)-[#6]-[#8]-[#6](=O)\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(I)cc1-[#8] Show InChI InChI=1S/C20H26INO5/c1-13(2)6-5-7-14(3)8-20(25)27-12-19(24)22-11-15-9-18(26-4)17(23)10-16(15)21/h6,8-10,23H,5,7,11-12H2,1-4H3,(H,22,24)/b14-8+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Antagonist activity at TRPV1 (unknown origin) expressed in human SH-SY5Y cells assessed as inhibition of capsaicin-induced calcium increase after 25 ...				J Med Chem 61: 4436-4455 (2018) Article DOI: 10.1021/acs.jmedchem.8b00109 BindingDB Entry DOI: 10.7270/Q2PK0JSM
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50514752 (CHEMBL4458549) Show SMILES O=C(NCc1cccc(Cn2cnc3ccccc23)c1)c1ccc(cc1)C#N Show InChI InChI=1S/C23H18N4O/c24-13-17-8-10-20(11-9-17)23(28)25-14-18-4-3-5-19(12-18)15-27-16-26-21-6-1-2-7-22(21)27/h1-12,16H,14-15H2,(H,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of IDO1 in IFNgamma-stimulated human HeLa cells assessed as reduction in L-Kyn level measured after 48 hrs by HPLC analysis				J Med Chem 63: 3047-3065 (2020) Article DOI: 10.1021/acs.jmedchem.9b01809 BindingDB Entry DOI: 10.7270/Q29K4FKS
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM132092 (US8841288, CL12) Show SMILES O=c1cc([nH]c2c(cccc12)-c1cn(nn1)-c1ccc(CC#N)cc1)N1CCOCC1 Show InChI InChI=1S/C23H20N6O2/c24-9-8-16-4-6-17(7-5-16)29-15-20(26-27-29)18-2-1-3-19-21(30)14-22(25-23(18)19)28-10-12-31-13-11-28/h1-7,14-15H,8,10-13H2,(H,25,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	US Patent	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	25
Universtà Degli Studi di Torino; Università Degli Studi del Piemonte Orientale “Amedeo Avogadro” US Patent					Assay Description Some compounds of formula (I) described herein were assayed in vitro for their ability to inhibit the lipid kinase activity of PI3Ks, by using a non-...				US Patent US8841288 (2014) BindingDB Entry DOI: 10.7270/Q2RJ4H5X
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM132097 (US8841288, CL 64a) Show SMILES OC(=O)CCCCn1cc(nn1)-c1cccc2c1[nH]c(cc2=O)N1CCOCC1 Show InChI InChI=1S/C20H23N5O4/c26-17-12-18(24-8-10-29-11-9-24)21-20-14(4-3-5-15(17)20)16-13-25(23-22-16)7-2-1-6-19(27)28/h3-5,12-13H,1-2,6-11H2,(H,21,26)(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	25
Universtà Degli Studi di Torino; Università Degli Studi del Piemonte Orientale “Amedeo Avogadro” US Patent					Assay Description Some compounds of formula (I) described herein were assayed in vitro for their ability to inhibit the lipid kinase activity of PI3Ks, by using a non-...				US Patent US8841288 (2014) BindingDB Entry DOI: 10.7270/Q2RJ4H5X
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM132096 (US8841288, CL55b) Show SMILES OC(=O)c1cccc(c1)-n1cc(nn1)-c1cccc2c1[nH]c(cc2=O)N1CCOCC1 Show InChI InChI=1S/C22H19N5O4/c28-19-12-20(26-7-9-31-10-8-26)23-21-16(5-2-6-17(19)21)18-13-27(25-24-18)15-4-1-3-14(11-15)22(29)30/h1-6,11-13H,7-10H2,(H,23,28)(H,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	25
Universtà Degli Studi di Torino; Università Degli Studi del Piemonte Orientale “Amedeo Avogadro” US Patent					Assay Description Some compounds of formula (I) described herein were assayed in vitro for their ability to inhibit the lipid kinase activity of PI3Ks, by using a non-...				US Patent US8841288 (2014) BindingDB Entry DOI: 10.7270/Q2RJ4H5X
