Compile Data Set for Download or QSAR

Found 6635 hits Enz. Inhib. hit(s) with Target = 'Indoleamine 2,3-dioxygenase'   

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))	BDBM50520522 (CHEMBL4568628) Show SMILES COc1cc(NC(=O)[C@@H](Cc2ccccc2)NC2=C\C(=N\O)c3ccccc3C2=O)cc(OC)c1 |r,t:18| Show InChI InChI=1S/C27H25N3O5/c1-34-19-13-18(14-20(15-19)35-2)28-27(32)25(12-17-8-4-3-5-9-17)29-24-16-23(30-33)21-10-6-7-11-22(21)26(24)31/h3-11,13-16,25,29,33H,12H2,1-2H3,(H,28,32)/b30-23-/t25-/m1/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	n/a	0.00450	n/a	n/a	n/a	n/a	n/a
Guangxi Normal University Curated by ChEMBL					Assay Description Binding affinity to recombinant human IDO1 assessed as kinetic dissociation constant by SPR assay				J Med Chem 63: 1544-1563 (2020) Article DOI: 10.1021/acs.jmedchem.9b01386 BindingDB Entry DOI: 10.7270/Q2J969RJ
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50604023 (CHEMBL5192977) Show SMILES OCc1cc(ncc1-c1ccc(cc1)C1(COC1)C(=O)Nc1ccc(F)cc1)C(F)(F)F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	0.158	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01670 BindingDB Entry DOI: 10.7270/Q2VH5SX2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50520522 (CHEMBL4568628) Show SMILES COc1cc(NC(=O)[C@@H](Cc2ccccc2)NC2=C\C(=N\O)c3ccccc3C2=O)cc(OC)c1 |r,t:18| Show InChI InChI=1S/C27H25N3O5/c1-34-19-13-18(14-20(15-19)35-2)28-27(32)25(12-17-8-4-3-5-9-17)29-24-16-23(30-33)21-10-6-7-11-22(21)26(24)31/h3-11,13-16,25,29,33H,12H2,1-2H3,(H,28,32)/b30-23-/t25-/m1/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	n/a	80	n/a	n/a	n/a	n/a	n/a
Guangxi Normal University Curated by ChEMBL					Assay Description Binding affinity to recombinant human IDO1 assessed as equilibrium dissociation constant by SPR assay				J Med Chem 63: 1544-1563 (2020) Article DOI: 10.1021/acs.jmedchem.9b01386 BindingDB Entry DOI: 10.7270/Q2J969RJ
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50525682 (CHEMBL4549170) Show SMILES OC(Cc1ccccc1)c1cc(Br)cc2[nH]ncc12 Show InChI InChI=1S/C15H13BrN2O/c16-11-7-12(13-9-17-18-14(13)8-11)15(19)6-10-4-2-1-3-5-10/h1-5,7-9,15,19H,6H2,(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	n/a	140	n/a	n/a	n/a	n/a	n/a
Osaka University Curated by ChEMBL					Assay Description Binding affinity to recombinant ferrous state of IDO1 (unknown origin) expressed in Escherichia coli assessed as dissociation constant incubated for ...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.08.011 BindingDB Entry DOI: 10.7270/Q2R49V7Q
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM310195 ((-)-(R)-3-(5-fluoro-1H- indol-3-yl)pyrrolidine- 2,...) Show SMILES Fc1ccc2[nH]cc([C@H]3CC(=O)NC3=O)c2c1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a
iTeos Therapeutics Curated by ChEMBL					Assay Description Binding affinity to ferric form of human recombinant IDO-1 in absence of oxygen and presence of tryptophan				J Med Chem 60: 9617-9629 (2017) Article DOI: 10.1021/acs.jmedchem.7b00974 BindingDB Entry DOI: 10.7270/Q2ZP48M3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM310195 ((-)-(R)-3-(5-fluoro-1H- indol-3-yl)pyrrolidine- 2,...) Show SMILES Fc1ccc2[nH]cc([C@H]3CC(=O)NC3=O)c2c1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a
iTeos Therapeutics Curated by ChEMBL					Assay Description Binding affinity to ferric form of human recombinant IDO-1 in absence of oxygen				J Med Chem 60: 9617-9629 (2017) Article DOI: 10.1021/acs.jmedchem.7b00974 BindingDB Entry DOI: 10.7270/Q2ZP48M3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50602173 (CHEMBL5192805) Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)C(=O)Nc1ccc(OC2CCN(CC2)C(=O)CCOCCOCCNc2cccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c23)cc1 |r,wU:4.4,18.21,wD:1.0,(13.83,-3.51,;13.83,-1.98,;15.16,-2.75,;16.44,-1.98,;16.44,-.44,;15.16,.33,;13.83,-.44,;17.78,.33,;19.11,-.44,;20.45,.33,;20.45,1.87,;19.11,2.64,;19.11,4.18,;17.78,4.95,;16.44,4.18,;15.16,4.95,;16.44,2.64,;17.78,1.87,;12.49,-2.75,;12.49,-4.28,;11.16,-1.98,;11.16,-.44,;9.83,-2.75,;8.49,-1.98,;7.16,-2.75,;5.82,-1.98,;5.82,-.44,;4.49,.33,;3.16,-.44,;3.16,-1.98,;1.82,-2.75,;.49,-1.98,;.49,-.44,;1.82,.33,;-.85,-2.75,;-.85,-4.28,;-2.18,-1.98,;-3.51,-2.75,;-4.85,-1.98,;-6.18,-2.75,;-7.52,-1.98,;-8.85,-2.75,;-10.18,-1.98,;-11.52,-2.75,;-12.85,-1.98,;-14.19,-2.75,;-14.19,-4.28,;-15.52,-5.05,;-16.85,-4.28,;-16.85,-2.75,;-17.98,-1.72,;-19.52,-2.03,;-17.37,-.28,;-18.14,1.05,;-19.68,1.05,;-20.45,2.39,;-19.68,3.72,;-20.45,5.05,;-18.14,3.72,;-17.37,2.39,;-15.83,2.39,;-15.83,-.44,;-14.8,.69,;-15.52,-1.98,;7.16,.33,;8.49,-.44,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00771 BindingDB Entry DOI: 10.7270/Q2T43Z5D
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM309529 (3-(5-fluoro-1H-indol-3- yl)pyrrolidine-2,5-dione |...) Show SMILES Fc1ccc2[nH]cc(C3CC(=O)NC3=O)c2c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a
iTeos Therapeutics Curated by ChEMBL					Assay Description Binding affinity to ferric form of human recombinant IDO-1 in absence of oxygen				J Med Chem 60: 9617-9629 (2017) Article DOI: 10.1021/acs.jmedchem.7b00974 BindingDB Entry DOI: 10.7270/Q2ZP48M3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50525677 (CHEMBL4565667) Show SMILES Cc1cc(C(O)Cc2ccccc2)c2cn[nH]c2c1 Show InChI InChI=1S/C16H16N2O/c1-11-7-13(14-10-17-18-15(14)8-11)16(19)9-12-5-3-2-4-6-12/h2-8,10,16,19H,9H2,1H3,(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	n/a	470	n/a	n/a	n/a	n/a	n/a
Osaka University Curated by ChEMBL					Assay Description Binding affinity to recombinant ferrous state of IDO1 (unknown origin) expressed in Escherichia coli assessed as dissociation constant incubated for ...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.08.011 BindingDB Entry DOI: 10.7270/Q2R49V7Q
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50285416 (CHEMBL4161733) Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)C(=O)Nc1ccc(Cl)cc1 |r,wU:18.21,1.0,wD:4.7,(66.16,-9.22,;66.17,-7.68,;66.16,-6.15,;67.5,-5.38,;68.84,-6.15,;68.83,-7.69,;67.5,-8.46,;70.18,-5.39,;71.5,-6.16,;72.84,-5.4,;72.84,-3.85,;71.5,-3.08,;71.5,-1.55,;70.17,-.79,;68.84,-1.56,;67.5,-.8,;68.85,-3.09,;70.18,-3.85,;64.83,-8.46,;64.84,-10,;63.5,-7.69,;63.49,-6.14,;62.16,-8.46,;60.83,-7.69,;59.49,-8.47,;58.15,-7.69,;58.16,-6.14,;56.82,-5.38,;59.49,-5.38,;60.83,-6.14,)| Show InChI InChI=1S/C24H24ClFN2O/c1-15(24(29)28-20-9-6-18(25)7-10-20)16-2-4-17(5-3-16)21-12-13-27-23-11-8-19(26)14-22(21)23/h6-17H,2-5H2,1H3,(H,28,29)/t15-,16-,17+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	470	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00771 BindingDB Entry DOI: 10.7270/Q2T43Z5D
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	n/a	550	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Binding affinity to NT650-NHS fluorophore-labeled recombinant human N-terminal His-tagged IDO1 expressed in Escherichia coli measured after 10 mins b...				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))	BDBM50525682 (CHEMBL4549170) Show SMILES OC(Cc1ccccc1)c1cc(Br)cc2[nH]ncc12 Show InChI InChI=1S/C15H13BrN2O/c16-11-7-12(13-9-17-18-14(13)8-11)15(19)6-10-4-2-1-3-5-10/h1-5,7-9,15,19H,6H2,(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	n/a	600	n/a	n/a	n/a	n/a	n/a
Osaka University Curated by ChEMBL					Assay Description Binding affinity to recombinant ferric state of IDO1 (unknown origin) expressed in Escherichia coli assessed as dissociation constant incubated for 3...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.08.011 BindingDB Entry DOI: 10.7270/Q2R49V7Q
