Compile Data Set for Download or QSAR

Found 19 hits of non-affinity data for polymerid = 2230   

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))	BDBM21978 (1H-indol-4-ol | 4-hydroxyindole, 18) Show SMILES Oc1cccc2[nH]ccc12 Show InChI InChI=1S/C8H7NO/c10-8-3-1-2-7-6(8)4-5-9-7/h1-5,9-10H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	6.5	37
University of British Columbia					Assay Description The ability of the compounds prepared in this study to inhibit purified recombinant human IDO was evaluated with a steady state spectrophotometric as...				J Med Chem 51: 2634-7 (2008) Article DOI: 10.1021/jm800143h BindingDB Entry DOI: 10.7270/Q2MK6B65
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM24684 (3-(furan-2-yl)pyridine | 3-furan-2-ylpyridine, 36) Show SMILES c1coc(c1)-c1cccnc1 Show InChI InChI=1S/C9H7NO/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1-7H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	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: 4968-77 (2008) Article DOI: 10.1021/jm800512z BindingDB Entry DOI: 10.7270/Q2154FB1
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM22774 (1,4-Benzoquinone | Benzil-related compound, 53 | C...) Show SMILES O=C1C=CC(=O)C=C1 |c:2,6| Show InChI InChI=1S/C6H4O2/c7-5-1-2-6(8)4-3-5/h1-4H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	n/a	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))	BDBM24780 (2-methyl-1,4-benzoquinone, 9 | 2-methylcyclohexa-2...) Show SMILES CC1=CC(=O)C=CC1=O |c:5,t:1| Show InChI InChI=1S/C7H6O2/c1-5-4-6(8)2-3-7(5)9/h2-4H,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	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))	BDBM24781 (2-phenyl-1,4-benzoquinone, 10 | 2-phenylcyclohexa-...) Show SMILES O=C1C=CC(=O)C(=C1)c1ccccc1 |c:2,6| Show InChI InChI=1S/C12H8O2/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h1-8H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	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))	BDBM24782 (2-methyl-3-[(2E,7R,11R)-3,7,11,15-tetramethylhexad...) Show SMILES CC(C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)=CCC1=C(C)C(=O)c2ccccc2C1=O |w:18.18,c:20| Show InChI InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/t23-,24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	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))	BDBM24783 (4H-chromen-4-one | chromone, 12) Show SMILES O=c1ccoc2ccccc12 Show InChI InChI=1S/C9H6O2/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-6H	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	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))	BDBM24831 (1-(1H-indol-3-ylmethyl)-3-methylthiourea | thioure...) Show SMILES CNC(=S)NCc1c[nH]c2ccccc12 Show InChI InChI=1S/C11H13N3S/c1-12-11(15)14-7-8-6-13-10-5-3-2-4-9(8)10/h2-6,13H,7H2,1H3,(H2,12,14,15)	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	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 49: 684-92 (2006) Article DOI: 10.1021/jm0508888 BindingDB Entry DOI: 10.7270/Q2QR4VDZ
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM24833 (N-(1H-indol-3-ylmethyl)(methylsulfanyl)formamide |...) Show SMILES CSC(=O)NCc1c[nH]c2ccccc12 Show InChI InChI=1S/C11H12N2OS/c1-15-11(14)13-7-8-6-12-10-5-3-2-4-9(8)10/h2-6,12H,7H2,1H3,(H,13,14)	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	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 49: 684-92 (2006) Article DOI: 10.1021/jm0508888 BindingDB Entry DOI: 10.7270/Q2QR4VDZ
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM24657 (1-methyl-4-phenyl-1H-imidazole | 4-phenylimidazole...) Show SMILES Cn1cnc(c1)-c1ccccc1 Show InChI InChI=1S/C10H10N2/c1-12-7-10(11-8-12)9-5-3-2-4-6-9/h2-8H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	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
