Compile Data Set for Download or QSAR

Found 14 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50009425   

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	72	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing Medical University Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal His-tagged human IDO1 expressed in Escherichia coli assessed as reduction in N-formylkynurenine formation using ...				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111629 BindingDB Entry DOI: 10.7270/Q2BZ69GN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50528763 (CHEMBL4472697) Show SMILES CCOP(=O)(CC)NCCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O Show InChI InChI=1S/C15H21BrFN6O4P/c1-3-26-28(25,4-2)19-8-7-18-14-13(22-27-23-14)15(21-24)20-10-5-6-12(17)11(16)9-10/h5-6,9,24H,3-4,7-8H2,1-2H3,(H,18,23)(H,19,25)(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing Medical University Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal His-tagged human IDO1 expressed in Escherichia coli assessed as reduction in N-formylkynurenine formation using ...				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111629 BindingDB Entry DOI: 10.7270/Q2BZ69GN
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50528782 (CHEMBL4454093) Show SMILES COP(C)(=O)NCCCNc1nonc1\C(Nc1cccc(Br)c1)=N\O Show InChI InChI=1S/C14H20BrN6O4P/c1-24-26(2,23)17-8-4-7-16-13-12(20-25-21-13)14(19-22)18-11-6-3-5-10(15)9-11/h3,5-6,9,22H,4,7-8H2,1-2H3,(H,16,21)(H,17,23)(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	99	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing Medical University Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal His-tagged human IDO1 expressed in Escherichia coli assessed as reduction in N-formylkynurenine formation using ...				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111629 BindingDB Entry DOI: 10.7270/Q2BZ69GN
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50528777 (CHEMBL4455008) Show SMILES COP(C)(=O)NCCNc1nonc1\C(Nc1ccc(F)c(c1)C#N)=N\O Show InChI InChI=1S/C14H17FN7O4P/c1-25-27(2,24)18-6-5-17-13-12(21-26-22-13)14(20-23)19-10-3-4-11(15)9(7-10)8-16/h3-4,7,23H,5-6H2,1-2H3,(H,17,22)(H,18,24)(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	101	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing Medical University Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal His-tagged human IDO1 expressed in Escherichia coli assessed as reduction in N-formylkynurenine formation using ...				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111629 BindingDB Entry DOI: 10.7270/Q2BZ69GN
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50528761 (CHEMBL4552082) Show SMILES COP(C)(=O)NCCNc1nonc1\C(Nc1ccc(F)c(c1)C(F)(F)F)=N\O Show InChI InChI=1S/C14H17F4N6O4P/c1-27-29(2,26)20-6-5-19-12-11(23-28-24-12)13(22-25)21-8-3-4-10(15)9(7-8)14(16,17)18/h3-4,7,25H,5-6H2,1-2H3,(H,19,24)(H,20,26)(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	102	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing Medical University Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal His-tagged human IDO1 expressed in Escherichia coli assessed as reduction in N-formylkynurenine formation using ...				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111629 BindingDB Entry DOI: 10.7270/Q2BZ69GN
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50528779 (CHEMBL4514196) Show SMILES COP(C)(=O)NCCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O Show InChI InChI=1S/C13H17BrFN6O4P/c1-24-26(2,23)17-6-5-16-12-11(20-25-21-12)13(19-22)18-8-3-4-10(15)9(14)7-8/h3-4,7,22H,5-6H2,1-2H3,(H,16,21)(H,17,23)(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	104	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing Medical University Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal His-tagged human IDO1 expressed in Escherichia coli assessed as reduction in N-formylkynurenine formation using ...				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111629 BindingDB Entry DOI: 10.7270/Q2BZ69GN
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50528762 (CHEMBL4581189) Show SMILES CCOP(=O)(CC)NCCNc1nonc1\C(Nc1cccc(Br)c1)=N\O Show InChI InChI=1S/C15H22BrN6O4P/c1-3-25-27(24,4-2)18-9-8-17-14-13(21-26-22-14)15(20-23)19-12-7-5-6-11(16)10-12/h5-7,10,23H,3-4,8-9H2,1-2H3,(H,17,22)(H,18,24)(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	109	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing Medical University Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal His-tagged human IDO1 expressed in Escherichia coli assessed as reduction in N-formylkynurenine formation using ...				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111629 BindingDB Entry DOI: 10.7270/Q2BZ69GN
