Compile Data Set for Download or QSAR

Found 58 hits with Last Name = 'ugel' and Initial = 's'   

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
Proton-coupled folate transporter (Homo sapiens (Human))	BDBM18796 ((2S)-2-{[4-(2-{2-amino-4-oxo-1H,4H,7H-pyrrolo[2,3-...) Show SMILES Nc1nc2[nH]cc(CCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c2c(=O)[nH]1 |r| Show InChI InChI=1S/C20H21N5O6/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29)/t13-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	94	n/a	n/a	n/a	n/a	n/a	n/a	5.5	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of [3H]MTX transport at human PCFT expressed in Chinese hamster R2 cells at pH 5.5 by Dixon plot				J Med Chem 55: 1758-70 (2012) Article DOI: 10.1021/jm201688n BindingDB Entry DOI: 10.7270/Q26Q1ZB5
					More data for this Ligand-Target Pair
Proton-coupled folate transporter (Homo sapiens (Human))	BDBM50306576 ((S)-2-({5-[4-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo...) Show SMILES Nc1nc2[nH]c(CCCCc3ccc(s3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r| Show InChI InChI=1S/C20H23N5O6S/c21-20-24-16-12(17(28)25-20)9-10(22-16)3-1-2-4-11-5-7-14(32-11)18(29)23-13(19(30)31)6-8-15(26)27/h5,7,9,13H,1-4,6,8H2,(H,23,29)(H,26,27)(H,30,31)(H4,21,22,24,25,28)/t13-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	230	n/a	n/a	n/a	n/a	n/a	n/a	5.5	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of [3H]MTX transport at human PCFT expressed in Chinese hamster R2 cells at pH 5.5 by Dixon plot				J Med Chem 55: 1758-70 (2012) Article DOI: 10.1021/jm201688n BindingDB Entry DOI: 10.7270/Q26Q1ZB5
					More data for this Ligand-Target Pair
Proton-coupled folate transporter (Homo sapiens (Human))	BDBM50393640 (CHEMBL2158681) Show SMILES Nc1nc2[nH]c(CCCCc3csc(c3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r| Show InChI InChI=1S/C20H23N5O6S/c21-20-24-16-12(17(28)25-20)8-11(22-16)4-2-1-3-10-7-14(32-9-10)18(29)23-13(19(30)31)5-6-15(26)27/h7-9,13H,1-6H2,(H,23,29)(H,26,27)(H,30,31)(H4,21,22,24,25,28)/t13-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	390	n/a	n/a	n/a	n/a	n/a	n/a	5.5	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of [3H]MTX transport at human PCFT expressed in Chinese hamster R2 cells at pH 5.5 by Dixon plot				J Med Chem 55: 1758-70 (2012) Article DOI: 10.1021/jm201688n BindingDB Entry DOI: 10.7270/Q26Q1ZB5
					More data for this Ligand-Target Pair
Proton-coupled folate transporter (Homo sapiens (Human))	BDBM50393639 (CHEMBL2158682) Show SMILES Nc1nc2[nH]c(CCCCc3cc(cs3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r| Show InChI InChI=1S/C20H23N5O6S/c21-20-24-16-13(18(29)25-20)8-11(22-16)3-1-2-4-12-7-10(9-32-12)17(28)23-14(19(30)31)5-6-15(26)27/h7-9,14H,1-6H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29)/t14-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	420	n/a	n/a	n/a	n/a	n/a	n/a	5.5	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of [3H]MTX transport at human PCFT expressed in Chinese hamster R2 cells at pH 5.5 by Dixon plot				J Med Chem 55: 1758-70 (2012) Article DOI: 10.1021/jm201688n BindingDB Entry DOI: 10.7270/Q26Q1ZB5
					More data for this Ligand-Target Pair
Proton-coupled folate transporter (Homo sapiens (Human))	BDBM18796 ((2S)-2-{[4-(2-{2-amino-4-oxo-1H,4H,7H-pyrrolo[2,3-...) Show SMILES Nc1nc2[nH]cc(CCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c2c(=O)[nH]1 |r| Show InChI InChI=1S/C20H21N5O6/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29)/t13-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.54E+3	n/a	n/a	n/a	n/a	n/a	n/a	6.8	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of [3H]MTX transport at human PCFT expressed in Chinese hamster R2 cells at pH 6.8 by Dixon plot				J Med Chem 55: 1758-70 (2012) Article DOI: 10.1021/jm201688n BindingDB Entry DOI: 10.7270/Q26Q1ZB5
					More data for this Ligand-Target Pair