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM132095 (US8841288, CL55a) Show SMILES OC(=O)CCCn1cc(nn1)-c1cccc2c1[nH]c(cc2=O)N1CCOCC1 Show InChI InChI=1S/C19H21N5O4/c25-16-11-17(23-7-9-28-10-8-23)20-19-13(3-1-4-14(16)19)15-12-24(22-21-15)6-2-5-18(26)27/h1,3-4,11-12H,2,5-10H2,(H,20,25)(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	25
Universtà Degli Studi di Torino; Università Degli Studi del Piemonte Orientale “Amedeo Avogadro” US Patent					Assay Description Some compounds of formula (I) described herein were assayed in vitro for their ability to inhibit the lipid kinase activity of PI3Ks, by using a non-...				US Patent US8841288 (2014) BindingDB Entry DOI: 10.7270/Q2RJ4H5X
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50514752 (CHEMBL4458549) Show SMILES O=C(NCc1cccc(Cn2cnc3ccccc23)c1)c1ccc(cc1)C#N Show InChI InChI=1S/C23H18N4O/c24-13-17-8-10-20(11-9-17)23(28)25-14-18-4-3-5-19(12-18)15-27-16-26-21-6-1-2-7-22(21)27/h1-12,16H,14-15H2,(H,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of IDO1 in IFNgamma-stimulated human MCF7 cells assessed as reduction in L-Kyn level measured after 48 hrs by HPLC analysis				J Med Chem 63: 3047-3065 (2020) Article DOI: 10.1021/acs.jmedchem.9b01809 BindingDB Entry DOI: 10.7270/Q29K4FKS
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Mus musculus)	BDBM50514752 (CHEMBL4458549) Show SMILES O=C(NCc1cccc(Cn2cnc3ccccc23)c1)c1ccc(cc1)C#N Show InChI InChI=1S/C23H18N4O/c24-13-17-8-10-20(11-9-17)23(28)25-14-18-4-3-5-19(12-18)15-27-16-26-21-6-1-2-7-22(21)27/h1-12,16H,14-15H2,(H,25,28)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	112	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of mouse IDO1 transfected in P815 cells assessed as reduction in L-Kyn level measured after 16 hrs by HPLC analysis				J Med Chem 63: 3047-3065 (2020) Article DOI: 10.1021/acs.jmedchem.9b01809 BindingDB Entry DOI: 10.7270/Q29K4FKS
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50514757 (CHEMBL4466117) Show SMILES Brc1ccc(cc1)C(=O)NCc1cccc(Cn2cnc3ccccc23)c1 Show InChI InChI=1S/C22H18BrN3O/c23-19-10-8-18(9-11-19)22(27)24-13-16-4-3-5-17(12-16)14-26-15-25-20-6-1-2-7-21(20)26/h1-12,15H,13-14H2,(H,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	134	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of IDO1 in IFNgamma-stimulated human A375 cells assessed as reduction in L-Kyn level measured after 48 hrs by HPLC analysis				J Med Chem 63: 3047-3065 (2020) Article DOI: 10.1021/acs.jmedchem.9b01809 BindingDB Entry DOI: 10.7270/Q29K4FKS
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM132098 (US8841288, CL 129A) Show SMILES O=C(NCc1ccccc1)c1cccc(Cn2cc(nn2)-c2cccc3c2[nH]c(cc3=O)N2CCOCC2)c1 Show InChI InChI=1S/C30H28N6O3/c37-27-17-28(35-12-14-39-15-13-35)32-29-24(10-5-11-25(27)29)26-20-36(34-33-26)19-22-8-4-9-23(16-22)30(38)31-18-21-6-2-1-3-7-21/h1-11,16-17,20H,12-15,18-19H2,(H,31,38)(H,32,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	25