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50602173 (CHEMBL5192805) Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)C(=O)Nc1ccc(OC2CCN(CC2)C(=O)CCOCCOCCNc2cccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c23)cc1 |r,wU:4.4,18.21,wD:1.0,(13.83,-3.51,;13.83,-1.98,;15.16,-2.75,;16.44,-1.98,;16.44,-.44,;15.16,.33,;13.83,-.44,;17.78,.33,;19.11,-.44,;20.45,.33,;20.45,1.87,;19.11,2.64,;19.11,4.18,;17.78,4.95,;16.44,4.18,;15.16,4.95,;16.44,2.64,;17.78,1.87,;12.49,-2.75,;12.49,-4.28,;11.16,-1.98,;11.16,-.44,;9.83,-2.75,;8.49,-1.98,;7.16,-2.75,;5.82,-1.98,;5.82,-.44,;4.49,.33,;3.16,-.44,;3.16,-1.98,;1.82,-2.75,;.49,-1.98,;.49,-.44,;1.82,.33,;-.85,-2.75,;-.85,-4.28,;-2.18,-1.98,;-3.51,-2.75,;-4.85,-1.98,;-6.18,-2.75,;-7.52,-1.98,;-8.85,-2.75,;-10.18,-1.98,;-11.52,-2.75,;-12.85,-1.98,;-14.19,-2.75,;-14.19,-4.28,;-15.52,-5.05,;-16.85,-4.28,;-16.85,-2.75,;-17.98,-1.72,;-19.52,-2.03,;-17.37,-.28,;-18.14,1.05,;-19.68,1.05,;-20.45,2.39,;-19.68,3.72,;-20.45,5.05,;-18.14,3.72,;-17.37,2.39,;-15.83,2.39,;-15.83,-.44,;-14.8,.69,;-15.52,-1.98,;7.16,.33,;8.49,-.44,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	640	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00771 BindingDB Entry DOI: 10.7270/Q2T43Z5D
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50525680 (CHEMBL4557991) Show SMILES CCc1cc(C(O)Cc2ccccc2)c2cn[nH]c2c1 Show InChI InChI=1S/C17H18N2O/c1-2-12-8-14(15-11-18-19-16(15)9-12)17(20)10-13-6-4-3-5-7-13/h3-9,11,17,20H,2,10H2,1H3,(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	n/a	740	n/a	n/a	n/a	n/a	n/a
Osaka University Curated by ChEMBL					Assay Description Binding affinity to recombinant ferrous state of IDO1 (unknown origin) expressed in Escherichia coli assessed as dissociation constant incubated for ...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.08.011 BindingDB Entry DOI: 10.7270/Q2R49V7Q
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50602172 (CHEMBL5189195) Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)C(=O)Nc1ccc(OC2CCN(CC2)C(=O)CCOCCOCCNc2cccc3C(=O)N(C4CCC(=O)N(C)C4=O)C(=O)c23)cc1 |r,wU:4.4,18.21,wD:1.0,(13.83,-3.51,;13.83,-1.98,;15.16,-2.75,;16.44,-1.98,;16.44,-.44,;15.16,.33,;13.83,-.44,;17.78,.33,;19.11,-.44,;20.45,.33,;20.45,1.87,;19.11,2.64,;19.11,4.18,;17.78,4.95,;16.44,4.18,;15.16,4.95,;16.44,2.64,;17.78,1.87,;12.49,-2.75,;12.49,-4.28,;11.16,-1.98,;11.16,-.44,;9.83,-2.75,;8.49,-1.98,;7.16,-2.75,;5.82,-1.98,;5.82,-.44,;4.49,.33,;3.16,-.44,;3.16,-1.98,;1.82,-2.75,;.49,-1.98,;.49,-.44,;1.82,.33,;-.85,-2.75,;-.85,-4.28,;-2.18,-1.98,;-3.51,-2.75,;-4.85,-1.98,;-6.18,-2.75,;-7.52,-1.98,;-8.85,-2.75,;-10.18,-1.98,;-11.52,-2.75,;-12.85,-1.98,;-14.19,-2.75,;-14.19,-4.28,;-15.52,-5.05,;-16.85,-4.28,;-16.85,-2.75,;-17.98,-1.72,;-19.52,-2.03,;-17.37,-.28,;-18.14,1.05,;-19.68,1.05,;-20.45,2.39,;-19.68,3.72,;-20.45,5.05,;-18.14,3.72,;-17.37,5.05,;-17.37,2.39,;-15.83,2.39,;-15.83,-.44,;-14.8,.69,;-15.52,-1.98,;7.16,.33,;8.49,-.44,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00771 BindingDB Entry DOI: 10.7270/Q2T43Z5D
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50525680 (CHEMBL4557991) Show SMILES CCc1cc(C(O)Cc2ccccc2)c2cn[nH]c2c1 Show InChI InChI=1S/C17H18N2O/c1-2-12-8-14(15-11-18-19-16(15)9-12)17(20)10-13-6-4-3-5-7-13/h3-9,11,17,20H,2,10H2,1H3,(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	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a
Osaka University Curated by ChEMBL					Assay Description Binding affinity to recombinant ferric state of IDO1 (unknown origin) expressed in Escherichia coli assessed as dissociation constant incubated for 3...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.08.011 BindingDB Entry DOI: 10.7270/Q2R49V7Q
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50525677 (CHEMBL4565667) Show SMILES Cc1cc(C(O)Cc2ccccc2)c2cn[nH]c2c1 Show InChI InChI=1S/C16H16N2O/c1-11-7-13(14-10-17-18-15(14)8-11)16(19)9-12-5-3-2-4-6-12/h2-8,10,16,19H,9H2,1H3,(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	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a
Osaka University Curated by ChEMBL					Assay Description Binding affinity to recombinant ferric state of IDO1 (unknown origin) expressed in Escherichia coli assessed as dissociation constant incubated for 3...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.08.011 BindingDB Entry DOI: 10.7270/Q2R49V7Q