Proton-coupled folate transporter (Homo sapiens (Human))	BDBM50306576 ((S)-2-({5-[4-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo...) Show SMILES Nc1nc2[nH]c(CCCCc3ccc(s3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r| Show InChI InChI=1S/C20H23N5O6S/c21-20-24-16-12(17(28)25-20)9-10(22-16)3-1-2-4-11-5-7-14(32-11)18(29)23-13(19(30)31)6-8-15(26)27/h5,7,9,13H,1-4,6,8H2,(H,23,29)(H,26,27)(H,30,31)(H4,21,22,24,25,28)/t13-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7.23E+3	n/a	n/a	n/a	n/a	n/a	n/a	6.8	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of [3H]MTX transport at human PCFT expressed in Chinese hamster R2 cells at pH 6.8 by Dixon plot				J Med Chem 55: 1758-70 (2012) Article DOI: 10.1021/jm201688n BindingDB Entry DOI: 10.7270/Q26Q1ZB5
					More data for this Ligand-Target Pair
Proton-coupled folate transporter (Homo sapiens (Human))	BDBM50393640 (CHEMBL2158681) Show SMILES Nc1nc2[nH]c(CCCCc3csc(c3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r| Show InChI InChI=1S/C20H23N5O6S/c21-20-24-16-12(17(28)25-20)8-11(22-16)4-2-1-3-10-7-14(32-9-10)18(29)23-13(19(30)31)5-6-15(26)27/h7-9,13H,1-6H2,(H,23,29)(H,26,27)(H,30,31)(H4,21,22,24,25,28)/t13-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	2.81E+4	n/a	n/a	n/a	n/a	n/a	n/a	6.8	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of [3H]MTX transport at human PCFT expressed in Chinese hamster R2 cells at pH 6.8 by Dixon plot				J Med Chem 55: 1758-70 (2012) Article DOI: 10.1021/jm201688n BindingDB Entry DOI: 10.7270/Q26Q1ZB5
					More data for this Ligand-Target Pair
Proton-coupled folate transporter (Homo sapiens (Human))	BDBM50393639 (CHEMBL2158682) Show SMILES Nc1nc2[nH]c(CCCCc3cc(cs3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r| Show InChI InChI=1S/C20H23N5O6S/c21-20-24-16-13(18(29)25-20)8-11(22-16)3-1-2-4-12-7-10(9-32-12)17(28)23-14(19(30)31)5-6-15(26)27/h7-9,14H,1-6H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29)/t14-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	3.07E+4	n/a	n/a	n/a	n/a	n/a	n/a	6.8	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of [3H]MTX transport at human PCFT expressed in Chinese hamster R2 cells at pH 6.8 by Dixon plot				J Med Chem 55: 1758-70 (2012) Article DOI: 10.1021/jm201688n BindingDB Entry DOI: 10.7270/Q26Q1ZB5
					More data for this Ligand-Target Pair
Trifunctional purine biosynthetic protein adenosine-3 (Homo sapiens (Human))	BDBM50393640 (CHEMBL2158681) Show SMILES Nc1nc2[nH]c(CCCCc3csc(c3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r| Show InChI InChI=1S/C20H23N5O6S/c21-20-24-16-12(17(28)25-20)8-11(22-16)4-2-1-3-10-7-14(32-9-10)18(29)23-13(19(30)31)5-6-15(26)27/h7-9,13H,1-6H2,(H,23,29)(H,26,27)(H,30,31)(H4,21,22,24,25,28)/t13-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.79	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of GARFTase in human IGROV1 cells assessed as reduction in [14C]glycine incorporation into [14C]formyl GAR incubated for 15 hrs in complet...				J Med Chem 55: 1758-70 (2012) Article DOI: 10.1021/jm201688n BindingDB Entry DOI: 10.7270/Q26Q1ZB5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Trifunctional purine biosynthetic protein adenosine-3 (Homo sapiens (Human))	BDBM50393639 (CHEMBL2158682) Show SMILES Nc1nc2[nH]c(CCCCc3cc(cs3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r| Show InChI InChI=1S/C20H23N5O6S/c21-20-24-16-13(18(29)25-20)8-11(22-16)3-1-2-4-12-7-10(9-32-12)17(28)23-14(19(30)31)5-6-15(26)27/h7-9,14H,1-6H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29)/t14-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	2.03	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of GARFTase in human IGROV1 cells assessed as reduction in [14C]glycine incorporation into [14C]formyl GAR incubated for 15 hrs in complet...				