Compile Data Set for Download or QSAR

Found 24 hits Enz. Inhib. hit(s) with all data for entry = 2803   

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))	BDBM24828 (Brassinin derivative, 16 | N-[2-(1H-indol-3-yl)eth...) Show SMILES S=C(NCCc1c[nH]c2ccccc12)SCc1ccc2ccccc2c1 Show InChI InChI=1S/C22H20N2S2/c25-22(23-12-11-19-14-24-21-8-4-3-7-20(19)21)26-15-16-9-10-17-5-1-2-6-18(17)13-16/h1-10,13-14,24H,11-12,15H2,(H,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1.16E+4	-29.3	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))	BDBM24825 ((benzylsulfanyl)-N-(1H-indol-3-ylmethyl)carbothioa...) Show SMILES S=C(NCc1c[nH]c2ccccc12)SCc1ccccc1 Show InChI InChI=1S/C17H16N2S2/c20-17(21-12-13-6-2-1-3-7-13)19-11-14-10-18-16-9-5-4-8-15(14)16/h1-10,18H,11-12H2,(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1.32E+4	-29.0	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))	BDBM24827 ((benzylsulfanyl)-N-[2-(1H-indol-3-yl)ethyl]carboth...) Show SMILES S=C(NCCc1c[nH]c2ccccc12)SCc1ccccc1 Show InChI InChI=1S/C18H18N2S2/c21-18(22-13-14-6-2-1-3-7-14)19-11-10-15-12-20-17-9-5-4-8-16(15)17/h1-9,12,20H,10-11,13H2,(H,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1.72E+4	-28.3	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))	BDBM24830 (Brassinin derivative, 18 | N-[2-(1H-indol-3-yl)eth...) Show SMILES S=C(NCCc1c[nH]c2ccccc12)SCc1ccncc1 Show InChI InChI=1S/C17H17N3S2/c21-17(22-12-13-5-8-18-9-6-13)19-10-7-14-11-20-16-4-2-1-3-15(14)16/h1-6,8-9,11,20H,7,10,12H2,(H,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.05E+4	-27.8	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))	BDBM24829 (Brassinin derivative, 17 | N-[2-(1H-indol-3-yl)eth...) Show SMILES S=C(NCCc1c[nH]c2ccccc12)SCc1cccnc1 Show InChI InChI=1S/C17H17N3S2/c21-17(22-12-13-4-3-8-18-10-13)19-9-7-14-11-20-16-6-2-1-5-15(14)16/h1-6,8,10-11,20H,7,9,12H2,(H,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.84E+4	-27.0	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))	BDBM24816 (Brassinin derivative, 4 | N-[3-(1H-indol-3-yl)prop...) Show SMILES CSC(=S)NCCCc1c[nH]c2ccccc12 Show InChI InChI=1S/C13H16N2S2/c1-17-13(16)14-8-4-5-10-9-15-12-7-3-2-6-11(10)12/h2-3,6-7,9,15H,4-5,8H2,1H3,(H,14,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.40E+4	-26.5	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))	BDBM24824 (Brassinin derivative, 12 | N-(1H-indol-3-ylmethyl)...) Show SMILES C=CCSC(=S)NCc1c[nH]c2ccccc12 Show InChI InChI=1S/C13H14N2S2/c1-2-7-17-13(16)15-9-10-8-14-12-6-4-3-5-11(10)12/h2-6,8,14H,1,7,9H2,(H,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	3.70E+4	-26.3	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))	BDBM24815 (Brassinin derivative, 3 | N-[2-(1-benzothiophen-3-...) Show SMILES CSC(=S)NCCc1csc2ccccc12 Show InChI InChI=1S/C12H13NS3/c1-15-12(14)13-7-6-9-8-16-11-5-3-2-4-10(9)11/h2-5,8H,6-7H2,1H3,(H,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	4.10E+4	-26.1	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))	BDBM24817 (Brassinin derivative, 5 | N-(2,3-dihydro-1H-inden-...) Show SMILES CSC(=S)NC1Cc2ccccc2C1 Show InChI InChI=1S/C11H13NS2/c1-14-11(13)12-10-6-8-4-2-3-5-9(8)7-10/h2-5,10H,6-7H2,1H3,(H,12,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	4.21E+4	-26.0	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))	BDBM24819 ((methylsulfanyl)-N-(naphthalen-2-ylmethyl)carbothi...) Show SMILES CSC(=S)NCc1ccc2ccccc2c1 Show InChI InChI=1S/C13H13NS2/c1-16-13(15)14-9-10-6-7-11-4-2-3-5-12(11)8-10/h2-8H,9H2,1H3,(H,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.76E+4	-25.7	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))	BDBM24821 ((methylsulfanyl)-N-(2-phenylethyl)carbothioamide |...) Show SMILES CSC(=S)NCCc1ccccc1 Show InChI InChI=1S/C10H13NS2/c1-13-10(12)11-8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(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	