Universtà Degli Studi di Torino; Università Degli Studi del Piemonte Orientale “Amedeo Avogadro” US Patent					Assay Description Some compounds of formula (I) described herein were assayed in vitro for their ability to inhibit the lipid kinase activity of PI3Ks, by using a non-...				US Patent US8841288 (2014) BindingDB Entry DOI: 10.7270/Q2RJ4H5X
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50514760 (CHEMBL4448402) Show SMILES O=C(NCc1cccc(Cn2cnc3ccccc23)c1)c1cc2ccccc2[nH]1 Show InChI InChI=1S/C24H20N4O/c29-24(22-13-19-8-1-2-9-20(19)27-22)25-14-17-6-5-7-18(12-17)15-28-16-26-21-10-3-4-11-23(21)28/h1-13,16,27H,14-15H2,(H,25,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of IDO1 in IFNgamma-stimulated human DAN-G cells assessed as reduction in L-Kyn level measured after 48 hrs by HPLC analysis				J Med Chem 63: 3047-3065 (2020) Article DOI: 10.1021/acs.jmedchem.9b01809 BindingDB Entry DOI: 10.7270/Q29K4FKS
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50454819 (CHEMBL4208781) Show SMILES Oc1ccc(CC(=O)OCC(=O)NCc2cnc3scc(-c4ccc(Br)cc4)n23)cc1 Show InChI InChI=1S/C22H18BrN3O4S/c23-16-5-3-15(4-6-16)19-13-31-22-25-11-17(26(19)22)10-24-20(28)12-30-21(29)9-14-1-7-18(27)8-2-14/h1-8,11,13,27H,9-10,12H2,(H,24,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of human recombinant IDO1 assessed as reduction in kynurenine production using L-tryptophan incubated for 60 mins by Ehrlich's reagent bas...				Bioorg Med Chem Lett 28: 651-657 (2018) Article DOI: 10.1016/j.bmcl.2018.01.032 BindingDB Entry DOI: 10.7270/Q24T6MZD
					More data for this Ligand-Target Pair
Calcium release-activated calcium channel protein/Stromal interaction molecule 1 (Homo sapiens (Human))	BDBM50549365 (CHEMBL3403742) Show SMILES COc1ccc(OC)c(c1)-c1ccc(NC(=O)c2ccncc2F)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	228	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of STIM1/Orai1 (unknown origin) expressed in HEK293 cells assessed as reduction in tBHQ-induced calcium response				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01305 BindingDB Entry DOI: 10.7270/Q2HH6PPZ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM132091 (US8841288, CL5) Show SMILES O=c1cc([nH]c2c(cccc12)-c1cn(Cc2ccccc2)nn1)N1CCOCC1 Show InChI InChI=1S/C22H21N5O2/c28-20-13-21(26-9-11-29-12-10-26)23-22-17(7-4-8-18(20)22)19-15-27(25-24-19)14-16-5-2-1-3-6-16/h1-8,13,15H,9-12,14H2,(H,23,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	25
Universtà Degli Studi di Torino; Università Degli Studi del Piemonte Orientale “Amedeo Avogadro” US Patent					Assay Description Some compounds of formula (I) described herein were assayed in vitro for their ability to inhibit the lipid kinase activity of PI3Ks, by using a non-...				US Patent US8841288 (2014) BindingDB Entry DOI: 10.7270/Q2RJ4H5X
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM132089 (US8841288, TP714) Show SMILES Oc1ccccc1-n1cc(nn1)-c1cccc2c1[nH]c(cc2=O)N1CCOCC1 Show InChI InChI=1S/C21H19N5O3/c27-18-7-2-1-6-17(18)26-13-16(23-24-26)14-4-3-5-15-19(28)12-20(22-21(14)15)25-8-10-29-11-9-25/h1-7,12-13,27H,8-11H2,(H,22,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	25
