Compile Data Set for Download or QSAR

Found 305 hits with Last Name = 'lalonde' and Initial = 'jm'   

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
Cathepsin K (Homo sapiens (Human))	BDBM50066650 (1,3-BIS[[N-[(PHENYLMETHOXY)CARBONYL]-L-LEUCYL]AMIN...) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C31H42N4O7/c1-21(2)15-26(34-30(39)41-19-23-11-7-5-8-12-23)28(37)32-17-25(36)18-33-29(38)27(16-22(3)4)35-31(40)42-20-24-13-9-6-10-14-24/h5-14,21-22,26-27H,15-20H2,1-4H3,(H,32,37)(H,33,38)(H,34,39)(H,35,40)/t26-,27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity measured against cathepsin K.				J Med Chem 41: 4567-76 (1998) Article DOI: 10.1021/jm980249f BindingDB Entry DOI: 10.7270/Q26974TN
					More data for this Ligand-Target Pair				3D Structure (docked)
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50146461 (CHEMBL3765807) Show SMILES Cl.NOCc1cccc(Cl)c1 Show InChI InChI=1S/C7H8ClNO.ClH/c8-7-3-1-2-6(4-7)5-10-9;/h1-4H,5,9H2;1H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	154	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bryn Mawr College Curated by ChEMBL					Assay Description Inhibition of recombinant human IDO1 assessed as reduction in kynurenine production using L-tryptophan as substrate after 60 mins by Michaelis-Menton...				Eur J Med Chem 108: 564-76 (2016) Article DOI: 10.1016/j.ejmech.2015.12.028 BindingDB Entry DOI: 10.7270/Q26Q203T
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50146460 (CHEMBL3763688) Show SMILES Cl.NOCc1ccc(I)cc1 Show InChI InChI=1S/C7H8INO.ClH/c8-7-3-1-6(2-4-7)5-10-9;/h1-4H,5,9H2;1H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	164	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bryn Mawr College Curated by ChEMBL					Assay Description Inhibition of recombinant human IDO1 assessed as reduction in kynurenine production using L-tryptophan as substrate after 60 mins by Michaelis-Menton...				Eur J Med Chem 108: 564-76 (2016) Article DOI: 10.1016/j.ejmech.2015.12.028 BindingDB Entry DOI: 10.7270/Q26Q203T
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM24666 (4-(1H-imidazol-4-yl)benzene-1-thiol | 4-(1H-imidaz...) Show SMILES Sc1ccc(cc1)-c1c[nH]cn1 Show InChI InChI=1S/C9H8N2S/c12-8-3-1-7(2-4-8)9-5-10-6-11-9/h1-6,12H,(H,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.80E+3	-31.6	7.70E+3	n/a	n/a	n/a	n/a	6.5	37
Bryn Mawr College					Assay Description The IC50 inhibition assays were performed in a 96-well microtiter plate format using purified recombinant IDO, which was added to the substrate, L-tr...				J Med Chem 51: 4968-77 (2008) Article DOI: 10.1021/jm800512z BindingDB Entry DOI: 10.7270/Q2154FB1
					More data for this Ligand-Target Pair				3D Structure (docked)
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM24665 (3-(1H-imidazol-4-yl)benzene-1-thiol | 3-(1H-imidaz...) Show SMILES Sc1cccc(c1)-c1c[nH]cn1 Show InChI InChI=1S/C9H8N2S/c12-8-3-1-2-7(4-8)9-5-10-6-11-9/h1-6,12H,(H,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.30E+3	-31.3	7.60E+3	n/a	n/a	n/a	n/a	6.5	37
Bryn Mawr College					Assay Description The IC50 inhibition assays were performed in a 96-well microtiter plate format using purified recombinant IDO, which was added to the substrate, L-tr...				J Med Chem 51: 4968-77 (2008) Article DOI: 10.1021/jm800512z BindingDB Entry DOI: 10.7270/Q2154FB1
					More data for this Ligand-Target Pair				3D Structure (docked)
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM24663 (2-(1H-imidazol-4-yl)phenol | 2-(1H-imidazol-4-yl)p...) Show SMILES Oc1ccccc1-c1c[nH]cn1 Show InChI InChI=1S/C9H8N2O/c12-9-4-2-1-3-7(9)8-5-10-6-11-8/h1-6,12H,(H,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	8.90E+3	-30.0	4.80E+3	n/a	n/a	n/a	n/a	6.5	37
Bryn Mawr College					Assay Description The IC50 inhibition assays were performed in a 96-well microtiter plate format using purified recombinant IDO, which was added to the substrate, L-tr...				J Med Chem 51: 4968-77 (2008) Article DOI: 10.1021/jm800512z BindingDB Entry DOI: 10.7270/Q2154FB1
