Compile Data Set for Download or QSAR

Found 34 hits with Last Name = 'meng' and Initial = 'gr'   

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))	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	97	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant human IDO1 expressed in Escherichia coli				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126901 BindingDB Entry DOI: 10.7270/Q2F76H3W
					More data for this Ligand-Target Pair				3D Structure (crystal)
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50539489 (CHEMBL4640334) Show SMILES CCNCCc1c[nH]c2c1C(=O)C(=CC2=O)c1cccnc1 |c:13| Show InChI InChI=1S/C17H17N3O2/c1-2-18-7-5-12-10-20-16-14(21)8-13(17(22)15(12)16)11-4-3-6-19-9-11/h3-4,6,8-10,18,20H,2,5,7H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant human IDO1 expressed in Escherichia coli				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126901 BindingDB Entry DOI: 10.7270/Q2F76H3W
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50539495 (CHEMBL4639719) Show SMILES CN(C)CCc1c[nH]c2c1C(=O)C(=CC2=O)c1cccnc1 |c:13| Show InChI InChI=1S/C17H17N3O2/c1-20(2)7-5-12-10-19-16-14(21)8-13(17(22)15(12)16)11-4-3-6-18-9-11/h3-4,6,8-10,19H,5,7H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant human IDO1 expressed in Escherichia coli				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126901 BindingDB Entry DOI: 10.7270/Q2F76H3W
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50539490 (CHEMBL4636464) Show SMILES CC(C)NCCc1c[nH]c2c1C(=O)C(=CC2=O)c1cccnc1 |c:14| Show InChI InChI=1S/C18H19N3O2/c1-11(2)20-7-5-13-10-21-17-15(22)8-14(18(23)16(13)17)12-4-3-6-19-9-12/h3-4,6,8-11,20-21H,5,7H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant human IDO1 expressed in Escherichia coli				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126901 BindingDB Entry DOI: 10.7270/Q2F76H3W
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50539488 (CHEMBL4646335) Show SMILES NCCc1c[nH]c2c1C(=O)C(=CC2=O)c1cccnc1 |c:11| Show InChI InChI=1S/C15H13N3O2/c16-4-3-10-8-18-14-12(19)6-11(15(20)13(10)14)9-2-1-5-17-7-9/h1-2,5-8,18H,3-4,16H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant human IDO1 expressed in Escherichia coli				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126901 BindingDB Entry DOI: 10.7270/Q2F76H3W
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50539492 (CHEMBL4634284) Show SMILES CC(C)(C)CNCCc1c[nH]c2c1C(=O)C(=CC2=O)c1cccnc1 |c:16| Show InChI InChI=1S/C20H23N3O2/c1-20(2,3)12-22-8-6-14-11-23-18-16(24)9-15(19(25)17(14)18)13-5-4-7-21-10-13/h4-5,7,9-11,22-23H,6,8,12H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	560	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant human IDO1 expressed in Escherichia coli				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126901 BindingDB Entry DOI: 10.7270/Q2F76H3W
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50539498 (CHEMBL4643390) Show SMILES CC(C)(C)C(=O)NCCc1c[nH]c2c1C(=O)C(=CC2=O)c1cccnc1 |c:17| Show InChI InChI=1S/C20H21N3O3/c1-20(2,3)19(26)22-8-6-13-11-23-17-15(24)9-14(18(25)16(13)17)12-5-4-7-21-10-12/h4-5,7,9-11,23H,6,8H2,1-3H3,(H,22,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	770	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant human IDO1 expressed in Escherichia coli				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126901 BindingDB Entry DOI: 10.7270/Q2F76H3W