Universtà Degli Studi di Torino; Università Degli Studi del Piemonte Orientale “Amedeo Avogadro” US Patent					Assay Description Some compounds of formula (I) described herein were assayed in vitro for their ability to inhibit the lipid kinase activity of PI3Ks, by using a non-...				US Patent US8841288 (2014) BindingDB Entry DOI: 10.7270/Q2RJ4H5X
					More data for this Ligand-Target Pair
Short transient receptor potential channel 1 (Homo sapiens)	BDBM50450630 (CHEMBL101896) Show SMILES Fc1cnccc1C(=O)Nc1ccc(cc1)-n1nc(cc1C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C17H9F7N4O/c18-12-8-25-6-5-11(12)15(29)26-9-1-3-10(4-2-9)28-14(17(22,23)24)7-13(27-28)16(19,20)21/h1-8H,(H,26,29)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Modulation of TRPC1/TRPC3/STIM1/Orai1 in HEK cells assessed as induction of store-operated calcium entry by measuring residual activity preincubated ...				J Med Chem 61: 9756-9783 (2018) Article DOI: 10.1021/acs.jmedchem.8b01512 BindingDB Entry DOI: 10.7270/Q2QV3Q2G
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM132094 (US8841288, CL29a) Show SMILES OC(=O)c1ccc(cc1)-n1cc(nn1)-c1cccc2c1[nH]c(cc2=O)N1CCOCC1 Show InChI InChI=1S/C22H19N5O4/c28-19-12-20(26-8-10-31-11-9-26)23-21-16(2-1-3-17(19)21)18-13-27(25-24-18)15-6-4-14(5-7-15)22(29)30/h1-7,12-13H,8-11H2,(H,23,28)(H,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	25
Universtà Degli Studi di Torino; Università Degli Studi del Piemonte Orientale “Amedeo Avogadro” US Patent					Assay Description Some compounds of formula (I) described herein were assayed in vitro for their ability to inhibit the lipid kinase activity of PI3Ks, by using a non-...				US Patent US8841288 (2014) BindingDB Entry DOI: 10.7270/Q2RJ4H5X
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50514762 (CHEMBL4531545) Show SMILES Cc1ccc(cc1)C(=O)NCc1cccc(Cn2cnc3ccccc23)c1 Show InChI InChI=1S/C23H21N3O/c1-17-9-11-20(12-10-17)23(27)24-14-18-5-4-6-19(13-18)15-26-16-25-21-7-2-3-8-22(21)26/h2-13,16H,14-15H2,1H3,(H,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	327	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of IDO1 in IFNgamma-stimulated human A375 cells assessed as reduction in L-Kyn level measured after 48 hrs by HPLC analysis				J Med Chem 63: 3047-3065 (2020) Article DOI: 10.1021/acs.jmedchem.9b01809 BindingDB Entry DOI: 10.7270/Q29K4FKS
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50454818 (CHEMBL4206526) Show SMILES Brc1ccc(cc1)-c1csc2ncc(CNC(=O)COC(=O)Cc3ccc(cc3)C#N)n12 Show InChI InChI=1S/C23H17BrN4O3S/c24-18-7-5-17(6-8-18)20-14-32-23-27-12-19(28(20)23)11-26-21(29)13-31-22(30)9-15-1-3-16(10-25)4-2-15/h1-8,12,14H,9,11,13H2,(H,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of human recombinant IDO1 assessed as reduction in kynurenine production using L-tryptophan incubated for 60 mins by Ehrlich's reagent bas...				Bioorg Med Chem Lett 28: 651-657 (2018) Article DOI: 10.1016/j.bmcl.2018.01.032 BindingDB Entry DOI: 10.7270/Q24T6MZD
					More data for this Ligand-Target Pair