					More data for this Ligand-Target Pair				3D Structure (docked)
Papain (Carica papaya)	BDBM50066650 (1,3-BIS[[N-[(PHENYLMETHOXY)CARBONYL]-L-LEUCYL]AMIN...) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C31H42N4O7/c1-21(2)15-26(34-30(39)41-19-23-11-7-5-8-12-23)28(37)32-17-25(36)18-33-29(38)27(16-22(3)4)35-31(40)42-20-24-13-9-6-10-14-24/h5-14,21-22,26-27H,15-20H2,1-4H3,(H,32,37)(H,33,38)(H,34,39)(H,35,40)/t26-,27-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity measured against papain.				J Med Chem 41: 4567-76 (1998) Article DOI: 10.1021/jm980249f BindingDB Entry DOI: 10.7270/Q26974TN
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM24797 ((3S,4S)-4-(benzylamino)-3-hydroxy-2,2-dimethyl-2H,...) Show SMILES CC1(C)OC2=C([C@H](NCc3ccccc3)[C@@H]1O)C(=O)c1ccccc1C2=O |r,c:4| Show InChI InChI=1S/C22H21NO4/c1-22(2)21(26)17(23-12-13-8-4-3-5-9-13)16-18(24)14-10-6-7-11-15(14)19(25)20(16)27-22/h3-11,17,21,23,26H,12H2,1-2H3/t17-,21-/m0/s1	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	55	n/a	n/a	n/a	n/a	n/a	n/a
Bryn Mawr College					Assay Description The IC50 inhibition assays were performed in a 96-well microtiter plate format using purified recombinant IDO, which was added to the substrate, L-tr...				J Med Chem 51: 1706-18 (2008) Article DOI: 10.1021/jm7014155 BindingDB Entry DOI: 10.7270/Q2VD6WSV
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50146461 (CHEMBL3765807) Show SMILES Cl.NOCc1cccc(Cl)c1 Show InChI InChI=1S/C7H8ClNO.ClH/c8-7-3-1-2-6(4-7)5-10-9;/h1-4H,5,9H2;1H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a	n/a
Bryn Mawr College Curated by ChEMBL					Assay Description Inhibition of doxycycline-induced human IDO1 expressed in Trex cells assessed as reduction in kynurenine production treated with 5-fold serial diluti...				Eur J Med Chem 108: 564-76 (2016) Article DOI: 10.1016/j.ejmech.2015.12.028 BindingDB Entry DOI: 10.7270/Q26Q203T
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM24802 ((3R,4S)-4-(butylamino)-3-hydroxy-2,2-dimethyl-2H,3...) Show SMILES CCCCN[C@@H]1[C@@H](O)C(C)(C)OC2=C1C(=O)c1ccccc1C2=O |r,c:12| Show InChI InChI=1S/C19H23NO4/c1-4-5-10-20-14-13-15(21)11-8-6-7-9-12(11)16(22)17(13)24-19(2,3)18(14)23/h6-9,14,18,20,23H,4-5,10H2,1-3H3/t14-,18+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	n/a
Bryn Mawr College					Assay Description The IC50 inhibition assays were performed in a 96-well microtiter plate format using purified recombinant IDO, which was added to the substrate, L-tr...				J Med Chem 51: 1706-18 (2008) Article DOI: 10.1021/jm7014155 BindingDB Entry DOI: 10.7270/Q2VD6WSV
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50146460 (CHEMBL3763688) Show SMILES Cl.NOCc1ccc(I)cc1 Show InChI InChI=1S/C7H8INO.ClH/c8-7-3-1-6(2-4-7)5-10-9;/h1-4H,5,9H2;1H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	n/a
Bryn Mawr College Curated by ChEMBL					Assay Description Inhibition of IFN gamma induced human IDO1 in HeLa cells assessed as reduction in kynurenine production treated with 5-fold serial dilution beginning...				Eur J Med Chem 108: 564-76 (2016) Article DOI: 10.1016/j.ejmech.2015.12.028 BindingDB Entry DOI: 10.7270/Q26Q203T
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50146460 (CHEMBL3763688) Show SMILES Cl.NOCc1ccc(I)cc1 Show InChI InChI=1S/C7H8INO.ClH/c8-7-3-1-6(2-4-7)5-10-9;/h1-4H,5,9H2;1H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	95	n/a	n/a	n/a	n/a	n/a	n/a
Bryn Mawr College Curated by ChEMBL					Assay Description Inhibition of IFN gamma induced human IDO1 in HeLa cells assessed as reduction in kynurenine production treated with 3-fold serial dilution beginning...				Eur J Med Chem 108: 564-76 (2016) Article DOI: 10.1016/j.ejmech.2015.12.028 BindingDB Entry DOI: 10.7270/Q26Q203T
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50146461 (CHEMBL3765807) Show SMILES Cl.NOCc1cccc(Cl)c1 Show InChI InChI=1S/C7H8ClNO.ClH/c8-7-3-1-2-6(4-7)5-10-9;/h1-4H,5,9H2;1H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	114	n/a	n/a	n/a	n/a	n/a	n/a