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50525684 (CHEMBL4438354) Show SMILES OC(Cc1ccccc1)c1cc(cc2[nH]ncc12)C1CC1 Show InChI InChI=1S/C18H18N2O/c21-18(8-12-4-2-1-3-5-12)15-9-14(13-6-7-13)10-17-16(15)11-19-20-17/h1-5,9-11,13,18,21H,6-8H2,(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	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a
Osaka University Curated by ChEMBL					Assay Description Binding affinity to recombinant ferrous state of IDO1 (unknown origin) expressed in Escherichia coli assessed as dissociation constant incubated for ...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.08.011 BindingDB Entry DOI: 10.7270/Q2R49V7Q
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50525678 (CHEMBL4565566) Show SMILES OC(Cc1ccccc1)c1cc(cc2[nH]ncc12)C#C Show InChI InChI=1S/C17H14N2O/c1-2-12-8-14(15-11-18-19-16(15)9-12)17(20)10-13-6-4-3-5-7-13/h1,3-9,11,17,20H,10H2,(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	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a
Osaka University Curated by ChEMBL					Assay Description Binding affinity to recombinant ferrous state of IDO1 (unknown origin) expressed in Escherichia coli assessed as dissociation constant incubated for ...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.08.011 BindingDB Entry DOI: 10.7270/Q2R49V7Q
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50525679 (CHEMBL4451287) Show SMILES Cc1cc(c2cn[nH]c2c1)[Si](C)(C)C Show InChI InChI=1S/C11H16N2Si/c1-8-5-10-9(7-12-13-10)11(6-8)14(2,3)4/h5-7H,1-4H3,(H,12,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a
Osaka University Curated by ChEMBL					Assay Description Binding affinity to recombinant ferrous state of IDO1 (unknown origin) expressed in Escherichia coli assessed as dissociation constant incubated for ...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.08.011 BindingDB Entry DOI: 10.7270/Q2R49V7Q
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50525682 (CHEMBL4549170) Show SMILES OC(Cc1ccccc1)c1cc(Br)cc2[nH]ncc12 Show InChI InChI=1S/C15H13BrN2O/c16-11-7-12(13-9-17-18-14(13)8-11)15(19)6-10-4-2-1-3-5-10/h1-5,7-9,15,19H,6H2,(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	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a
Osaka University Curated by ChEMBL					Assay Description Binding affinity to recombinant ferrous state of IDO1 C129Y mutant (unknown origin) expressed in Escherichia coli assessed as dissociation constant i...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.08.011 BindingDB Entry DOI: 10.7270/Q2R49V7Q
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50530532 (CHEMBL4443463) Show SMILES Clc1ccc(Nc2cn[nH]n2)cc1 Show InChI InChI=1S/C8H7ClN4/c9-6-1-3-7(4-2-6)11-8-5-10-13-12-8/h1-5H,(H2,10,11,12,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to recombinant human IDO1 expressed in Escherichia coli BL21 incubated for 4 hrs by UV-Visible Spectroscopy				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00925 BindingDB Entry DOI: 10.7270/Q28D010N
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50525679 (CHEMBL4451287) Show SMILES Cc1cc(c2cn[nH]c2c1)[Si](C)(C)C Show InChI InChI=1S/C11H16N2Si/c1-8-5-10-9(7-12-13-10)11(6-8)14(2,3)4/h5-7H,1-4H3,(H,12,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a
Osaka University Curated by ChEMBL					Assay Description Binding affinity to recombinant ferric state of IDO1 (unknown origin) expressed in Escherichia coli assessed as dissociation constant incubated for 3...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.08.011 BindingDB Entry DOI: 10.7270/Q2R49V7Q
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50126144 (CHEMBL3629569 | US10155972, Compound NewLink 1 | U...) Show SMILES OC(CC1c2ccccc2-c2cncn12)C1CCCCC1 Show InChI InChI=1S/C18H22N2O/c21-18(13-6-2-1-3-7-13)10-16-14-8-4-5-9-15(14)17-11-19-12-20(16)17/h4-5,8-9,11-13,16,18,21H,1-3,6-7,10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a