J Med Chem 55: 1758-70 (2012) Article DOI: 10.1021/jm201688n BindingDB Entry DOI: 10.7270/Q26Q1ZB5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Trifunctional purine biosynthetic protein adenosine-3 (Homo sapiens (Human))	BDBM50306576 ((S)-2-({5-[4-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo...) Show SMILES Nc1nc2[nH]c(CCCCc3ccc(s3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r| Show InChI InChI=1S/C20H23N5O6S/c21-20-24-16-12(17(28)25-20)9-10(22-16)3-1-2-4-11-5-7-14(32-11)18(29)23-13(19(30)31)6-8-15(26)27/h5,7,9,13H,1-4,6,8H2,(H,23,29)(H,26,27)(H,30,31)(H4,21,22,24,25,28)/t13-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.46	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of GARFTase in human IGROV1 cells assessed as reduction in [14C]glycine incorporation into [14C]formyl GAR incubated for 15 hrs in complet...				J Med Chem 55: 1758-70 (2012) Article DOI: 10.1021/jm201688n BindingDB Entry DOI: 10.7270/Q26Q1ZB5
					More data for this Ligand-Target Pair
Trifunctional purine biosynthetic protein adenosine-3 (Homo sapiens (Human))	BDBM50005518 ((S)-2-(4-(2-((R)-2-amino-4-oxo-1,4,5,6,7,8-hexahyd...) Show SMILES Nc1nc2NCC(CCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)Cc2c(=O)[nH]1 |r| Show InChI InChI=1S/C21H25N5O6/c22-21-25-17-14(19(30)26-21)9-12(10-23-17)2-1-11-3-5-13(6-4-11)18(29)24-15(20(31)32)7-8-16(27)28/h3-6,12,15H,1-2,7-10H2,(H,24,29)(H,27,28)(H,31,32)(H4,22,23,25,26,30)/t12?,15-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.77	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of GARFTase in human IGROV1 cells assessed as reduction in [14C]glycine incorporation into [14C]formyl GAR incubated for 15 hrs in complet...				J Med Chem 55: 1758-70 (2012) Article DOI: 10.1021/jm201688n BindingDB Entry DOI: 10.7270/Q26Q1ZB5
					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	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 (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
Trifunctional purine biosynthetic protein adenosine-3 (Homo sapiens (Human))	BDBM50249877 ((S)-2-(4-(4-(2-amino-4-oxo-3,4-dihydrothieno[2,3-d...) Show SMILES Nc1nc2sc(CCCCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r| Show InChI InChI=1S/C22H24N4O6S/c23-22-25-19(30)15-11-14(33-20(15)26-22)4-2-1-3-12-5-7-13(8-6-12)18(29)24-16(21(31)32)9-10-17(27)28/h5-8,11,16H,1-4,9-10H2,(H,24,29)(H,27,28)(H,31,32)(H3,23,25,26,30)/t16-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University School of Medicine Curated by ChEMBL					Assay Description Inhibition of GARFTase in human KB cells assessed as inhibition of incorporation of [14C]glycine into [14C]formyl GAR after 30 mins in presence of az...				J Med Chem 52: 2940-51 (2009) Article DOI: 10.1021/jm8011323 BindingDB Entry DOI: 10.7270/Q2NG4QH8
					More data for this Ligand-Target Pair
Trifunctional purine biosynthetic protein adenosine-3 (Homo sapiens (Human))	BDBM50249876 (CHEMBL490934 | N-{4-[3-(2-Amino-4-oxo-3,4-dihydrot...) Show SMILES Nc1nc2sc(CCCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r| Show InChI InChI=1S/C21H22N4O6S/c22-21-24-18(29)14-10-13(32-19(14)25-21)3-1-2-11-4-6-12(7-5-11)17(28)23-15(20(30)31)8-9-16(26)27/h4-7,10,15H,1-3,8-9H2,(H,23,28)(H,26,27)(H,30,31)(H3,22,24,25,29)/t15-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University School of Medicine Curated by ChEMBL					Assay Description Inhibition of GARFTase in human KB cells assessed as inhibition of incorporation of [14C]glycine into [14C]formyl GAR after 30 mins in presence of az...				J Med Chem 52: 2940-51 (2009) Article DOI: 10.1021/jm8011323 BindingDB Entry DOI: 10.7270/Q2NG4QH8
					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