Bryn Mawr College Curated by ChEMBL					Assay Description Inhibition of IFN gamma induced human IDO1 in HeLa cells assessed as reduction in kynurenine production treated with 5-fold serial dilution beginning...				Eur J Med Chem 108: 564-76 (2016) Article DOI: 10.1016/j.ejmech.2015.12.028 BindingDB Entry DOI: 10.7270/Q26Q203T
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM24794 (9-hydroxy-2,2-dimethyl-2H,5H,10H-benzo[g]chromene-...) Show SMILES CC1(C)OC2=C(C=C1)C(=O)c1cccc(O)c1C2=O |c:4,6| Show InChI InChI=1S/C15H12O4/c1-15(2)7-6-9-12(17)8-4-3-5-10(16)11(8)13(18)14(9)19-15/h3-7,16H,1-2H3	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	121	n/a	n/a	n/a	n/a	n/a	n/a
Bryn Mawr College					Assay Description The IC50 inhibition assays were performed in a 96-well microtiter plate format using purified recombinant IDO, which was added to the substrate, L-tr...				J Med Chem 51: 1706-18 (2008) Article DOI: 10.1021/jm7014155 BindingDB Entry DOI: 10.7270/Q2VD6WSV
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM24801 ((3S,4S)-4-(butylamino)-3-hydroxy-2,2-dimethyl-2H,3...) Show SMILES CCCCN[C@@H]1[C@H](O)C(C)(C)OC2=C1C(=O)c1ccccc1C2=O |r,c:12| Show InChI InChI=1S/C19H23NO4/c1-4-5-10-20-14-13-15(21)11-8-6-7-9-12(11)16(22)17(13)24-19(2,3)18(14)23/h6-9,14,18,20,23H,4-5,10H2,1-3H3/t14-,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Bryn Mawr College					Assay Description The IC50 inhibition assays were performed in a 96-well microtiter plate format using purified recombinant IDO, which was added to the substrate, L-tr...				J Med Chem 51: 1706-18 (2008) Article DOI: 10.1021/jm7014155 BindingDB Entry DOI: 10.7270/Q2VD6WSV
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50146461 (CHEMBL3765807) Show SMILES Cl.NOCc1cccc(Cl)c1 Show InChI InChI=1S/C7H8ClNO.ClH/c8-7-3-1-2-6(4-7)5-10-9;/h1-4H,5,9H2;1H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	134	n/a	n/a	n/a	n/a	n/a	n/a
Bryn Mawr College Curated by ChEMBL					Assay Description Inhibition of IFN gamma induced human IDO1 in HeLa cells assessed as reduction in kynurenine production treated with 3-fold serial dilution beginning...				Eur J Med Chem 108: 564-76 (2016) Article DOI: 10.1016/j.ejmech.2015.12.028 BindingDB Entry DOI: 10.7270/Q26Q203T
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50146460 (CHEMBL3763688) Show SMILES Cl.NOCc1ccc(I)cc1 Show InChI InChI=1S/C7H8INO.ClH/c8-7-3-1-6(2-4-7)5-10-9;/h1-4H,5,9H2;1H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Bryn Mawr College Curated by ChEMBL					Assay Description Inhibition of doxycycline-induced human IDO1 expressed in Trex cells assessed as reduction in kynurenine production treated with 5-fold serial diluti...				Eur J Med Chem 108: 564-76 (2016) Article DOI: 10.1016/j.ejmech.2015.12.028 BindingDB Entry DOI: 10.7270/Q26Q203T
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM24800 ((3R,4S)-3-hydroxy-2,2-dimethyl-4-(prop-2-en-1-ylam...) Show SMILES CC1(C)OC2=C([C@H](NCC=C)[C@H]1O)C(=O)c1ccccc1C2=O |r,c:4| Show InChI InChI=1S/C18H19NO4/c1-4-9-19-13-12-14(20)10-7-5-6-8-11(10)15(21)16(12)23-18(2,3)17(13)22/h4-8,13,17,19,22H,1,9H2,2-3H3/t13-,17+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	183	n/a	n/a	n/a	n/a	n/a	n/a
Bryn Mawr College					Assay Description The IC50 inhibition assays were performed in a 96-well microtiter plate format using purified recombinant IDO, which was added to the substrate, L-tr...				J Med Chem 51: 1706-18 (2008) Article DOI: 10.1021/jm7014155 BindingDB Entry DOI: 10.7270/Q2VD6WSV
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM24799 ((3S,4S)-3-hydroxy-2,2-dimethyl-4-(prop-2-en-1-ylam...) Show SMILES CC1(C)OC2=C([C@H](NCC=C)[C@@H]1O)C(=O)c1ccccc1C2=O |r,c:4| Show InChI InChI=1S/C18H19NO4/c1-4-9-19-13-12-14(20)10-7-5-6-8-11(10)15(21)16(12)23-18(2,3)17(13)22/h4-8,13,17,19,22H,1,9H2,2-3H3/t13-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	186	n/a	n/a	n/a	n/a	n/a	n/a