Calcium release-activated calcium channel protein/Stromal interaction molecule 1 (Homo sapiens (Human))	BDBM50549358 (CHEMBL4753023) Show SMILES COc1ccc(F)c(c1)-c1ccc(cc1)-n1cc(nn1)-c1cccc(c1)C(O)=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	361	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of STIM1/Orai1 (unknown origin) expressed in HEK293 cells assessed as reduction in tBHQ-induced calcium response				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01305 BindingDB Entry DOI: 10.7270/Q2HH6PPZ
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50514761 (CHEMBL4472707) Show SMILES O=C(NCc1cccc(Cn2cnc3ccccc23)c1)c1nc2ccccc2[nH]1 Show InChI InChI=1S/C23H19N5O/c29-23(22-26-18-8-1-2-9-19(18)27-22)24-13-16-6-5-7-17(12-16)14-28-15-25-20-10-3-4-11-21(20)28/h1-12,15H,13-14H2,(H,24,29)(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	407	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of IDO1 in IFNgamma-stimulated human A375 cells assessed as reduction in L-Kyn level measured after 48 hrs by HPLC analysis				J Med Chem 63: 3047-3065 (2020) Article DOI: 10.1021/acs.jmedchem.9b01809 BindingDB Entry DOI: 10.7270/Q29K4FKS
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50514754 (CHEMBL4588288) Show SMILES O=C(NCc1cccc(Cn2cnc3ccccc23)c1)c1cc2ccccc2o1 Show InChI InChI=1S/C24H19N3O2/c28-24(23-13-19-8-1-4-11-22(19)29-23)25-14-17-6-5-7-18(12-17)15-27-16-26-20-9-2-3-10-21(20)27/h1-13,16H,14-15H2,(H,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	413	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of IDO1 in IFNgamma-stimulated human A375 cells assessed as reduction in L-Kyn level measured after 48 hrs by HPLC analysis				J Med Chem 63: 3047-3065 (2020) Article DOI: 10.1021/acs.jmedchem.9b01809 BindingDB Entry DOI: 10.7270/Q29K4FKS
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50454816 (CHEMBL4210198) Show SMILES CN(CC(=O)NCc1cnc2scc(-c3ccc(Br)cc3)n12)C(=O)Cc1cccc(O)c1 Show InChI InChI=1S/C23H21BrN4O3S/c1-27(22(31)10-15-3-2-4-19(29)9-15)13-21(30)25-11-18-12-26-23-28(18)20(14-32-23)16-5-7-17(24)8-6-16/h2-9,12,14,29H,10-11,13H2,1H3,(H,25,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of human recombinant IDO1 assessed as reduction in kynurenine production using L-tryptophan incubated for 60 mins by Ehrlich's reagent bas...				Bioorg Med Chem Lett 28: 651-657 (2018) Article DOI: 10.1016/j.bmcl.2018.01.032 BindingDB Entry DOI: 10.7270/Q24T6MZD
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50514758 (CHEMBL4451614) Show SMILES Clc1ccc(cc1)C(=O)NCc1cccc(Cn2cnc3ccccc23)c1 Show InChI InChI=1S/C22H18ClN3O/c23-19-10-8-18(9-11-19)22(27)24-13-16-4-3-5-17(12-16)14-26-15-25-20-6-1-2-7-21(20)26/h1-12,15H,13-14H2,(H,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	477	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of IDO1 in IFNgamma-stimulated human A375 cells assessed as reduction in L-Kyn level measured after 48 hrs by HPLC analysis				J Med Chem 63: 3047-3065 (2020) Article DOI: 10.1021/acs.jmedchem.9b01809 BindingDB Entry DOI: 10.7270/Q29K4FKS