University of Perugia Curated by ChEMBL					Assay Description Binding affinity to NT647 dye labeled recombinant human IDO1 (1 to 403 residues) by microscale thermophoresis method				Eur J Med Chem 141: 169-177 (2017) Article DOI: 10.1016/j.ejmech.2017.09.044 BindingDB Entry DOI: 10.7270/Q20G3NNZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	n/a	3.46E+3	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Binding affinity to NT650-NHS fluorophore-labeled recombinant human N-terminal His-tagged IDO1 expressed in Escherichia coli measured after 10 mins b...				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 (Homo sapiens (Human))	BDBM310195 ((-)-(R)-3-(5-fluoro-1H- indol-3-yl)pyrrolidine- 2,...) Show SMILES Fc1ccc2[nH]cc([C@H]3CC(=O)NC3=O)c2c1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a
iTeos Therapeutics Curated by ChEMBL					Assay Description Binding affinity to ferrous form of human recombinant IDO-1				J Med Chem 60: 9617-9629 (2017) Article DOI: 10.1021/acs.jmedchem.7b00974 BindingDB Entry DOI: 10.7270/Q2ZP48M3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50535077 (CHEMBL4579018) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c2-[#8]-[#6@@H](-[#6]-[#6](=O)-c2c1-[#8])-c1ccc(-[#8])cc1-[#8] |r| Show InChI InChI=1S/C25H28O6/c1-13(2)5-8-17-23(29)18(9-6-14(3)4)25-22(24(17)30)20(28)12-21(31-25)16-10-7-15(26)11-19(16)27/h5-7,10-11,21,26-27,29-30H,8-9,12H2,1-4H3/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	6.50E+3	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to wild type human His-tagged IDO1 expressed in Escherichia coli T7 by surface plasmon resonance				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00925 BindingDB Entry DOI: 10.7270/Q28D010N
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM310195 ((-)-(R)-3-(5-fluoro-1H- indol-3-yl)pyrrolidine- 2,...) Show SMILES Fc1ccc2[nH]cc([C@H]3CC(=O)NC3=O)c2c1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a
iTeos Therapeutics Curated by ChEMBL					Assay Description Binding affinity to ferric form of human recombinant IDO-1				J Med Chem 60: 9617-9629 (2017) Article DOI: 10.1021/acs.jmedchem.7b00974 BindingDB Entry DOI: 10.7270/Q2ZP48M3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50525678 (CHEMBL4565566) Show SMILES OC(Cc1ccccc1)c1cc(cc2[nH]ncc12)C#C Show InChI InChI=1S/C17H14N2O/c1-2-12-8-14(15-11-18-19-16(15)9-12)17(20)10-13-6-4-3-5-7-13/h1,3-9,11,17,20H,10H2,(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	n/a	7.40E+3	n/a	n/a	n/a	n/a	n/a
Osaka University Curated by ChEMBL					Assay Description Binding affinity to recombinant ferric state of IDO1 (unknown origin) expressed in Escherichia coli assessed as dissociation constant incubated for 3...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.08.011 BindingDB Entry DOI: 10.7270/Q2R49V7Q
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50525676 (CHEMBL4561795) Show SMILES OC(Cc1ccccc1)c1cccc2[nH]ncc12 Show InChI InChI=1S/C15H14N2O/c18-15(9-11-5-2-1-3-6-11)12-7-4-8-14-13(12)10-16-17-14/h1-8,10,15,18H,9H2,(H,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	7.90E+3	n/a	n/a	n/a	n/a	n/a
Osaka University Curated by ChEMBL					Assay Description Binding affinity to recombinant ferrous state of IDO1 (unknown origin) expressed in Escherichia coli assessed as dissociation constant incubated for ...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.08.011 BindingDB Entry DOI: 10.7270/Q2R49V7Q
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50253296 (CHEMBL4079351) Show SMILES Oc1cccc(c1)-c1csc(N\N=C2/CC(=O)c3ccccc23)n1 Show InChI InChI=1S/C18H13N3O2S/c22-12-5-3-4-11(8-12)16-10-24-18(19-16)21-20-15-9-17(23)14-7-2-1-6-13(14)15/h1-8,10,22H,9H2,(H,19,21)/b20-15+	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	n/a	9.83E+3	n/a	n/a	n/a	n/a	n/a