Trifunctional purine biosynthetic protein adenosine-3 (Homo sapiens (Human))	BDBM22590 ((2S)-2-[(4-{2-[(6R)-2-amino-4-oxo-1H,4H,5H,6H,7H,8...) Show SMILES Nc1nc2NC[C@H](CCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)Cc2c(=O)[nH]1 Show InChI InChI=1S/C21H25N5O6/c22-21-25-17-14(19(30)26-21)9-12(10-23-17)2-1-11-3-5-13(6-4-11)18(29)24-15(20(31)32)7-8-16(27)28/h3-6,12,15H,1-2,7-10H2,(H,24,29)(H,27,28)(H,31,32)(H4,22,23,25,26,30)/t12-,15+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University School of Medicine Curated by ChEMBL					Assay Description Inhibition of GARFTase in human KB cells assessed as inhibition of incorporation of [14C]glycine into [14C]formyl GAR after 30 mins in presence of az...				J Med Chem 52: 2940-51 (2009) Article DOI: 10.1021/jm8011323 BindingDB Entry DOI: 10.7270/Q2NG4QH8
					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
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
Trifunctional purine biosynthetic protein adenosine-3 (Homo sapiens (Human))	BDBM50249953 (CHEMBL491129 | N-{4-[5-(2-Amino-4-oxo-3,4-dihydrot...) Show SMILES Nc1nc2sc(CCCCCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r| Show InChI InChI=1S/C23H26N4O6S/c24-23-26-20(31)16-12-15(34-21(16)27-23)5-3-1-2-4-13-6-8-14(9-7-13)19(30)25-17(22(32)33)10-11-18(28)29/h6-9,12,17H,1-5,10-11H2,(H,25,30)(H,28,29)(H,32,33)(H3,24,26,27,31)/t17-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University School of Medicine Curated by ChEMBL					Assay Description Inhibition of GARFTase in human KB cells assessed as inhibition of incorporation of [14C]glycine into [14C]formyl GAR after 30 mins in presence of az...				J Med Chem 52: 2940-51 (2009) Article DOI: 10.1021/jm8011323 BindingDB Entry DOI: 10.7270/Q2NG4QH8
					More data for this Ligand-Target Pair
Trifunctional purine biosynthetic protein adenosine-3 (Homo sapiens (Human))	BDBM50249954 (CHEMBL491298 | N-{4-[6-(2-Amino-4-oxo-3,4-dihydrot...) Show SMILES Nc1nc2sc(CCCCCCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r| Show InChI InChI=1S/C24H28N4O6S/c25-24-27-21(32)17-13-16(35-22(17)28-24)6-4-2-1-3-5-14-7-9-15(10-8-14)20(31)26-18(23(33)34)11-12-19(29)30/h7-10,13,18H,1-6,11-12H2,(H,26,31)(H,29,30)(H,33,34)(H3,25,27,28,32)/t18-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University School of Medicine Curated by ChEMBL					Assay Description Inhibition of GARFTase in human KB cells assessed as inhibition of incorporation of [14C]glycine into [14C]formyl GAR after 30 mins in presence of az...				J Med Chem 52: 2940-51 (2009) Article DOI: 10.1021/jm8011323 BindingDB Entry DOI: 10.7270/Q2NG4QH8
					More data for this Ligand-Target Pair
Trifunctional purine biosynthetic protein adenosine-3 (Homo sapiens (Human))	BDBM18796 ((2S)-2-{[4-(2-{2-amino-4-oxo-1H,4H,7H-pyrrolo[2,3-...) Show SMILES Nc1nc2[nH]cc(CCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c2c(=O)[nH]1 |r| Show InChI InChI=1S/C20H21N5O6/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29)/t13-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University School of Medicine Curated by ChEMBL					Assay Description Inhibition of GARFTase in human KB cells assessed as inhibition of incorporation of [14C]glycine into [14C]formyl GAR after 30 mins in presence of az...				J Med Chem 52: 2940-51 (2009) Article DOI: 10.1021/jm8011323 BindingDB Entry DOI: 10.7270/Q2NG4QH8
					More data for this Ligand-Target Pair
Trifunctional purine biosynthetic protein adenosine-3 (Homo sapiens (Human))	BDBM50249875 (CHEMBL522455 | N-{4-[2-(2-Amino-4-oxo-3,4-dihydrot...) Show SMILES Nc1nc2sc(CCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r| Show InChI InChI=1S/C20H20N4O6S/c21-20-23-17(28)13-9-12(31-18(13)24-20)6-3-10-1-4-11(5-2-10)16(27)22-14(19(29)30)7-8-15(25)26/h1-2,4-5,9,14H,3,6-8H2,(H,22,27)(H,25,26)(H,29,30)(H3,21,23,24,28)/t14-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University School of Medicine Curated by ChEMBL					Assay Description Inhibition of GARFTase in human KB cells assessed as inhibition of incorporation of [14C]glycine into [14C]formyl GAR after 30 mins in presence of az...				J Med Chem 52: 2940-51 (2009) Article DOI: 10.1021/jm8011323 BindingDB Entry DOI: 10.7270/Q2NG4QH8