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM24658 (1-benzyl-4-phenyl-1H-imidazole | 4-phenylimidazole...) Show SMILES C(c1ccccc1)n1cnc(c1)-c1ccccc1 Show InChI InChI=1S/C16H14N2/c1-3-7-14(8-4-1)11-18-12-16(17-13-18)15-9-5-2-6-10-15/h1-10,12-13H,11H2	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	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
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM24659 (2-(4-phenyl-1H-imidazol-1-yl)ethan-1-amine | 4-phe...) Show SMILES NCCn1cnc(c1)-c1ccccc1 Show InChI InChI=1S/C11H13N3/c12-6-7-14-8-11(13-9-14)10-4-2-1-3-5-10/h1-5,8-9H,6-7,12H2	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	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
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM24660 (3-(4-phenyl-1H-imidazol-1-yl)propan-1-amine | 4-ph...) Show SMILES NCCCn1cnc(c1)-c1ccccc1 Show InChI InChI=1S/C12H15N3/c13-7-4-8-15-9-12(14-10-15)11-5-2-1-3-6-11/h1-3,5-6,9-10H,4,7-8,13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	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
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM24661 ((4-phenyl-1H-imidazol-2-yl)methanol | 4-phenylimid...) Show SMILES OCc1nc(c[nH]1)-c1ccccc1 Show InChI InChI=1S/C10H10N2O/c13-7-10-11-6-9(12-10)8-4-2-1-3-5-8/h1-6,13H,7H2,(H,11,12)	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	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
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM24662 (4-phenylimidazole (4-PI) derivative, 30 | methyl[(...) Show SMILES CNCc1nc(c[nH]1)-c1ccccc1 Show InChI InChI=1S/C11H13N3/c1-12-8-11-13-7-10(14-11)9-5-3-2-4-6-9/h2-7,12H,8H2,1H3,(H,13,14)	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	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
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM24682 (5-phenyl-1,3-thiazole | 5-phenyl-1,3-thiazole, 34) Show SMILES c1ncc(s1)-c1ccccc1 Show InChI InChI=1S/C9H7NS/c1-2-4-8(5-3-1)9-6-10-7-11-9/h1-7H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	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
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM16215 (4-phenyl-1H-pyrazole | CHEMBL390066 | JMC514968 Co...) Show SMILES c1n[nH]cc1-c1ccccc1 Show InChI InChI=1S/C9H8N2/c1-2-4-8(5-3-1)9-6-10-11-7-9/h1-7H,(H,10,11)	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	n/a	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
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM12357 (3-(1H-imidazol-4-yl)pyridine | CHEMBL178516 | JMC5...) Show SMILES c1nc(c[nH]1)-c1cccnc1 Show InChI InChI=1S/C8H7N3/c1-2-7(4-9-3-1)8-5-10-6-11-8/h1-6H,(H,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	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: 4968-77 (2008) Article DOI: 10.1021/jm800512z BindingDB Entry DOI: 10.7270/Q2154FB1
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM21983 (3-(2-aminoethyl)-5,10-diphenyl-1H,4H,11H-anthracen...) Show SMILES NCCc1c[nH]c2c1C(=O)c1c(C2=O)c(-c2ccccc2)c2ccccc2c1-c1ccccc1 Show InChI InChI=1S/C30H22N2O2/c31-16-15-20-17-32-28-25(20)29(33)26-23(18-9-3-1-4-10-18)21-13-7-8-14-22(21)24(27(26)30(28)34)19-11-5-2-6-12-19/h1-14,17,32H,15-16,31H2	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	n/a	n/a	n/a	n/a	6.5	37
University of British Columbia					Assay Description The ability of the compounds prepared in this study to inhibit purified recombinant human IDO was evaluated with a steady state spectrophotometric as...				J Med Chem 51: 2634-7 (2008) Article DOI: 10.1021/jm800143h BindingDB Entry DOI: 10.7270/Q2MK6B65
					More data for this Ligand-Target Pair