Bryn Mawr College					Assay Description The IC50 inhibition assays were performed in a 96-well microtiter plate format using purified recombinant IDO, which was added to the substrate, L-tr...				J Med Chem 51: 1706-18 (2008) Article DOI: 10.1021/jm7014155 BindingDB Entry DOI: 10.7270/Q2VD6WSV
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM24788 (6-hydroxy-2,2-dimethyl-2H,5H,10H-benzo[g]chromene-...) Show SMILES CC1(C)OC2=C(C=C1)C(=O)c1c(O)cccc1C2=O |c:4,6| Show InChI InChI=1S/C15H12O4/c1-15(2)7-6-9-12(17)11-8(4-3-5-10(11)16)13(18)14(9)19-15/h3-7,16H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	6.5	37
Bryn Mawr College					Assay Description The IC50 inhibition assays were performed in a 96-well microtiter plate format using purified recombinant IDO, which was added to the substrate, L-tr...				J Med Chem 51: 1706-18 (2008) Article DOI: 10.1021/jm7014155 BindingDB Entry DOI: 10.7270/Q2VD6WSV
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50146460 (CHEMBL3763688) Show SMILES Cl.NOCc1ccc(I)cc1 Show InChI InChI=1S/C7H8INO.ClH/c8-7-3-1-6(2-4-7)5-10-9;/h1-4H,5,9H2;1H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Bryn Mawr College Curated by ChEMBL					Assay Description Inhibition of recombinant human IDO1 assessed as reduction in kynurenine production using L-tryptophan as substrate after 60 mins by microplate reade...				Eur J Med Chem 108: 564-76 (2016) Article DOI: 10.1016/j.ejmech.2015.12.028 BindingDB Entry DOI: 10.7270/Q26Q203T
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM24786 (2,2-dimethyl-2H,5H,10H-benzo[g]chromene-5,10-dione...) Show SMILES CC1(C)OC2=C(C=C1)C(=O)c1ccccc1C2=O |c:4,6| Show InChI InChI=1S/C15H12O3/c1-15(2)8-7-11-12(16)9-5-3-4-6-10(9)13(17)14(11)18-15/h3-8H,1-2H3	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	214	n/a	n/a	n/a	n/a	6.5	37
Bryn Mawr College					Assay Description The IC50 inhibition assays were performed in a 96-well microtiter plate format using purified recombinant IDO, which was added to the substrate, L-tr...				J Med Chem 51: 1706-18 (2008) Article DOI: 10.1021/jm7014155 BindingDB Entry DOI: 10.7270/Q2VD6WSV
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50444455 (CHEBI:27924 | Phenylhydrazine) Show SMILES NNc1ccccc1 Show InChI InChI=1S/C6H8N2/c7-8-6-4-2-1-3-5-6/h1-5,8H,7H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Bryn Mawr College Curated by ChEMBL					Assay Description Inhibition of recombinant human IDO1 assessed as reduction in kynurenine production using L-tryptophan as substrate after 60 mins by microplate reade...				Eur J Med Chem 108: 564-76 (2016) Article DOI: 10.1016/j.ejmech.2015.12.028 BindingDB Entry DOI: 10.7270/Q26Q203T
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM24787 (Pyranonaphthoquinone derivative, 24 | methyl 2-met...) Show SMILES COC(=O)C1(C)OC2=C(C=C1)C(=O)c1ccccc1C2=O |c:7,9| Show InChI InChI=1S/C16H12O5/c1-16(15(19)20-2)8-7-11-12(17)9-5-3-4-6-10(9)13(18)14(11)21-16/h3-8H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	247	n/a	n/a	n/a	n/a	6.5	37
Bryn Mawr College					Assay Description The IC50 inhibition assays were performed in a 96-well microtiter plate format using purified recombinant IDO, which was added to the substrate, L-tr...				J Med Chem 51: 1706-18 (2008) Article DOI: 10.1021/jm7014155 BindingDB Entry DOI: 10.7270/Q2VD6WSV
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM24798 ((3R,4S)-4-(benzylamino)-3-hydroxy-2,2-dimethyl-2H,...) Show SMILES CC1(C)OC2=C([C@H](NCc3ccccc3)[C@H]1O)C(=O)c1ccccc1C2=O |r,c:4| Show InChI InChI=1S/C22H21NO4/c1-22(2)21(26)17(23-12-13-8-4-3-5-9-13)16-18(24)14-10-6-7-11-15(14)19(25)20(16)27-22/h3-11,17,21,23,26H,12H2,1-2H3/t17-,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	252	n/a	n/a	n/a	n/a	n/a	n/a