					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 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	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
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
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
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))	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))	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))	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
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))	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
Trifunctional purine biosynthetic protein adenosine-3 (Mus musculus)	BDBM22590 ((2S)-2-[(4-{2-[(6R)-2-amino-4-oxo-1H,4H,5H,6H,7H,8...) Show SMILES Nc1nc2NC[C@H](CCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)Cc2c(=O)[nH]1 Show InChI InChI=1S/C21H25N5O6/c22-21-25-17-14(19(30)26-21)9-12(10-23-17)2-1-11-3-5-13(6-4-11)18(29)24-15(20(31)32)7-8-16(27)28/h3-6,12,15H,1-2,7-10H2,(H,24,29)(H,27,28)(H,31,32)(H4,22,23,25,26,30)/t12-,15+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	780	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University School of Medicine Curated by ChEMBL					Assay Description Inhibition of mouse recombinant GARFTase				J Med Chem 52: 2940-51 (2009) Article DOI: 10.1021/jm8011323 BindingDB Entry DOI: 10.7270/Q2NG4QH8
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50514756 (CHEMBL4439258) Show SMILES Oc1ccc2[nH]c(cc2c1)C(=O)NCc1cccc(Cn2cnc3ccccc23)c1 Show InChI InChI=1S/C24H20N4O2/c29-19-8-9-20-18(11-19)12-22(27-20)24(30)25-13-16-4-3-5-17(10-16)14-28-15-26-21-6-1-2-7-23(21)28/h1-12,15,27,29H,13-14H2,(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	781	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))	BDBM50514763 (CHEMBL4457663) Show SMILES Fc1ccc(cc1)C(=O)NCc1cccc(Cn2cnc3ccccc23)c1 Show InChI InChI=1S/C22H18FN3O/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	961	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))	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	1.94E+3	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
Tryptophan 2,3-dioxygenase (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)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.46E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of mouse TDO 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
Trifunctional purine biosynthetic protein adenosine-3 (Mus musculus)	BDBM50249877 ((S)-2-(4-(4-(2-amino-4-oxo-3,4-dihydrothieno[2,3-d...) Show SMILES Nc1nc2sc(CCCCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r| Show InChI InChI=1S/C22H24N4O6S/c23-22-25-19(30)15-11-14(33-20(15)26-22)4-2-1-3-12-5-7-13(8-6-12)18(29)24-16(21(31)32)9-10-17(27)28/h5-8,11,16H,1-4,9-10H2,(H,24,29)(H,27,28)(H,31,32)(H3,23,25,26,30)/t16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University School of Medicine Curated by ChEMBL					Assay Description Inhibition of mouse recombinant GARFTase				J Med Chem 52: 2940-51 (2009) Article DOI: 10.1021/jm8011323 BindingDB Entry DOI: 10.7270/Q2NG4QH8
					More data for this Ligand-Target Pair
Trifunctional purine biosynthetic protein adenosine-3 (Mus musculus)	BDBM50249876 (CHEMBL490934 | N-{4-[3-(2-Amino-4-oxo-3,4-dihydrot...) Show SMILES Nc1nc2sc(CCCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r| Show InChI InChI=1S/C21H22N4O6S/c22-21-24-18(29)14-10-13(32-19(14)25-21)3-1-2-11-4-6-12(7-5-11)17(28)23-15(20(30)31)8-9-16(26)27/h4-7,10,15H,1-3,8-9H2,(H,23,28)(H,26,27)(H,30,31)(H3,22,24,25,29)/t15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.52E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University School of Medicine Curated by ChEMBL					Assay Description Inhibition of mouse recombinant GARFTase				J Med Chem 52: 2940-51 (2009) Article DOI: 10.1021/jm8011323 BindingDB Entry DOI: 10.7270/Q2NG4QH8
					More data for this Ligand-Target Pair

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