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50539491 (CHEMBL4642735) Show SMILES CCCCNCCc1c[nH]c2c1C(=O)C(=CC2=O)c1cccnc1 |c:15| Show InChI InChI=1S/C19H21N3O2/c1-2-3-7-20-9-6-14-12-22-18-16(23)10-15(19(24)17(14)18)13-5-4-8-21-11-13/h4-5,8,10-12,20,22H,2-3,6-7,9H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	880	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant human IDO1 expressed in Escherichia coli				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126901 BindingDB Entry DOI: 10.7270/Q2F76H3W
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50539497 (CHEMBL4646706) Show SMILES CC(=O)NCCc1c[nH]c2c1C(=O)C(=CC2=O)c1cccnc1 |c:14| Show InChI InChI=1S/C17H15N3O3/c1-10(21)19-6-4-12-9-20-16-14(22)7-13(17(23)15(12)16)11-3-2-5-18-8-11/h2-3,5,7-9,20H,4,6H2,1H3,(H,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.36E+3	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant human IDO1 expressed in Escherichia coli				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126901 BindingDB Entry DOI: 10.7270/Q2F76H3W
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50539493 (CHEMBL4641080) Show SMILES O=C1C=C(C(=O)c2c(CCNC3CCCCC3)c[nH]c12)c1cccnc1 |c:2| Show InChI InChI=1S/C21H23N3O2/c25-18-11-17(14-5-4-9-22-12-14)21(26)19-15(13-24-20(18)19)8-10-23-16-6-2-1-3-7-16/h4-5,9,11-13,16,23-24H,1-3,6-8,10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant human IDO1 expressed in Escherichia coli				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126901 BindingDB Entry DOI: 10.7270/Q2F76H3W
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50539487 (CHEMBL4648933) Show SMILES CC(C)(C)OC(=O)NCCc1c[nH]c2c1C(=O)C(=CC2=O)c1cccnc1 |c:18| Show InChI InChI=1S/C20H21N3O4/c1-20(2,3)27-19(26)22-8-6-13-11-23-17-15(24)9-14(18(25)16(13)17)12-5-4-7-21-10-12/h4-5,7,9-11,23H,6,8H2,1-3H3,(H,22,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant human IDO1 expressed in Escherichia coli				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126901 BindingDB Entry DOI: 10.7270/Q2F76H3W
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50539499 (CHEMBL4636140) Show SMILES O=C(NCCc1c[nH]c2c1C(=O)C(=CC2=O)c1cccnc1)c1ccccc1 |c:13| Show InChI InChI=1S/C22H17N3O3/c26-18-11-17(15-7-4-9-23-12-15)21(27)19-16(13-25-20(18)19)8-10-24-22(28)14-5-2-1-3-6-14/h1-7,9,11-13,25H,8,10H2,(H,24,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.08E+3	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant human IDO1 expressed in Escherichia coli				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126901 BindingDB Entry DOI: 10.7270/Q2F76H3W
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50539486 (CHEMBL4634576) Show SMILES CC(C)(C)OC(=O)NCCc1c[nH]c2c1C(=O)C(=CC2=O)c1ccccc1F |c:18| Show InChI InChI=1S/C21H21FN2O4/c1-21(2,3)28-20(27)23-9-8-12-11-24-18-16(25)10-14(19(26)17(12)18)13-6-4-5-7-15(13)22/h4-7,10-11,24H,8-9H2,1-3H3,(H,23,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.09E+3	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant human IDO1 expressed in Escherichia coli				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126901 BindingDB Entry DOI: 10.7270/Q2F76H3W
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50539496 (CHEMBL4634178) Show SMILES CCN(CC)CCc1c[nH]c2c1C(=O)C(=CC2=O)c1cccnc1 |c:15| Show InChI InChI=1S/C19H21N3O2/c1-3-22(4-2)9-7-14-12-21-18-16(23)10-15(19(24)17(14)18)13-6-5-8-20-11-13/h5-6,8,10-12,21H,3-4,7,9H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant human IDO1 expressed in Escherichia coli				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126901 BindingDB Entry DOI: 10.7270/Q2F76H3W