Bryn Mawr College					Assay Description The IC50 inhibition assays were performed in a 96-well microtiter plate format using purified recombinant IDO, which was added to the substrate, L-tr...				J Med Chem 51: 1706-18 (2008) Article DOI: 10.1021/jm7014155 BindingDB Entry DOI: 10.7270/Q2VD6WSV
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM24774 (2,3-dichloro-1,4-dihydronaphthalene-1,4-dione | 2,...) Show SMILES ClC1=C(Cl)C(=O)c2ccccc2C1=O |c:1| Show InChI InChI=1S/C10H4Cl2O2/c11-7-8(12)10(14)6-4-2-1-3-5(6)9(7)13/h1-4H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	6.5	37
Bryn Mawr College					Assay Description The IC50 inhibition assays were performed in a 96-well microtiter plate format using purified recombinant IDO, which was added to the substrate, L-tr...				J Med Chem 51: 1706-18 (2008) Article DOI: 10.1021/jm7014155 BindingDB Entry DOI: 10.7270/Q2VD6WSV
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50146461 (CHEMBL3765807) Show SMILES Cl.NOCc1cccc(Cl)c1 Show InChI InChI=1S/C7H8ClNO.ClH/c8-7-3-1-2-6(4-7)5-10-9;/h1-4H,5,9H2;1H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Bryn Mawr College Curated by ChEMBL					Assay Description Inhibition of recombinant human IDO1 assessed as reduction in kynurenine production using L-tryptophan as substrate after 60 mins by microplate reade...				Eur J Med Chem 108: 564-76 (2016) Article DOI: 10.1016/j.ejmech.2015.12.028 BindingDB Entry DOI: 10.7270/Q26Q203T
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50146407 (CHEMBL3763469) Show SMILES Cl.NOCc1cccc(Br)c1 Show InChI InChI=1S/C7H8BrNO.ClH/c8-7-3-1-2-6(4-7)5-10-9;/h1-4H,5,9H2;1H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Bryn Mawr College Curated by ChEMBL					Assay Description Inhibition of recombinant human IDO1 assessed as reduction in kynurenine production using L-tryptophan as substrate after 60 mins by microplate reade...				Eur J Med Chem 108: 564-76 (2016) Article DOI: 10.1016/j.ejmech.2015.12.028 BindingDB Entry DOI: 10.7270/Q26Q203T
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM24785 ((2S)-2-amino-4-{[(1R)-1-[(carboxymethyl)carbamoyl]...) Show SMILES Cc1c(O)c2ccccc2c(O)c1SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O |r| Show InChI InChI=1S/C21H25N3O8S/c1-10-17(28)11-4-2-3-5-12(11)18(29)19(10)33-9-14(20(30)23-8-16(26)27)24-15(25)7-6-13(22)21(31)32/h2-5,13-14,28-29H,6-9,22H2,1H3,(H,23,30)(H,24,25)(H,26,27)(H,31,32)/t13-,14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG MMDB PC cid PC sid UniChem	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	6.5	37
Bryn Mawr College					Assay Description The IC50 inhibition assays were performed in a 96-well microtiter plate format using purified recombinant IDO, which was added to the substrate, L-tr...				J Med Chem 51: 1706-18 (2008) Article DOI: 10.1021/jm7014155 BindingDB Entry DOI: 10.7270/Q2VD6WSV
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50146409 (CHEMBL3764760) Show SMILES Cl.NOCc1cccc(I)c1 Show InChI InChI=1S/C7H8INO.ClH/c8-7-3-1-2-6(4-7)5-10-9;/h1-4H,5,9H2;1H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
Bryn Mawr College Curated by ChEMBL					Assay Description Inhibition of recombinant human IDO1 assessed as reduction in kynurenine production using L-tryptophan as substrate after 60 mins by microplate reade...				Eur J Med Chem 108: 564-76 (2016) Article DOI: 10.1016/j.ejmech.2015.12.028 BindingDB Entry DOI: 10.7270/Q26Q203T
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM24804 ((3R,4S)-3-hydroxy-2,2-dimethyl-4-(morpholin-4-yl)-...) Show SMILES CC1(C)OC2=C([C@@H]([C@H]1O)N1CCOCC1)C(=O)c1ccccc1C2=O |r,c:4| Show InChI InChI=1S/C19H21NO5/c1-19(2)18(23)14(20-7-9-24-10-8-20)13-15(21)11-5-3-4-6-12(11)16(22)17(13)25-19/h3-6,14,18,23H,7-10H2,1-2H3/t14-,18+/m0/s1	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	361	n/a	n/a	n/a	n/a	n/a	n/a
Bryn Mawr College					Assay Description The IC50 inhibition assays were performed in a 96-well microtiter plate format using purified recombinant IDO, which was added to the substrate, L-tr...				J Med Chem 51: 1706-18 (2008) Article DOI: 10.1021/jm7014155 BindingDB Entry DOI: 10.7270/Q2VD6WSV