6.24E+4	-25.0	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))	BDBM24820 (Brassinin derivative, 8 | N-benzyl(methylsulfanyl)...) Show SMILES CSC(=S)NCc1ccccc1 Show InChI InChI=1S/C9H11NS2/c1-12-9(11)10-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	7.24E+4	-24.6	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))	BDBM24814 (Brassinin derivative, 2 | N-[2-(1H-indol-3-yl)ethy...) Show SMILES CSC(=S)NCCc1c[nH]c2ccccc12 Show InChI InChI=1S/C12H14N2S2/c1-16-12(15)13-7-6-9-8-14-11-5-3-2-4-10(9)11/h2-5,8,14H,6-7H2,1H3,(H,13,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8.25E+4	-24.2	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))	BDBM24813 (Brassinin, 1 | N-(1H-indol-3-ylmethyl)(methylsulfa...) Show SMILES CSC(=S)NCc1c[nH]c2ccccc12 Show InChI InChI=1S/C11H12N2S2/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	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	9.77E+4	-23.8	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))	BDBM24822 (Brassinin derivative, 10 | N-[2-(4-fluorophenyl)et...) Show SMILES CSC(=S)NCCc1ccc(F)cc1 Show InChI InChI=1S/C10H12FNS2/c1-14-10(13)12-7-6-8-2-4-9(11)5-3-8/h2-5H,6-7H2,1H3,(H,12,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.49E+5	-22.7	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))	BDBM24818 (Brassinin derivative, 6 | N-(adamantan-2-yl)(methy...) Show SMILES CSC(=S)NC1C2CC3CC(C2)CC1C3 |TLB:4:5:8.7.14:10.11.12,14:13:9.8.7:11,THB:4:5:9.8.7:11,9:8:5:10.11.12,9:10:5:8.7.14,14:8:11:5.13.12,(2.8,2.34,;1.58,1.4,;.16,1.97,;-.06,3.5,;-1.06,1.02,;-2.48,1.6,;-2.8,.35,;-4.35,.27,;-6.36,1.56,;-7.42,.47,;-5.99,.53,;-3.89,-.74,;-5.45,2.65,;-4.01,3.05,;-6.03,2.85,)| Show InChI InChI=1S/C12H19NS2/c1-15-12(14)13-11-9-3-7-2-8(5-9)6-10(11)4-7/h7-11H,2-6H2,1H3,(H,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.80E+5	-22.2	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))	BDBM24834 (N-(1H-indol-3-ylmethyl)propanethioamide | thioamid...) Show SMILES CCC(=S)NCc1c[nH]c2ccccc12 Show InChI InChI=1S/C12H14N2S/c1-2-12(15)14-8-9-7-13-11-6-4-3-5-10(9)11/h3-7,13H,2,8H2,1H3,(H,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.02E+5	-21.9	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))	BDBM24836 (4-(1H-indol-3-ylmethyl)-2-methyl-1,3-thiazole | th...) Show SMILES Cc1nc(Cc2c[nH]c3ccccc23)cs1 Show InChI InChI=1S/C13H12N2S/c1-9-15-11(8-16-9)6-10-7-14-13-5-3-2-4-12(10)13/h2-5,7-8,14H,6H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.29E+5	-20.7	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))	BDBM24832 (1-[2-(1H-indol-3-yl)ethyl]-3-methylthiourea | thio...) Show SMILES CNC(=S)NCCc1c[nH]c2ccccc12 Show InChI InChI=1S/C12H15N3S/c1-13-12(16)14-7-6-9-8-15-11-5-3-2-4-10(9)11/h2-5,8,15H,6-7H2,1H3,(H2,13,14,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	3.42E+5	-20.6	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))	BDBM24826 ((hexylsulfanyl)-N-(1H-indol-3-ylmethyl)carbothioam...) Show SMILES CCCCCCSC(=S)NCc1c[nH]c2ccccc12 Show InChI InChI=1S/C16H22N2S2/c1-2-3-4-7-10-20-16(19)18-12-13-11-17-15-9-6-5-8-14(13)15/h5-6,8-9,11,17H,2-4,7,10,12H2,1H3,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.64E+5	-20.4	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))	BDBM24823 (Brassinin derivative, 11 | N-methyl(methylsulfanyl...) Show SMILES CSC(=S)N(C)CCc1ccccc1 Show InChI InChI=1S/C11H15NS2/c1-12(11(13)14-2)9-8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.27E+6	-17.2	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))	BDBM24835 (4-(1H-indol-3-ylmethyl)-1,3-thiazole | thiazole, 2...) Show SMILES C(c1cscn1)c1c[nH]c2ccccc12 Show InChI InChI=1S/C12H10N2S/c1-2-4-12-11(3-1)9(6-13-12)5-10-7-15-8-14-10/h1-4,6-8,13H,5H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.29E+6	-17.2	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))	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