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50539485 (CHEMBL4643784) Show SMILES COc1ccccc1C1=CC(=O)c2[nH]cc(CCNC(=O)OC(C)(C)C)c2C1=O |t:9| Show InChI InChI=1S/C22H24N2O5/c1-22(2,3)29-21(27)23-10-9-13-12-24-19-16(25)11-15(20(26)18(13)19)14-7-5-6-8-17(14)28-4/h5-8,11-12,24H,9-10H2,1-4H3,(H,23,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.38E+3	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant human IDO1 expressed in Escherichia coli				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126901 BindingDB Entry DOI: 10.7270/Q2F76H3W
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50539484 (CHEMBL4639316) Show SMILES CC(C)(C)OC(=O)NCCc1c[nH]c2c1C(=O)C(=CC2=O)c1ccccc1 |c:18| Show InChI InChI=1S/C21H22N2O4/c1-21(2,3)27-20(26)22-10-9-14-12-23-18-16(24)11-15(19(25)17(14)18)13-7-5-4-6-8-13/h4-8,11-12,23H,9-10H2,1-3H3,(H,22,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.94E+3	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant human IDO1 expressed in Escherichia coli				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126901 BindingDB Entry DOI: 10.7270/Q2F76H3W
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50030791 (CHEMBL3342402) Show SMILES Cc1ccc(cc1)-c1csc2nnc(SCC(=O)Nc3ccc4OCOc4c3)n12 Show InChI InChI=1S/C20H16N4O3S2/c1-12-2-4-13(5-3-12)15-9-28-19-22-23-20(24(15)19)29-10-18(25)21-14-6-7-16-17(8-14)27-11-26-16/h2-9H,10-11H2,1H3,(H,21,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of human IDO1				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126901 BindingDB Entry DOI: 10.7270/Q2F76H3W
					More data for this Ligand-Target Pair				3D Structure (crystal)
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50539500 (CHEMBL4643658) Show SMILES O=C1C=C(C(=O)c2c(CCNS(=O)(=O)c3ccccc3)c[nH]c12)c1cccnc1 |c:2| Show InChI InChI=1S/C21H17N3O4S/c25-18-11-17(14-5-4-9-22-12-14)21(26)19-15(13-23-20(18)19)8-10-24-29(27,28)16-6-2-1-3-7-16/h1-7,9,11-13,23-24H,8,10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant human IDO1 expressed in Escherichia coli				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126901 BindingDB Entry DOI: 10.7270/Q2F76H3W
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50539494 (CHEMBL4635325) Show SMILES O=C1C=C(C(=O)c2c(CCNCCc3ccccc3)c[nH]c12)c1cccnc1 |c:2| Show InChI InChI=1S/C23H21N3O2/c27-20-13-19(17-7-4-10-25-14-17)23(28)21-18(15-26-22(20)21)9-12-24-11-8-16-5-2-1-3-6-16/h1-7,10,13-15,24,26H,8-9,11-12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant human IDO1 expressed in Escherichia coli				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126901 BindingDB Entry DOI: 10.7270/Q2F76H3W
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50539489 (CHEMBL4640334) Show SMILES CCNCCc1c[nH]c2c1C(=O)C(=CC2=O)c1cccnc1 |c:13| Show InChI InChI=1S/C17H17N3O2/c1-2-18-7-5-12-10-20-16-14(21)8-13(17(22)15(12)16)11-4-3-6-19-9-11/h3-4,6,8-10,18,20H,2,5,7H2,1H3	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	3.58E+3	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of IFNgamma-stimulated IDO1 in human HeLa cells				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126901 BindingDB Entry DOI: 10.7270/Q2F76H3W
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50539490 (CHEMBL4636464) Show SMILES CC(C)NCCc1c[nH]c2c1C(=O)C(=CC2=O)c1cccnc1 |c:14| Show InChI InChI=1S/C18H19N3O2/c1-11(2)20-7-5-13-10-21-17-15(22)8-14(18(23)16(13)17)12-4-3-6-19-9-12/h3-4,6,8-11,20-21H,5,7H2,1-2H3	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	2.60E+3	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of IFNgamma-stimulated IDO1 in human HeLa cells				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126901 BindingDB Entry DOI: 10.7270/Q2F76H3W
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50539491 (CHEMBL4642735) Show SMILES CCCCNCCc1c[nH]c2c1C(=O)C(=CC2=O)c1cccnc1 |c:15| Show InChI InChI=1S/C19H21N3O2/c1-2-3-7-20-9-6-14-12-22-18-16(23)10-15(19(24)17(14)18)13-5-4-8-21-11-13/h4-5,8,10-12,20,22H,2-3,6-7,9H2,1H3	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	2.72E+3	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of IFNgamma-stimulated IDO1 in human HeLa cells				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126901 BindingDB Entry DOI: 10.7270/Q2F76H3W
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50539492 (CHEMBL4634284) Show SMILES CC(C)(C)CNCCc1c[nH]c2c1C(=O)C(=CC2=O)c1cccnc1 |c:16| Show InChI InChI=1S/C20H23N3O2/c1-20(2,3)12-22-8-6-14-11-23-18-16(24)9-15(19(25)17(14)18)13-5-4-7-21-10-13/h4-5,7,9-11,22-23H,6,8,12H2,1-3H3	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	4.53E+3	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of IFNgamma-stimulated IDO1 in human HeLa cells				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126901 BindingDB Entry DOI: 10.7270/Q2F76H3W
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50539493 (CHEMBL4641080) Show SMILES O=C1C=C(C(=O)c2c(CCNC3CCCCC3)c[nH]c12)c1cccnc1 |c:2| Show InChI InChI=1S/C21H23N3O2/c25-18-11-17(14-5-4-9-22-12-14)21(26)19-15(13-24-20(18)19)8-10-23-16-6-2-1-3-7-16/h4-5,9,11-13,16,23-24H,1-3,6-8,10H2	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	2.54E+3	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of IFNgamma-stimulated IDO1 in human HeLa cells				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126901 BindingDB Entry DOI: 10.7270/Q2F76H3W
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50539494 (CHEMBL4635325) Show SMILES O=C1C=C(C(=O)c2c(CCNCCc3ccccc3)c[nH]c12)c1cccnc1 |c:2| Show InChI InChI=1S/C23H21N3O2/c27-20-13-19(17-7-4-10-25-14-17)23(28)21-18(15-26-22(20)21)9-12-24-11-8-16-5-2-1-3-6-16/h1-7,10,13-15,24,26H,8-9,11-12H2	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	>1.00E+4	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of IFNgamma-stimulated IDO1 in human HeLa cells				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126901 BindingDB Entry DOI: 10.7270/Q2F76H3W
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50539495 (CHEMBL4639719) Show SMILES CN(C)CCc1c[nH]c2c1C(=O)C(=CC2=O)c1cccnc1 |c:13| Show InChI InChI=1S/C17H17N3O2/c1-20(2)7-5-12-10-19-16-14(21)8-13(17(22)15(12)16)11-4-3-6-18-9-11/h3-4,6,8-10,19H,5,7H2,1-2H3	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	4.22E+3	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of IFNgamma-stimulated IDO1 in human HeLa cells				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126901 BindingDB Entry DOI: 10.7270/Q2F76H3W
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50539496 (CHEMBL4634178) Show SMILES CCN(CC)CCc1c[nH]c2c1C(=O)C(=CC2=O)c1cccnc1 |c:15| Show InChI InChI=1S/C19H21N3O2/c1-3-22(4-2)9-7-14-12-21-18-16(23)10-15(19(24)17(14)18)13-6-5-8-20-11-13/h5-6,8,10-12,21H,3-4,7,9H2,1-2H3	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	>1.00E+4	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of IFNgamma-stimulated IDO1 in human HeLa cells				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126901 BindingDB Entry DOI: 10.7270/Q2F76H3W
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50539497 (CHEMBL4646706) Show SMILES CC(=O)NCCc1c[nH]c2c1C(=O)C(=CC2=O)c1cccnc1 |c:14| Show InChI InChI=1S/C17H15N3O3/c1-10(21)19-6-4-12-9-20-16-14(22)7-13(17(23)15(12)16)11-3-2-5-18-8-11/h2-3,5,7-9,20H,4,6H2,1H3,(H,19,21)	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	>1.00E+4	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of IFNgamma-stimulated IDO1 in human HeLa cells				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126901 BindingDB Entry DOI: 10.7270/Q2F76H3W
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50539498 (CHEMBL4643390) Show SMILES CC(C)(C)C(=O)NCCc1c[nH]c2c1C(=O)C(=CC2=O)c1cccnc1 |c:17| Show InChI InChI=1S/C20H21N3O3/c1-20(2,3)19(26)22-8-6-13-11-23-17-15(24)9-14(18(25)16(13)17)12-5-4-7-21-10-12/h4-5,7,9-11,23H,6,8H2,1-3H3,(H,22,26)	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	4.60E+3	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of IFNgamma-stimulated IDO1 in human HeLa cells				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126901 BindingDB Entry DOI: 10.7270/Q2F76H3W
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50539499 (CHEMBL4636140) Show SMILES O=C(NCCc1c[nH]c2c1C(=O)C(=CC2=O)c1cccnc1)c1ccccc1 |c:13| Show InChI InChI=1S/C22H17N3O3/c26-18-11-17(15-7-4-9-23-12-15)21(27)19-16(13-25-20(18)19)8-10-24-22(28)14-5-2-1-3-6-14/h1-7,9,11-13,25H,8,10H2,(H,24,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	5.09E+3	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of IFNgamma-stimulated IDO1 in human HeLa cells				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126901 BindingDB Entry DOI: 10.7270/Q2F76H3W
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50539500 (CHEMBL4643658) Show SMILES O=C1C=C(C(=O)c2c(CCNS(=O)(=O)c3ccccc3)c[nH]c12)c1cccnc1 |c:2| Show InChI InChI=1S/C21H17N3O4S/c25-18-11-17(14-5-4-9-22-12-14)21(26)19-15(13-23-20(18)19)8-10-24-29(27,28)16-6-2-1-3-7-16/h1-7,9,11-13,23-24H,8,10H2	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	4.92E+3	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of IFNgamma-stimulated IDO1 in human HeLa cells				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126901 BindingDB Entry DOI: 10.7270/Q2F76H3W
					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	n/a	n/a	13	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of IFNgamma-stimulated IDO1 in human HeLa cells				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126901 BindingDB Entry DOI: 10.7270/Q2F76H3W
					More data for this Ligand-Target Pair				3D Structure (crystal)
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50539487 (CHEMBL4648933) Show SMILES CC(C)(C)OC(=O)NCCc1c[nH]c2c1C(=O)C(=CC2=O)c1cccnc1 |c:18| Show InChI InChI=1S/C20H21N3O4/c1-20(2,3)27-19(26)22-8-6-13-11-23-17-15(24)9-14(18(25)16(13)17)12-5-4-7-21-10-12/h4-5,7,9-11,23H,6,8H2,1-3H3,(H,22,26)	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	5.40E+3	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of IFNgamma-stimulated IDO1 in human HeLa cells				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126901 BindingDB Entry DOI: 10.7270/Q2F76H3W
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50539488 (CHEMBL4646335) Show SMILES NCCc1c[nH]c2c1C(=O)C(=CC2=O)c1cccnc1 |c:11| Show InChI InChI=1S/C15H13N3O2/c16-4-3-10-8-18-14-12(19)6-11(15(20)13(10)14)9-2-1-5-17-7-9/h1-2,5-8,18H,3-4,16H2	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	6.62E+3	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of IFNgamma-stimulated IDO1 in human HeLa cells				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126901 BindingDB Entry DOI: 10.7270/Q2F76H3W
					More data for this Ligand-Target Pair