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50146522 (CHEMBL3764803) Show SMILES Cl.NOCc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C8H8F3NO.ClH/c9-8(10,11)7-3-1-2-6(4-7)5-13-12;/h1-4H,5,12H2;1H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
Bryn Mawr College Curated by ChEMBL					Assay Description Inhibition of recombinant human IDO1 assessed as reduction in kynurenine production using L-tryptophan as substrate after 60 mins by microplate reade...				Eur J Med Chem 108: 564-76 (2016) Article DOI: 10.1016/j.ejmech.2015.12.028 BindingDB Entry DOI: 10.7270/Q26Q203T
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50146450 (CHEMBL3763307) Show SMILES Cl.NOCc1cccc(Cl)c1Cl Show InChI InChI=1S/C7H7Cl2NO.ClH/c8-6-3-1-2-5(4-11-10)7(6)9;/h1-3H,4,10H2;1H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
Bryn Mawr College Curated by ChEMBL					Assay Description Inhibition of recombinant human IDO1 assessed as reduction in kynurenine production using L-tryptophan as substrate after 60 mins by microplate reade...				Eur J Med Chem 108: 564-76 (2016) Article DOI: 10.1016/j.ejmech.2015.12.028 BindingDB Entry DOI: 10.7270/Q26Q203T
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50146451 (CHEMBL3763639) Show SMILES Cl.NOCc1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C8H7ClF3NO.ClH/c9-7-2-1-5(4-14-13)3-6(7)8(10,11)12;/h1-3H,4,13H2;1H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a	n/a
Bryn Mawr College Curated by ChEMBL					Assay Description Inhibition of recombinant human IDO1 assessed as reduction in kynurenine production using L-tryptophan as substrate after 60 mins by microplate reade...				Eur J Med Chem 108: 564-76 (2016) Article DOI: 10.1016/j.ejmech.2015.12.028 BindingDB Entry DOI: 10.7270/Q26Q203T
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM24811 ((3S,4R)-3-bromo-4-hydroxy-2,2-dimethyl-2H,3H,4H,5H...) Show SMILES CC1(C)OC2=C([C@@H](O)[C@@H]1Br)C(=O)c1ccccc1C2=O |r,c:4| Show InChI InChI=1S/C15H13BrO4/c1-15(2)14(16)12(19)9-10(17)7-5-3-4-6-8(7)11(18)13(9)20-15/h3-6,12,14,19H,1-2H3/t12-,14+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	512	n/a	n/a	n/a	n/a	n/a	n/a
Bryn Mawr College					Assay Description The IC50 inhibition assays were performed in a 96-well microtiter plate format using purified recombinant IDO, which was added to the substrate, L-tr...				J Med Chem 51: 1706-18 (2008) Article DOI: 10.1021/jm7014155 BindingDB Entry DOI: 10.7270/Q2VD6WSV
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50146452 (CHEMBL3763481) Show SMILES Cl.NOCc1cc(ccc1F)C(F)(F)F Show InChI InChI=1S/C8H7F4NO.ClH/c9-7-2-1-6(8(10,11)12)3-5(7)4-14-13;/h1-3H,4,13H2;1H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	570	n/a	n/a	n/a	n/a	n/a	n/a
Bryn Mawr College Curated by ChEMBL					Assay Description Inhibition of recombinant human IDO1 assessed as reduction in kynurenine production using L-tryptophan as substrate after 60 mins by microplate reade...				Eur J Med Chem 108: 564-76 (2016) Article DOI: 10.1016/j.ejmech.2015.12.028 BindingDB Entry DOI: 10.7270/Q26Q203T
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50146523 (CHEMBL3765088) Show SMILES Cl.NOCc1ccccc1I Show InChI InChI=1S/C7H8INO.ClH/c8-7-4-2-1-3-6(7)5-10-9;/h1-4H,5,9H2;1H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	570	n/a	n/a	n/a	n/a	n/a	n/a
Bryn Mawr College Curated by ChEMBL					Assay Description Inhibition of recombinant human IDO1 assessed as reduction in kynurenine production using L-tryptophan as substrate after 60 mins by microplate reade...				Eur J Med Chem 108: 564-76 (2016) Article DOI: 10.1016/j.ejmech.2015.12.028 BindingDB Entry DOI: 10.7270/Q26Q203T
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50146525 (CHEMBL3765142) Show SMILES Cl.NOCc1ccccc1Cl Show InChI InChI=1S/C7H8ClNO.ClH/c8-7-4-2-1-3-6(7)5-10-9;/h1-4H,5,9H2;1H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