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50528775 (CHEMBL4552649) Show SMILES COP(C)(=O)NCCNc1nonc1\C(Nc1cccc(Br)c1)=N\O Show InChI InChI=1S/C13H18BrN6O4P/c1-23-25(2,22)16-7-6-15-12-11(19-24-20-12)13(18-21)17-10-5-3-4-9(14)8-10/h3-5,8,21H,6-7H2,1-2H3,(H,15,20)(H,16,22)(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	114	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing Medical University Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal His-tagged human IDO1 expressed in Escherichia coli assessed as reduction in N-formylkynurenine formation using ...				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111629 BindingDB Entry DOI: 10.7270/Q2BZ69GN
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50528770 (CHEMBL4567170) Show SMILES COP(C)(=O)NCCCCCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O Show InChI InChI=1S/C16H23BrFN6O4P/c1-27-29(2,26)20-9-5-3-4-8-19-15-14(23-28-24-15)16(22-25)21-11-6-7-13(18)12(17)10-11/h6-7,10,25H,3-5,8-9H2,1-2H3,(H,19,24)(H,20,26)(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	115	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing Medical University Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal His-tagged human IDO1 expressed in Escherichia coli assessed as reduction in N-formylkynurenine formation using ...				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111629 BindingDB Entry DOI: 10.7270/Q2BZ69GN
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50528760 (CHEMBL4444787) Show SMILES CCOP(C)(=O)NCCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O Show InChI InChI=1S/C14H19BrFN6O4P/c1-3-25-27(2,24)18-7-6-17-13-12(21-26-22-13)14(20-23)19-9-4-5-11(16)10(15)8-9/h4-5,8,23H,3,6-7H2,1-2H3,(H,17,22)(H,18,24)(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing Medical University Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal His-tagged human IDO1 expressed in Escherichia coli assessed as reduction in N-formylkynurenine formation using ...				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111629 BindingDB Entry DOI: 10.7270/Q2BZ69GN
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50528785 (CHEMBL4514159) Show SMILES CC(C)OP(C)(=O)NCCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O Show InChI InChI=1S/C15H21BrFN6O4P/c1-9(2)26-28(3,25)19-7-6-18-14-13(22-27-23-14)15(21-24)20-10-4-5-12(17)11(16)8-10/h4-5,8-9,24H,6-7H2,1-3H3,(H,18,23)(H,19,25)(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing Medical University Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal His-tagged human IDO1 expressed in Escherichia coli assessed as reduction in N-formylkynurenine formation using ...				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111629 BindingDB Entry DOI: 10.7270/Q2BZ69GN
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50528783 (CHEMBL4455785) Show SMILES COP(C)(=O)NCCNc1nonc1\C(Nc1cccc(c1)C(F)(F)F)=N\O Show InChI InChI=1S/C14H18F3N6O4P/c1-26-28(2,25)19-7-6-18-12-11(22-27-23-12)13(21-24)20-10-5-3-4-9(8-10)14(15,16)17/h3-5,8,24H,6-7H2,1-2H3,(H,18,23)(H,19,25)(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	121	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing Medical University Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal His-tagged human IDO1 expressed in Escherichia coli assessed as reduction in N-formylkynurenine formation using ...				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111629 BindingDB Entry DOI: 10.7270/Q2BZ69GN
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50528780 (CHEMBL4436582) Show SMILES COP(C)(=O)NCCCCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O Show InChI InChI=1S/C15H21BrFN6O4P/c1-26-28(2,25)19-8-4-3-7-18-14-13(22-27-23-14)15(21-24)20-10-5-6-12(17)11(16)9-10/h5-6,9,24H,3-4,7-8H2,1-2H3,(H,18,23)(H,19,25)(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	121	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing Medical University Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal His-tagged human IDO1 expressed in Escherichia coli assessed as reduction in N-formylkynurenine formation using ...				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111629 BindingDB Entry DOI: 10.7270/Q2BZ69GN
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50528781 (CHEMBL4460529) Show SMILES COP(C)(=O)N1CCC(C1)Nc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O Show InChI InChI=1S/C15H19BrFN6O4P/c1-26-28(2,25)23-6-5-10(8-23)19-15-13(21-27-22-15)14(20-24)18-9-3-4-12(17)11(16)7-9/h3-4,7,10,24H,5-6,8H2,1-2H3,(H,18,20)(H,19,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing Medical University Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal His-tagged human IDO1 expressed in Escherichia coli assessed as reduction in N-formylkynurenine formation using ...				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111629 BindingDB Entry DOI: 10.7270/Q2BZ69GN
					More data for this Ligand-Target Pair