School of Pharmacy, Fudan University, Shanghai 201203, China. Curated by ChEMBL					Assay Description Binding affinity to human IDO1 by SPR assay				Bioorg Med Chem 25: 3780-3791 (2017) Article DOI: 10.1016/j.bmc.2017.05.017 BindingDB Entry DOI: 10.7270/Q2QJ7KQR
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM309529 (3-(5-fluoro-1H-indol-3- yl)pyrrolidine-2,5-dione |...) Show SMILES Fc1ccc2[nH]cc(C3CC(=O)NC3=O)c2c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a
iTeos Therapeutics Curated by ChEMBL					Assay Description Binding affinity to ferrous form of human recombinant IDO-1				J Med Chem 60: 9617-9629 (2017) Article DOI: 10.1021/acs.jmedchem.7b00974 BindingDB Entry DOI: 10.7270/Q2ZP48M3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50278855 (CHEMBL4168345) Show SMILES NC(=N)Sc1c[nH]c2ccccc12 Show InChI InChI=1S/C9H9N3S/c10-9(11)13-8-5-12-7-4-2-1-3-6(7)8/h1-5,12H,(H3,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.78E+4	n/a	n/a	n/a	n/a	n/a
University of Perugia Curated by ChEMBL					Assay Description Binding affinity to NT647 dye labeled recombinant human IDO1 (1 to 403 residues) by microscale thermophoresis method				Eur J Med Chem 141: 169-177 (2017) Article DOI: 10.1016/j.ejmech.2017.09.044 BindingDB Entry DOI: 10.7270/Q20G3NNZ
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM309529 (3-(5-fluoro-1H-indol-3- yl)pyrrolidine-2,5-dione |...) Show SMILES Fc1ccc2[nH]cc(C3CC(=O)NC3=O)c2c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	2.23E+4	n/a	n/a	n/a	n/a	n/a
iTeos Therapeutics Curated by ChEMBL					Assay Description Binding affinity to ferric form of human recombinant IDO-1				J Med Chem 60: 9617-9629 (2017) Article DOI: 10.1021/acs.jmedchem.7b00974 BindingDB Entry DOI: 10.7270/Q2ZP48M3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50525677 (CHEMBL4565667) Show SMILES Cc1cc(C(O)Cc2ccccc2)c2cn[nH]c2c1 Show InChI InChI=1S/C16H16N2O/c1-11-7-13(14-10-17-18-15(14)8-11)16(19)9-12-5-3-2-4-6-12/h2-8,10,16,19H,9H2,1H3,(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	n/a	2.70E+4	n/a	n/a	n/a	n/a	n/a
Osaka University Curated by ChEMBL					Assay Description Binding affinity to recombinant ferrous state of IDO1 C129Y mutant (unknown origin) expressed in Escherichia coli assessed as dissociation constant i...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.08.011 BindingDB Entry DOI: 10.7270/Q2R49V7Q
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50525684 (CHEMBL4438354) Show SMILES OC(Cc1ccccc1)c1cc(cc2[nH]ncc12)C1CC1 Show InChI InChI=1S/C18H18N2O/c21-18(8-12-4-2-1-3-5-12)15-9-14(13-6-7-13)10-17-16(15)11-19-20-17/h1-5,9-11,13,18,21H,6-8H2,(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	n/a	2.80E+4	n/a	n/a	n/a	n/a	n/a
Osaka University Curated by ChEMBL					Assay Description Binding affinity to recombinant ferrous state of IDO1 C129Y mutant (unknown origin) expressed in Escherichia coli assessed as dissociation constant i...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.08.011 BindingDB Entry DOI: 10.7270/Q2R49V7Q
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50525676 (CHEMBL4561795) Show SMILES OC(Cc1ccccc1)c1cccc2[nH]ncc12 Show InChI InChI=1S/C15H14N2O/c18-15(9-11-5-2-1-3-6-11)12-7-4-8-14-13(12)10-16-17-14/h1-8,10,15,18H,9H2,(H,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	3.10E+4	n/a	n/a	n/a	n/a	n/a
Osaka University Curated by ChEMBL					Assay Description Binding affinity to recombinant ferric state of IDO1 (unknown origin) expressed in Escherichia coli assessed as dissociation constant incubated for 3...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.08.011 BindingDB Entry DOI: 10.7270/Q2R49V7Q
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50278856 (CHEMBL4169427) Show SMILES CCc1cccc2sc(NCCN3CCOCC3)nc12 Show InChI InChI=1S/C15H21N3OS/c1-2-12-4-3-5-13-14(12)17-15(20-13)16-6-7-18-8-10-19-11-9-18/h3-5H,2,6-11H2,1H3,(H,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	3.35E+4	n/a	n/a	n/a	n/a	n/a