Bryn Mawr College Curated by ChEMBL					Assay Description Inhibition of recombinant human IDO1 assessed as reduction in kynurenine production using L-tryptophan as substrate after 60 mins by microplate reade...				Eur J Med Chem 108: 564-76 (2016) Article DOI: 10.1016/j.ejmech.2015.12.028 BindingDB Entry DOI: 10.7270/Q26Q203T
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50146521 (CHEMBL3764703) Show SMILES Cl.NOCc1ccc(Cl)cc1Cl Show InChI InChI=1S/C7H7Cl2NO.ClH/c8-6-2-1-5(4-11-10)7(9)3-6;/h1-3H,4,10H2;1H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
Bryn Mawr College Curated by ChEMBL					Assay Description Inhibition of recombinant human IDO1 assessed as reduction in kynurenine production using L-tryptophan as substrate after 60 mins by microplate reade...				Eur J Med Chem 108: 564-76 (2016) Article DOI: 10.1016/j.ejmech.2015.12.028 BindingDB Entry DOI: 10.7270/Q26Q203T
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM24775 (2-methoxy-1,4-dihydronaphthalene-1,4-dione | 2-met...) Show SMILES COC1=CC(=O)c2ccccc2C1=O |t:2| Show InChI InChI=1S/C11H8O3/c1-14-10-6-9(12)7-4-2-3-5-8(7)11(10)13/h2-6H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	720	n/a	n/a	n/a	n/a	6.5	37
Bryn Mawr College					Assay Description The IC50 inhibition assays were performed in a 96-well microtiter plate format using purified recombinant IDO, which was added to the substrate, L-tr...				J Med Chem 51: 1706-18 (2008) Article DOI: 10.1021/jm7014155 BindingDB Entry DOI: 10.7270/Q2VD6WSV
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50146520 (CHEMBL3763690) Show SMILES Cl.NOCc1ccc(I)cc1Cl Show InChI InChI=1S/C7H7ClINO.ClH/c8-7-3-6(9)2-1-5(7)4-11-10;/h1-3H,4,10H2;1H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	730	n/a	n/a	n/a	n/a	n/a	n/a
Bryn Mawr College Curated by ChEMBL					Assay Description Inhibition of recombinant human IDO1 assessed as reduction in kynurenine production using L-tryptophan as substrate after 60 mins by microplate reade...				Eur J Med Chem 108: 564-76 (2016) Article DOI: 10.1016/j.ejmech.2015.12.028 BindingDB Entry DOI: 10.7270/Q26Q203T
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50146579 (Benzyl-O-Hydroxylamine | CHEMBL443652 | O-Benzylhy...) Show SMILES NOCc1ccccc1 Show InChI InChI=1S/C7H9NO/c8-9-6-7-4-2-1-3-5-7/h1-5H,6,8H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	810	n/a	n/a	n/a	n/a	n/a	n/a
Bryn Mawr College Curated by ChEMBL					Assay Description Inhibition of recombinant human IDO1 assessed as reduction in kynurenine production using L-tryptophan as substrate after 60 mins by microplate reade...				Eur J Med Chem 108: 564-76 (2016) Article DOI: 10.1016/j.ejmech.2015.12.028 BindingDB Entry DOI: 10.7270/Q26Q203T
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM24784 ((2S)-2-amino-4-{[(1R)-1-[(carboxymethyl)carbamoyl]...) Show SMILES CC1=C(SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O)C(=O)c2ccccc2C1=O |r,c:1| Show InChI InChI=1S/C21H23N3O8S/c1-10-17(28)11-4-2-3-5-12(11)18(29)19(10)33-9-14(20(30)23-8-16(26)27)24-15(25)7-6-13(22)21(31)32/h2-5,13-14H,6-9,22H2,1H3,(H,23,30)(H,24,25)(H,26,27)(H,31,32)/t13-,14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	880	n/a	n/a	n/a	n/a	6.5	37
Bryn Mawr College					Assay Description The IC50 inhibition assays were performed in a 96-well microtiter plate format using purified recombinant IDO, which was added to the substrate, L-tr...				J Med Chem 51: 1706-18 (2008) Article DOI: 10.1021/jm7014155 BindingDB Entry DOI: 10.7270/Q2VD6WSV
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50146519 (CHEMBL3764853) Show SMILES Cl.NOCc1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C7H7Cl2NO.ClH/c8-6-1-5(4-11-10)2-7(9)3-6;/h1-3H,4,10H2;1H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Bryn Mawr College Curated by ChEMBL					Assay Description Inhibition of recombinant human IDO1 assessed as reduction in kynurenine production using L-tryptophan as substrate after 60 mins by microplate reade...				Eur J Med Chem 108: 564-76 (2016) Article DOI: 10.1016/j.ejmech.2015.12.028 BindingDB Entry DOI: 10.7270/Q26Q203T