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi del Piemonte Orientale A. Avogadro Curated by ChEMBL					Assay Description Inhibition of HDAC in human SHSY5Y cells by fluorimetric cellular activity assay				J Med Chem 52: 2776-85 (2009) Article DOI: 10.1021/jm801529c BindingDB Entry DOI: 10.7270/Q2D221F1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Short transient receptor potential channel 1 (Homo sapiens)	BDBM50450629 (CHEMBL4177187) Show SMILES [#6]-[#6]-[#8]-[#6](=O)-c1cnn(c1C(F)(F)F)-c1ccc(-[#7]-[#6](=O)-[#6](\Cl)=[#6](/Cl)Cl)cc1 Show InChI InChI=1S/C16H11Cl3F3N3O3/c1-2-28-15(27)10-7-23-25(12(10)16(20,21)22)9-5-3-8(4-6-9)24-14(26)11(17)13(18)19/h3-7H,2H2,1H3,(H,24,26)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Modulation of TRPC1/TRPC3/STIM1/Orai1 in HEK cells assessed as induction of store-operated calcium entry by measuring residual activity preincubated ...				J Med Chem 61: 9756-9783 (2018) Article DOI: 10.1021/acs.jmedchem.8b01512 BindingDB Entry DOI: 10.7270/Q2QV3Q2G
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50454821 (CHEMBL4209779) Show SMILES Brc1ccc(cc1)-c1csc2ncc(CNC(=O)COC(=O)Cc3ccccc3)n12 Show InChI InChI=1S/C22H18BrN3O3S/c23-17-8-6-16(7-9-17)19-14-30-22-25-12-18(26(19)22)11-24-20(27)13-29-21(28)10-15-4-2-1-3-5-15/h1-9,12,14H,10-11,13H2,(H,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	580	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of human recombinant IDO1 assessed as reduction in kynurenine production using L-tryptophan incubated for 60 mins by Ehrlich's reagent bas...				Bioorg Med Chem Lett 28: 651-657 (2018) Article DOI: 10.1016/j.bmcl.2018.01.032 BindingDB Entry DOI: 10.7270/Q24T6MZD
					More data for this Ligand-Target Pair
Calcium release-activated calcium channel protein 1/Short transient receptor potential channel 1/Short transient receptor potential channel 3/Stromal interaction molecule 1 (Homo sapiens (Human))	BDBM50450626 (CHEMBL4162723) Show SMILES CCOC(=O)c1cnn(c1C(F)(F)F)-c1ccc(cc1)-n1cc(nn1)-c1cccc(c1)C(O)=O Show InChI InChI=1S/C22H16F3N5O4/c1-2-34-21(33)17-11-26-30(19(17)22(23,24)25)16-8-6-15(7-9-16)29-12-18(27-28-29)13-4-3-5-14(10-13)20(31)32/h3-12H,2H2,1H3,(H,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Modulation of TRPC1/TRPC3/STIM1/Orai1 in HEK cells assessed as induction of store-operated calcium entry by measuring residual activity preincubated ...				J Med Chem 61: 9756-9783 (2018) Article DOI: 10.1021/acs.jmedchem.8b01512 BindingDB Entry DOI: 10.7270/Q2QV3Q2G
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50514753 (CHEMBL4557994) Show SMILES Brc1c[nH]c(c1)C(=O)NCc1cccc(Cn2cnc3ccccc23)c1 Show InChI InChI=1S/C20H17BrN4O/c21-16-9-18(22-11-16)20(26)23-10-14-4-3-5-15(8-14)12-25-13-24-17-6-1-2-7-19(17)25/h1-9,11,13,22H,10,12H2,(H,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	605	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of IDO1 in IFNgamma-stimulated human DAN-G cells assessed as reduction in L-Kyn level measured after 48 hrs by HPLC analysis				J Med Chem 63: 3047-3065 (2020) Article DOI: 10.1021/acs.jmedchem.9b01809 BindingDB Entry DOI: 10.7270/Q29K4FKS
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50454820 (CHEMBL4214662) Show SMILES CN(CC(=O)NCc1cnc2scc(-c3ccc(Br)cc3)n12)C(=O)Cc1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C23H20BrN5O4S/c1-27(22(31)10-15-3-2-4-18(9-15)29(32)33)13-21(30)25-11-19-12-26-23-28(19)20(14-34-23)16-5-7-17(24)8-6-16/h2-9,12,14H,10-11,13H2,1H3,(H,25,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of human recombinant IDO1 assessed as reduction in kynurenine production using L-tryptophan incubated for 60 mins by Ehrlich's reagent bas...				Bioorg Med Chem Lett 28: 651-657 (2018) Article DOI: 10.1016/j.bmcl.2018.01.032 BindingDB Entry DOI: 10.7270/Q24T6MZD
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50514755 (CHEMBL4443904) Show SMILES Cc1ccc2[nH]c(cc2c1)C(=O)NCc1cccc(Cn2cnc3ccccc23)c1 Show InChI InChI=1S/C25H22N4O/c1-17-9-10-21-20(11-17)13-23(28-21)25(30)26-14-18-5-4-6-19(12-18)15-29-16-27-22-7-2-3-8-24(22)29/h2-13,16,28H,14-15H2,1H3,(H,26,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	636	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of IDO1 in IFNgamma-stimulated human A375 cells assessed as reduction in L-Kyn level measured after 48 hrs by HPLC analysis				J Med Chem 63: 3047-3065 (2020) Article DOI: 10.1021/acs.jmedchem.9b01809 BindingDB Entry DOI: 10.7270/Q29K4FKS
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50454815 (CHEMBL4218468) Show SMILES CN(CC(=O)NCc1cnc2scc(-c3ccc(Br)cc3)n12)C(=O)Cc1ccccc1 Show InChI InChI=1S/C23H21BrN4O2S/c1-27(22(30)11-16-5-3-2-4-6-16)14-21(29)25-12-19-13-26-23-28(19)20(15-31-23)17-7-9-18(24)10-8-17/h2-10,13,15H,11-12,14H2,1H3,(H,25,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	690	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of human recombinant IDO1 assessed as reduction in kynurenine production using L-tryptophan incubated for 60 mins by Ehrlich's reagent bas...				Bioorg Med Chem Lett 28: 651-657 (2018) Article DOI: 10.1016/j.bmcl.2018.01.032 BindingDB Entry DOI: 10.7270/Q24T6MZD
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50454814 (CHEMBL4214873) Show SMILES CN(CC(=O)NCc1cnc2scc(-c3ccc(Br)cc3)n12)C(=O)Cc1ccccc1[N+]([O-])=O Show InChI InChI=1S/C23H20BrN5O4S/c1-27(22(31)10-16-4-2-3-5-19(16)29(32)33)13-21(30)25-11-18-12-26-23-28(18)20(14-34-23)15-6-8-17(24)9-7-15/h2-9,12,14H,10-11,13H2,1H3,(H,25,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	730	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of human recombinant IDO1 assessed as reduction in kynurenine production using L-tryptophan incubated for 60 mins by Ehrlich's reagent bas...				Bioorg Med Chem Lett 28: 651-657 (2018) Article DOI: 10.1016/j.bmcl.2018.01.032 BindingDB Entry DOI: 10.7270/Q24T6MZD
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM132090 (US8841288, CL1) Show SMILES O=c1cc([nH]c2c(cccc12)-c1cn(nn1)-c1ccccc1)N1CCOCC1 Show InChI InChI=1S/C21H19N5O2/c27-19-13-20(25-9-11-28-12-10-25)22-21-16(7-4-8-17(19)21)18-14-26(24-23-18)15-5-2-1-3-6-15/h1-8,13-14H,9-12H2,(H,22,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	730	n/a	n/a	n/a	n/a	n/a	25
Universtà Degli Studi di Torino; Università Degli Studi del Piemonte Orientale “Amedeo Avogadro” US Patent					Assay Description Some compounds of formula (I) described herein were assayed in vitro for their ability to inhibit the lipid kinase activity of PI3Ks, by using a non-...				US Patent US8841288 (2014) BindingDB Entry DOI: 10.7270/Q2RJ4H5X
					More data for this Ligand-Target Pair

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