University of Perugia Curated by ChEMBL					Assay Description Binding affinity to NT647 dye labeled recombinant human IDO1 (1 to 403 residues) by microscale thermophoresis method				Eur J Med Chem 141: 169-177 (2017) Article DOI: 10.1016/j.ejmech.2017.09.044 BindingDB Entry DOI: 10.7270/Q20G3NNZ
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50525681 (CHEMBL4574769) Show SMILES C[Si](C)(C)c1cccc2[nH]ncc12 Show InChI InChI=1S/C10H14N2Si/c1-13(2,3)10-6-4-5-9-8(10)7-11-12-9/h4-7H,1-3H3,(H,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	4.30E+4	n/a	n/a	n/a	n/a	n/a
Osaka University Curated by ChEMBL					Assay Description Binding affinity to recombinant ferrous state of IDO1 (unknown origin) expressed in Escherichia coli assessed as dissociation constant incubated for ...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.08.011 BindingDB Entry DOI: 10.7270/Q2R49V7Q
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50525680 (CHEMBL4557991) Show SMILES CCc1cc(C(O)Cc2ccccc2)c2cn[nH]c2c1 Show InChI InChI=1S/C17H18N2O/c1-2-12-8-14(15-11-18-19-16(15)9-12)17(20)10-13-6-4-3-5-7-13/h3-9,11,17,20H,2,10H2,1H3,(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	n/a	4.40E+4	n/a	n/a	n/a	n/a	n/a
Osaka University Curated by ChEMBL					Assay Description Binding affinity to recombinant ferrous state of IDO1 C129Y mutant (unknown origin) expressed in Escherichia coli assessed as dissociation constant i...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.08.011 BindingDB Entry DOI: 10.7270/Q2R49V7Q
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM48009 (8-fluoranylindolo[2,1-b]quinazoline-6,12-dione | 8...) Show SMILES Fc1ccc-2c(c1)C(=O)c1nc3ccccc3c(=O)n-21 Show InChI InChI=1S/C15H7FN2O2/c16-8-5-6-12-10(7-8)13(19)14-17-11-4-2-1-3-9(11)15(20)18(12)14/h1-7H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	4.68E+4	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Binding affinity to human IDO1 by SPR assay				J Med Chem 56: 8321-31 (2013) Article DOI: 10.1021/jm401195n BindingDB Entry DOI: 10.7270/Q2X34ZWS
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50525683 (CHEMBL4526452) Show SMILES OC(Cc1ccccc1)c1cc(cc2[nH]ncc12)-c1ccccc1 Show InChI InChI=1S/C21H18N2O/c24-21(11-15-7-3-1-4-8-15)18-12-17(16-9-5-2-6-10-16)13-20-19(18)14-22-23-20/h1-10,12-14,21,24H,11H2,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	5.30E+4	n/a	n/a	n/a	n/a	n/a
Osaka University Curated by ChEMBL					Assay Description Binding affinity to recombinant ferrous state of IDO1 (unknown origin) expressed in Escherichia coli assessed as dissociation constant incubated for ...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.08.011 BindingDB Entry DOI: 10.7270/Q2R49V7Q
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50278854 (CHEMBL1548961) Show SMILES O=S(=O)(NCc1cccnc1)c1ccc2ccccc2c1 Show InChI InChI=1S/C16H14N2O2S/c19-21(20,18-12-13-4-3-9-17-11-13)16-8-7-14-5-1-2-6-15(14)10-16/h1-11,18H,12H2	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	n/a	5.37E+4	n/a	n/a	n/a	n/a	n/a
University of Perugia Curated by ChEMBL					Assay Description Binding affinity to NT647 dye labeled recombinant human IDO1 (1 to 403 residues) by microscale thermophoresis method				Eur J Med Chem 141: 169-177 (2017) Article DOI: 10.1016/j.ejmech.2017.09.044 BindingDB Entry DOI: 10.7270/Q20G3NNZ
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50278961 (CHEMBL4171383) Show SMILES NC(=O)c1csc(NC(=O)Cc2c[nH]c3ccccc23)c1 Show InChI InChI=1S/C15H13N3O2S/c16-15(20)10-6-14(21-8-10)18-13(19)5-9-7-17-12-4-2-1-3-11(9)12/h1-4,6-8,17H,5H2,(H2,16,20)(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	6.15E+4	n/a	n/a	n/a	n/a	n/a