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM24793 (8-methoxy-2,2-dimethyl-2H,5H,10H-benzo[g]chromene-...) Show SMILES COc1ccc2C(=O)C3=C(OC(C)(C)C=C3)C(=O)c2c1 |c:14,t:8| Show InChI InChI=1S/C16H14O4/c1-16(2)7-6-11-13(17)10-5-4-9(19-3)8-12(10)14(18)15(11)20-16/h4-8H,1-3H3	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	933	n/a	n/a	n/a	n/a	6.5	37
Bryn Mawr College					Assay Description The IC50 inhibition assays were performed in a 96-well microtiter plate format using purified recombinant IDO, which was added to the substrate, L-tr...				J Med Chem 51: 1706-18 (2008) Article DOI: 10.1021/jm7014155 BindingDB Entry DOI: 10.7270/Q2VD6WSV
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM24805 ((3S,4S)-3-hydroxy-4-methoxy-2,2-dimethyl-2H,3H,4H,...) Show SMILES CO[C@@H]1[C@H](O)C(C)(C)OC2=C1C(=O)c1ccccc1C2=O |r,c:9| Show InChI InChI=1S/C16H16O5/c1-16(2)15(19)14(20-3)10-11(17)8-6-4-5-7-9(8)12(18)13(10)21-16/h4-7,14-15,19H,1-3H3/t14-,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	976	n/a	n/a	n/a	n/a	n/a	n/a
Bryn Mawr College					Assay Description The IC50 inhibition assays were performed in a 96-well microtiter plate format using purified recombinant IDO, which was added to the substrate, L-tr...				J Med Chem 51: 1706-18 (2008) Article DOI: 10.1021/jm7014155 BindingDB Entry DOI: 10.7270/Q2VD6WSV
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50146526 (CHEMBL3765396) Show SMILES Cl.NOCc1ccc(F)cc1 Show InChI InChI=1S/C7H8FNO.ClH/c8-7-3-1-6(2-4-7)5-10-9;/h1-4H,5,9H2;1H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	980	n/a	n/a	n/a	n/a	n/a	n/a
Bryn Mawr College Curated by ChEMBL					Assay Description Inhibition of recombinant human IDO1 assessed as reduction in kynurenine production using L-tryptophan as substrate after 60 mins by microplate reade...				Eur J Med Chem 108: 564-76 (2016) Article DOI: 10.1016/j.ejmech.2015.12.028 BindingDB Entry DOI: 10.7270/Q26Q203T
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM24776 (1,4-Naphthoquinone | 1,4-Naphthoquinone (5a) | 1,4...) Show SMILES O=C1C=CC(=O)c2ccccc12 |c:2| Show InChI InChI=1S/C10H6O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	990	n/a	n/a	n/a	n/a	6.5	37
Bryn Mawr College					Assay Description The IC50 inhibition assays were performed in a 96-well microtiter plate format using purified recombinant IDO, which was added to the substrate, L-tr...				J Med Chem 51: 1706-18 (2008) Article DOI: 10.1021/jm7014155 BindingDB Entry DOI: 10.7270/Q2VD6WSV
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50146408 (CHEMBL3764504) Show SMILES Cl.NOCc1cccc(F)c1 Show InChI InChI=1S/C7H8FNO.ClH/c8-7-3-1-2-6(4-7)5-10-9;/h1-4H,5,9H2;1H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bryn Mawr College Curated by ChEMBL					Assay Description Inhibition of recombinant human IDO1 assessed as reduction in kynurenine production using L-tryptophan as substrate after 60 mins by microplate reade...				Eur J Med Chem 108: 564-76 (2016) Article DOI: 10.1016/j.ejmech.2015.12.028 BindingDB Entry DOI: 10.7270/Q26Q203T
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM24777 (5-hydroxy-1,4-dihydronaphthalene-1,4-dione | 5-hyd...) Show SMILES Oc1cccc2C(=O)C=CC(=O)c12 |c:8| Show InChI InChI=1S/C10H6O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-5,12H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	6.5	37
Bryn Mawr College					Assay Description The IC50 inhibition assays were performed in a 96-well microtiter plate format using purified recombinant IDO, which was added to the substrate, L-tr...				J Med Chem 51: 1706-18 (2008) Article DOI: 10.1021/jm7014155 BindingDB Entry DOI: 10.7270/Q2VD6WSV
					More data for this Ligand-Target Pair

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