University of Perugia Curated by ChEMBL					Assay Description Binding affinity to NT647 dye labeled recombinant human IDO1 (1 to 403 residues) by microscale thermophoresis method				Eur J Med Chem 141: 169-177 (2017) Article DOI: 10.1016/j.ejmech.2017.09.044 BindingDB Entry DOI: 10.7270/Q20G3NNZ
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50525676 (CHEMBL4561795) Show SMILES OC(Cc1ccccc1)c1cccc2[nH]ncc12 Show InChI InChI=1S/C15H14N2O/c18-15(9-11-5-2-1-3-6-11)12-7-4-8-14-13(12)10-16-17-14/h1-8,10,15,18H,9H2,(H,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	6.60E+4	n/a	n/a	n/a	n/a	n/a
Osaka University Curated by ChEMBL					Assay Description Binding affinity to recombinant ferrous state of IDO1 C129Y mutant (unknown origin) expressed in Escherichia coli assessed as dissociation constant i...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.08.011 BindingDB Entry DOI: 10.7270/Q2R49V7Q
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM24627 (1H-indazole | Indazole, 5 | Indazole, 6) Show SMILES c1n[nH]c2ccccc12 Show InChI InChI=1S/C7H6N2/c1-2-4-7-6(3-1)5-8-9-7/h1-5H,(H,8,9)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	n/a	8.10E+4	n/a	n/a	n/a	n/a	n/a
Osaka University Curated by ChEMBL					Assay Description Binding affinity to recombinant ferrous state of IDO1 (unknown origin) expressed in Escherichia coli assessed as dissociation constant incubated for ...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.08.011 BindingDB Entry DOI: 10.7270/Q2R49V7Q
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50278871 (CHEMBL4176811) Show SMILES COc1ccccc1OCC(O)Cn1cnc2ccccc12 Show InChI InChI=1S/C17H18N2O3/c1-21-16-8-4-5-9-17(16)22-11-13(20)10-19-12-18-14-6-2-3-7-15(14)19/h2-9,12-13,20H,10-11H2,1H3	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	n/a	8.68E+4	n/a	n/a	n/a	n/a	n/a
University of Perugia Curated by ChEMBL					Assay Description Binding affinity to NT647 dye labeled recombinant human IDO1 (1 to 403 residues) by microscale thermophoresis method				Eur J Med Chem 141: 169-177 (2017) Article DOI: 10.1016/j.ejmech.2017.09.044 BindingDB Entry DOI: 10.7270/Q20G3NNZ
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50525678 (CHEMBL4565566) Show SMILES OC(Cc1ccccc1)c1cc(cc2[nH]ncc12)C#C Show InChI InChI=1S/C17H14N2O/c1-2-12-8-14(15-11-18-19-16(15)9-12)17(20)10-13-6-4-3-5-7-13/h1,3-9,11,17,20H,10H2,(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	n/a	9.40E+4	n/a	n/a	n/a	n/a	n/a
Osaka University Curated by ChEMBL					Assay Description Binding affinity to recombinant ferrous state of IDO1 C129Y mutant (unknown origin) expressed in Escherichia coli assessed as dissociation constant i...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.08.011 BindingDB Entry DOI: 10.7270/Q2R49V7Q
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50278952 (CHEMBL4173241) Show SMILES Cc1c(C)c2ccccc2n1CC(O)CN1CCNCC1 Show InChI InChI=1S/C17H25N3O/c1-13-14(2)20(17-6-4-3-5-16(13)17)12-15(21)11-19-9-7-18-8-10-19/h3-6,15,18,21H,7-12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	9.67E+4	n/a	n/a	n/a	n/a	n/a
University of Perugia Curated by ChEMBL					Assay Description Binding affinity to NT647 dye labeled recombinant human IDO1 (1 to 403 residues) by microscale thermophoresis method				Eur J Med Chem 141: 169-177 (2017) Article DOI: 10.1016/j.ejmech.2017.09.044 BindingDB Entry DOI: 10.7270/Q20G3NNZ
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50278876 (CHEMBL4172821) Show SMILES Cn1cc(C(O)CN)c2ccccc12 Show InChI InChI=1S/C11H14N2O/c1-13-7-9(11(14)6-12)8-4-2-3-5-10(8)13/h2-5,7,11,14H,6,12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	9.70E+4	n/a	n/a	n/a	n/a	n/a
University of Perugia Curated by ChEMBL					Assay Description Binding affinity to NT647 dye labeled recombinant human IDO1 (1 to 403 residues) by microscale thermophoresis method				Eur J Med Chem 141: 169-177 (2017) Article DOI: 10.1016/j.ejmech.2017.09.044 BindingDB Entry DOI: 10.7270/Q20G3NNZ
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 6635 total )  |  Next  |  Last  >>

Jump to: