Compile Data Set for Download or QSAR

Found 65 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 1795   

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))	BDBM340834 (US9765018, Example 287) Show SMILES CCCC(CCC)Oc1c(Br)cc(cc1NC(=O)Nc1ccccc1F)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C27H28BrFN6O2/c1-3-9-18(10-4-2)37-25-21(28)15-17(19-11-5-6-12-20(19)26-32-34-35-33-26)16-24(25)31-27(36)30-23-14-8-7-13-22(23)29/h5-8,11-16,18H,3-4,9-10H2,1-2H3,(H2,30,31,36)(H,32,33,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.49	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company; Syngene International Limited; Bristol-Myers Squibb Company US Patent					Assay Description Human IDO1/HEK293 cells were seeded at 10,000 cells per 50 uL per well with RPMI/phenol red free media contains 10% FBS in a 384-well black wall clea...				US Patent US9765018 (2017) BindingDB Entry DOI: 10.7270/Q2KP849H
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM340782 (1-(5-Butyl-4-propoxy-2′-(1H-tetrazol-5-yl)-[...) Show SMILES CCCCc1cc(cc(NC(=O)Nc2ccc(C)cc2)c1OCCC)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C28H32N6O2/c1-4-6-9-20-17-21(23-10-7-8-11-24(23)27-31-33-34-32-27)18-25(26(20)36-16-5-2)30-28(35)29-22-14-12-19(3)13-15-22/h7-8,10-15,17-18H,4-6,9,16H2,1-3H3,(H2,29,30,35)(H,31,32,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.92	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company; Syngene International Limited; Bristol-Myers Squibb Company US Patent					Assay Description Human IDO1/HEK293 cells were seeded at 10,000 cells per 50 uL per well with RPMI/phenol red free media contains 10% FBS in a 384-well black wall clea...				US Patent US9765018 (2017) BindingDB Entry DOI: 10.7270/Q2KP849H
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM340833 (US9765018, Example 284) Show SMILES CCCOc1c(C\C=C\CC)cc(cc1NC(=O)Nc1ccccc1F)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C28H29FN6O2/c1-3-5-6-11-19-17-20(21-12-7-8-13-22(21)27-32-34-35-33-27)18-25(26(19)37-16-4-2)31-28(36)30-24-15-10-9-14-23(24)29/h5-10,12-15,17-18H,3-4,11,16H2,1-2H3,(H2,30,31,36)(H,32,33,34,35)/b6-5+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.49	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company; Syngene International Limited; Bristol-Myers Squibb Company US Patent					Assay Description Human IDO1/HEK293 cells were seeded at 10,000 cells per 50 uL per well with RPMI/phenol red free media contains 10% FBS in a 384-well black wall clea...				US Patent US9765018 (2017) BindingDB Entry DOI: 10.7270/Q2KP849H
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM340786 ((E)-1-(4-Prop oxy-2′-(1H-tetrazol-5-yl)-5-(4...) Show SMILES CCCOc1c(C\C=C/C(F)(F)F)cc(cc1NC(=O)Nc1ccc(C)cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C28H27F3N6O2/c1-3-15-39-25-19(7-6-14-28(29,30)31)16-20(22-8-4-5-9-23(22)26-34-36-37-35-26)17-24(25)33-27(38)32-21-12-10-18(2)11-13-21/h4-6,8-14,16-17H,3,7,15H2,1-2H3,(H2,32,33,38)(H,34,35,36,37)/b14-6-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company; Syngene International Limited; Bristol-Myers Squibb Company US Patent					Assay Description Human IDO1/HEK293 cells were seeded at 10,000 cells per 50 uL per well with RPMI/phenol red free media contains 10% FBS in a 384-well black wall clea...				US Patent US9765018 (2017) BindingDB Entry DOI: 10.7270/Q2KP849H
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM340787 (3′-(3-Phenylpropyl)-4′-propoxy-5′...) Show SMILES CCCOc1c(CCCc2ccccc2)cc(cc1NC(=O)Nc1ccc(C)cc1)-c1ccccc1C(O)=O Show InChI InChI=1S/C33H34N2O4/c1-3-20-39-31-25(13-9-12-24-10-5-4-6-11-24)21-26(28-14-7-8-15-29(28)32(36)37)22-30(31)35-33(38)34-27-18-16-23(2)17-19-27/h4-8,10-11,14-19,21-22H,3,9,12-13,20H2,1-2H3,(H,36,37)(H2,34,35,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company; Syngene International Limited; Bristol-Myers Squibb Company US Patent					Assay Description Human IDO1/HEK293 cells were seeded at 10,000 cells per 50 uL per well with RPMI/phenol red free media contains 10% FBS in a 384-well black wall clea...				US Patent US9765018 (2017) BindingDB Entry DOI: 10.7270/Q2KP849H
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM340785 (1-(4-Propoxy-2′-(1H-tetrazol-5-yl)-5-(4,4,4-...) Show SMILES CCCOc1c(CCCC(F)(F)F)cc(cc1NC(=O)Nc1ccc(C)cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C28H29F3N6O2/c1-3-15-39-25-19(7-6-14-28(29,30)31)16-20(22-8-4-5-9-23(22)26-34-36-37-35-26)17-24(25)33-27(38)32-21-12-10-18(2)11-13-21/h4-5,8-13,16-17H,3,6-7,14-15H2,1-2H3,(H2,32,33,38)(H,34,35,36,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company; Syngene International Limited; Bristol-Myers Squibb Company US Patent					Assay Description Human IDO1/HEK293 cells were seeded at 10,000 cells per 50 uL per well with RPMI/phenol red free media contains 10% FBS in a 384-well black wall clea...				US Patent US9765018 (2017) BindingDB Entry DOI: 10.7270/Q2KP849H
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM340784 ((E)-1-(5-(4,4-Difluorobuta-1,3-dien-1-yl)-4-propox...) Show SMILES CCCOc1c(NC(=O)Nc2ccc(C)cc2)cc(cc1\C=C\C=C(F)F)-c1ccccc1-c1nnn[nH]1 |(4.67,1.15,;3.33,.38,;2,1.15,;.67,.38,;-.67,1.15,;-.67,2.69,;.67,3.46,;.67,5,;-.67,5.77,;2,5.77,;3.33,5,;3.33,3.46,;4.67,2.69,;6,3.46,;7.34,2.69,;6,5,;4.67,5.77,;-2,3.46,;-3.33,2.69,;-3.33,1.15,;-2,.38,;-2,-1.16,;-.67,-1.93,;-.67,-3.47,;.67,-4.24,;.67,-5.77,;2,-3.47,;-4.67,3.46,;-4.67,5,;-6,5.77,;-7.34,5,;-7.34,3.46,;-6,2.69,;-6,1.15,;-4.76,.25,;-5.23,-1.21,;-6.77,-1.21,;-7.25,.25,)| Show InChI InChI=1S/C28H26F2N6O2/c1-3-15-38-26-19(7-6-10-25(29)30)16-20(22-8-4-5-9-23(22)27-33-35-36-34-27)17-24(26)32-28(37)31-21-13-11-18(2)12-14-21/h4-14,16-17H,3,15H2,1-2H3,(H2,31,32,37)(H,33,34,35,36)/b7-6+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company; Syngene International Limited; Bristol-Myers Squibb Company US Patent					Assay Description Human IDO1/HEK293 cells were seeded at 10,000 cells per 50 uL per well with RPMI/phenol red free media contains 10% FBS in a 384-well black wall clea...				US Patent US9765018 (2017) BindingDB Entry DOI: 10.7270/Q2KP849H
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM340835 (US9765018, Example 288) Show SMILES CCCCCc1cc(cc(NC(=O)Nc2ccc(C)cc2)c1OCCC)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C29H34N6O2/c1-4-6-7-10-21-18-22(24-11-8-9-12-25(24)28-32-34-35-33-28)19-26(27(21)37-17-5-2)31-29(36)30-23-15-13-20(3)14-16-23/h8-9,11-16,18-19H,4-7,10,17H2,1-3H3,(H2,30,31,36)(H,32,33,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company; Syngene International Limited; Bristol-Myers Squibb Company US Patent					Assay Description Human IDO1/HEK293 cells were seeded at 10,000 cells per 50 uL per well with RPMI/phenol red free media contains 10% FBS in a 384-well black wall clea...				US Patent US9765018 (2017) BindingDB Entry DOI: 10.7270/Q2KP849H
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM340783 ((E)-1-(4-Propoxy-2′-(1H-tetrazol-5-yl)-5-(4,...) Show SMILES CCCOc1c(NC(=O)Nc2ccc(C)cc2)cc(cc1\C=C\CC(F)(F)F)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C28H27F3N6O2/c1-3-15-39-25-19(7-6-14-28(29,30)31)16-20(22-8-4-5-9-23(22)26-34-36-37-35-26)17-24(25)33-27(38)32-21-12-10-18(2)11-13-21/h4-13,16-17H,3,14-15H2,1-2H3,(H2,32,33,38)(H,34,35,36,37)/b7-6+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company; Syngene International Limited; Bristol-Myers Squibb Company US Patent					Assay Description Human IDO1/HEK293 cells were seeded at 10,000 cells per 50 uL per well with RPMI/phenol red free media contains 10% FBS in a 384-well black wall clea...				US Patent US9765018 (2017) BindingDB Entry DOI: 10.7270/Q2KP849H
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM340781 ((E)-1-(5-(But-2-en-1-yl)-4-propoxy-2′-(1H-te...) Show SMILES CCCOc1c(C\C=C\C)cc(cc1NC(=O)Nc1ccc(C)cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C28H30N6O2/c1-4-6-9-20-17-21(23-10-7-8-11-24(23)27-31-33-34-32-27)18-25(26(20)36-16-5-2)30-28(35)29-22-14-12-19(3)13-15-22/h4,6-8,10-15,17-18H,5,9,16H2,1-3H3,(H2,29,30,35)(H,31,32,33,34)/b6-4+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company; Syngene International Limited; Bristol-Myers Squibb Company US Patent					Assay Description Human IDO1/HEK293 cells were seeded at 10,000 cells per 50 uL per well with RPMI/phenol red free media contains 10% FBS in a 384-well black wall clea...				US Patent US9765018 (2017) BindingDB Entry DOI: 10.7270/Q2KP849H
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM340769 (1-(5-(1-Phenylallyl)-4-propoxy-2′-(1H-tetraz...) Show SMILES CCCOc1c(CCC)cc(cc1NC(=O)Nc1ccc(C)cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C27H30N6O2/c1-4-8-19-16-20(22-9-6-7-10-23(22)26-30-32-33-31-26)17-24(25(19)35-15-5-2)29-27(34)28-21-13-11-18(3)12-14-21/h6-7,9-14,16-17H,4-5,8,15H2,1-3H3,(H2,28,29,34)(H,30,31,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company; Syngene International Limited; Bristol-Myers Squibb Company US Patent					Assay Description Human IDO1/HEK293 cells were seeded at 10,000 cells per 50 uL per well with RPMI/phenol red free media contains 10% FBS in a 384-well black wall clea...				US Patent US9765018 (2017) BindingDB Entry DOI: 10.7270/Q2KP849H
					More data for this Ligand-Target Pair				3D Structure (crystal)
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM340768 (1-(5-(1-Phenylallyl)-4-propoxy-2′-(1H-tetraz...) Show SMILES CCCOc1c(NC(=O)Nc2ccc(C)cc2)cc(cc1C(C=C)c1ccccc1)-c1ccccc1-c1nnn[nH]1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company; Syngene International Limited; Bristol-Myers Squibb Company US Patent					Assay Description Human IDO1/HEK293 cells were seeded at 10,000 cells per 50 uL per well with RPMI/phenol red free media contains 10% FBS in a 384-well black wall clea...				US Patent US9765018 (2017) BindingDB Entry DOI: 10.7270/Q2KP849H
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM340842 (US9765018, Example 321) Show SMILES FC(F)(F)Oc1ccc(NC(=O)Nc2cc(cc(CC3CC3)c2OCC2CC2)-c2ccccc2-c2nnn[nH]2)cc1 Show InChI InChI=1S/C29H27F3N6O3/c30-29(31,32)41-22-11-9-21(10-12-22)33-28(39)34-25-15-19(23-3-1-2-4-24(23)27-35-37-38-36-27)14-20(13-17-5-6-17)26(25)40-16-18-7-8-18/h1-4,9-12,14-15,17-18H,5-8,13,16H2,(H2,33,34,39)(H,35,36,37,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company; Syngene International Limited; Bristol-Myers Squibb Company US Patent					Assay Description Human IDO1/HEK293 cells were seeded at 10,000 cells per 50 uL per well with RPMI/phenol red free media contains 10% FBS in a 384-well black wall clea...				US Patent US9765018 (2017) BindingDB Entry DOI: 10.7270/Q2KP849H
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM340838 (US9765018, Example 298) Show SMILES CCCOc1c(NC(=O)Nc2ccc(C)cc2)cc(cc1C(CC)c1ccccc1)-c1ccccc1-c1nnn[nH]1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company; Syngene International Limited; Bristol-Myers Squibb Company US Patent					Assay Description Human IDO1/HEK293 cells were seeded at 10,000 cells per 50 uL per well with RPMI/phenol red free media contains 10% FBS in a 384-well black wall clea...				US Patent US9765018 (2017) BindingDB Entry DOI: 10.7270/Q2KP849H
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM340840 (US9765018, Example 316) Show SMILES FC(F)(F)CCOc1c(CC2CC2)cc(cc1NC(=O)Nc1ccc(cc1)C1CC1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C30H29F3N6O2/c31-30(32,33)13-14-41-27-22(15-18-5-6-18)16-21(24-3-1-2-4-25(24)28-36-38-39-37-28)17-26(27)35-29(40)34-23-11-9-20(10-12-23)19-7-8-19/h1-4,9-12,16-19H,5-8,13-15H2,(H2,34,35,40)(H,36,37,38,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company; Syngene International Limited; Bristol-Myers Squibb Company US Patent					Assay Description Human IDO1/HEK293 cells were seeded at 10,000 cells per 50 uL per well with RPMI/phenol red free media contains 10% FBS in a 384-well black wall clea...				US Patent US9765018 (2017) BindingDB Entry DOI: 10.7270/Q2KP849H
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM340836 (US9765018, Example 289) Show SMILES CCCCCc1cc(cc(NC(=O)Nc2ccccc2F)c1OCCC)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C28H31FN6O2/c1-3-5-6-11-19-17-20(21-12-7-8-13-22(21)27-32-34-35-33-27)18-25(26(19)37-16-4-2)31-28(36)30-24-15-10-9-14-23(24)29/h7-10,12-15,17-18H,3-6,11,16H2,1-2H3,(H2,30,31,36)(H,32,33,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company; Syngene International Limited; Bristol-Myers Squibb Company US Patent					Assay Description Human IDO1/HEK293 cells were seeded at 10,000 cells per 50 uL per well with RPMI/phenol red free media contains 10% FBS in a 384-well black wall clea...				US Patent US9765018 (2017) BindingDB Entry DOI: 10.7270/Q2KP849H
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM340832 (US9765018, Example 283) Show SMILES CCCOc1c(Br)cc(cc1NC(=O)Nc1ccc(C)cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C24H23BrN6O2/c1-3-12-33-22-20(25)13-16(18-6-4-5-7-19(18)23-28-30-31-29-23)14-21(22)27-24(32)26-17-10-8-15(2)9-11-17/h4-11,13-14H,3,12H2,1-2H3,(H2,26,27,32)(H,28,29,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company; Syngene International Limited; Bristol-Myers Squibb Company US Patent					Assay Description Human IDO1/HEK293 cells were seeded at 10,000 cells per 50 uL per well with RPMI/phenol red free media contains 10% FBS in a 384-well black wall clea...				US Patent US9765018 (2017) BindingDB Entry DOI: 10.7270/Q2KP849H
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM340843 (US9765018, Example 323) Show SMILES Cc1cccc(NC(=O)Nc2cc(cc(CC3CC3)c2Oc2ccccc2)-c2ccccc2-c2nnn[nH]2)c1 Show InChI InChI=1S/C31H28N6O2/c1-20-8-7-9-24(16-20)32-31(38)33-28-19-22(26-12-5-6-13-27(26)30-34-36-37-35-30)18-23(17-21-14-15-21)29(28)39-25-10-3-2-4-11-25/h2-13,16,18-19,21H,14-15,17H2,1H3,(H2,32,33,38)(H,34,35,36,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company; Syngene International Limited; Bristol-Myers Squibb Company US Patent					Assay Description Human IDO1/HEK293 cells were seeded at 10,000 cells per 50 uL per well with RPMI/phenol red free media contains 10% FBS in a 384-well black wall clea...				US Patent US9765018 (2017) BindingDB Entry DOI: 10.7270/Q2KP849H
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM340809 (3'-(3-(2-chlorophenyl) ureido)-4-methoxy-4'-(2- me...) Show SMILES COc1ccc(cc1C(O)=O)-c1ccc(Oc2cccc(OCC#C)c2C)c(NC(=O)Nc2ccccc2Cl)c1 Show InChI InChI=1S/C31H25ClN2O6/c1-4-16-39-26-10-7-11-27(19(26)2)40-29-15-13-21(20-12-14-28(38-3)22(17-20)30(35)36)18-25(29)34-31(37)33-24-9-6-5-8-23(24)32/h1,5-15,17-18H,16H2,2-3H3,(H,35,36)(H2,33,34,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company; Syngene International Limited; Bristol-Myers Squibb Company US Patent					Assay Description Human IDO1/HEK293 cells were seeded at 10,000 cells per 50 uL per well with RPMI/phenol red free media contains 10% FBS in a 384-well black wall clea...				US Patent US9765018 (2017) BindingDB Entry DOI: 10.7270/Q2KP849H
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM340837 (US9765018, Example 297) Show SMILES CCCOc1c(NC(=O)Nc2ccc(C)cc2)cc(cc1C(CC)CCCc1ccccc1)-c1ccccc1-c1nnn[nH]1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company; Syngene International Limited; Bristol-Myers Squibb Company US Patent					Assay Description Human IDO1/HEK293 cells were seeded at 10,000 cells per 50 uL per well with RPMI/phenol red free media contains 10% FBS in a 384-well black wall clea...				US Patent US9765018 (2017) BindingDB Entry DOI: 10.7270/Q2KP849H
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM340841 (US9765018, Example 319) Show SMILES FC(F)(F)CCOc1c(CC2CC2)cc(cc1NC(=O)Nc1ccc(OC(F)(F)F)cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C28H24F6N6O3/c29-27(30,31)11-12-42-24-18(13-16-5-6-16)14-17(21-3-1-2-4-22(21)25-37-39-40-38-25)15-23(24)36-26(41)35-19-7-9-20(10-8-19)43-28(32,33)34/h1-4,7-10,14-16H,5-6,11-13H2,(H2,35,36,41)(H,37,38,39,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company; Syngene International Limited; Bristol-Myers Squibb Company US Patent					Assay Description Human IDO1/HEK293 cells were seeded at 10,000 cells per 50 uL per well with RPMI/phenol red free media contains 10% FBS in a 384-well black wall clea...				US Patent US9765018 (2017) BindingDB Entry DOI: 10.7270/Q2KP849H
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50234040 (CHEMBL4060089 | US9765018, Example 114) Show SMILES COc1ccc(cc1C(O)=O)-c1ccc(Oc2cccc3CCCCc23)c(NC(=O)Nc2ccccc2Cl)c1 Show InChI InChI=1S/C31H27ClN2O5/c1-38-27-15-13-20(17-23(27)30(35)36)21-14-16-29(39-28-12-6-8-19-7-2-3-9-22(19)28)26(18-21)34-31(37)33-25-11-5-4-10-24(25)32/h4-6,8,10-18H,2-3,7,9H2,1H3,(H,35,36)(H2,33,34,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	US Patent	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company; Syngene International Limited; Bristol-Myers Squibb Company US Patent					Assay Description Human IDO1/HEK293 cells were seeded at 10,000 cells per 50 uL per well with RPMI/phenol red free media contains 10% FBS in a 384-well black wall clea...				US Patent US9765018 (2017) BindingDB Entry DOI: 10.7270/Q2KP849H
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50234039 (CHEMBL4082553 | US9765018, Example 115) Show SMILES COc1ccc(cc1C(O)=O)-c1ccc(Oc2cccc3CCCCc23)c(NC(=O)Nc2ccccc2C)c1 Show InChI InChI=1S/C32H30N2O5/c1-20-8-3-6-12-26(20)33-32(37)34-27-19-23(22-14-16-28(38-2)25(18-22)31(35)36)15-17-30(27)39-29-13-7-10-21-9-4-5-11-24(21)29/h3,6-8,10,12-19H,4-5,9,11H2,1-2H3,(H,35,36)(H2,33,34,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company; Syngene International Limited; Bristol-Myers Squibb Company US Patent					Assay Description Human IDO1/HEK293 cells were seeded at 10,000 cells per 50 uL per well with RPMI/phenol red free media contains 10% FBS in a 384-well black wall clea...				US Patent US9765018 (2017) BindingDB Entry DOI: 10.7270/Q2KP849H
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM340801 (3'-(3-(2-chlorophenyl) ureido)-4'-(2,3- dimethylph...) Show SMILES COc1ccc(cc1C(O)=O)-c1ccc(Oc2cccc(C)c2C)c(NC(=O)Nc2ccccc2Cl)c1 Show InChI InChI=1S/C29H25ClN2O5/c1-17-7-6-10-25(18(17)2)37-27-14-12-20(19-11-13-26(36-3)21(15-19)28(33)34)16-24(27)32-29(35)31-23-9-5-4-8-22(23)30/h4-16H,1-3H3,(H,33,34)(H2,31,32,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company; Syngene International Limited; Bristol-Myers Squibb Company US Patent					Assay Description Human IDO1/HEK293 cells were seeded at 10,000 cells per 50 uL per well with RPMI/phenol red free media contains 10% FBS in a 384-well black wall clea...				US Patent US9765018 (2017) BindingDB Entry DOI: 10.7270/Q2KP849H
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM340805 (4-methoxy-4'- (naphthalen-1-yloxy)-3'- (3-o-tolylu...) Show SMILES COc1ccc(cc1C(O)=O)-c1ccc(Oc2cccc3ccccc23)c(NC(=O)Nc2ccccc2C)c1 Show InChI InChI=1S/C32H26N2O5/c1-20-8-3-6-12-26(20)33-32(37)34-27-19-23(22-14-16-28(38-2)25(18-22)31(35)36)15-17-30(27)39-29-13-7-10-21-9-4-5-11-24(21)29/h3-19H,1-2H3,(H,35,36)(H2,33,34,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company; Syngene International Limited; Bristol-Myers Squibb Company US Patent					Assay Description Human IDO1/HEK293 cells were seeded at 10,000 cells per 50 uL per well with RPMI/phenol red free media contains 10% FBS in a 384-well black wall clea...				US Patent US9765018 (2017) BindingDB Entry DOI: 10.7270/Q2KP849H
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM340811 (3'-(3-(2-chlorophenyl) ureido)-4'-(2,3-dihydro- 1H...) Show SMILES COc1ccc(cc1C(O)=O)-c1ccc(Oc2cccc3CCCc23)c(NC(=O)Nc2ccccc2Cl)c1 Show InChI InChI=1S/C30H25ClN2O5/c1-37-26-14-12-19(16-22(26)29(34)35)20-13-15-28(38-27-11-5-7-18-6-4-8-21(18)27)25(17-20)33-30(36)32-24-10-3-2-9-23(24)31/h2-3,5,7,9-17H,4,6,8H2,1H3,(H,34,35)(H2,32,33,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company; Syngene International Limited; Bristol-Myers Squibb Company US Patent					Assay Description Human IDO1/HEK293 cells were seeded at 10,000 cells per 50 uL per well with RPMI/phenol red free media contains 10% FBS in a 384-well black wall clea...				US Patent US9765018 (2017) BindingDB Entry DOI: 10.7270/Q2KP849H
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM340794 (4'-(2-(tert-butyl) phenoxy)-3'-(3-(2- fluorophenyl...) Show SMILES COc1ccc(cc1C(O)=O)-c1ccc(Oc2ccccc2C(C)(C)C)c(NC(=O)Nc2ccccc2F)c1 Show InChI InChI=1S/C31H29FN2O5/c1-31(2,3)22-9-5-8-12-27(22)39-28-16-14-20(19-13-15-26(38-4)21(17-19)29(35)36)18-25(28)34-30(37)33-24-11-7-6-10-23(24)32/h5-18H,1-4H3,(H,35,36)(H2,33,34,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company; Syngene International Limited; Bristol-Myers Squibb Company US Patent					Assay Description Human IDO1/HEK293 cells were seeded at 10,000 cells per 50 uL per well with RPMI/phenol red free media contains 10% FBS in a 384-well black wall clea...				US Patent US9765018 (2017) BindingDB Entry DOI: 10.7270/Q2KP849H
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50234045 (CHEMBL4094668 | US9765018, Example 141) Show SMILES COc1ccc(cc1C(O)=O)-c1ccc(Oc2cccc(OCC#C)c2C)c(NC(=O)Nc2ccc(C)cc2)c1 Show InChI InChI=1S/C32H28N2O6/c1-5-17-39-27-7-6-8-28(21(27)3)40-30-16-12-23(22-11-15-29(38-4)25(18-22)31(35)36)19-26(30)34-32(37)33-24-13-9-20(2)10-14-24/h1,6-16,18-19H,17H2,2-4H3,(H,35,36)(H2,33,34,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company; Syngene International Limited; Bristol-Myers Squibb Company US Patent					Assay Description Human IDO1/HEK293 cells were seeded at 10,000 cells per 50 uL per well with RPMI/phenol red free media contains 10% FBS in a 384-well black wall clea...				US Patent US9765018 (2017) BindingDB Entry DOI: 10.7270/Q2KP849H
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50234047 (CHEMBL4081989 | US9765018, Example 152) Show SMILES COc1ccc(cc1C(O)=O)-c1ccc(Oc2cccc3CCCCc23)c(NC(=O)Nc2ccccc2F)c1 Show InChI InChI=1S/C31H27FN2O5/c1-38-27-15-13-20(17-23(27)30(35)36)21-14-16-29(39-28-12-6-8-19-7-2-3-9-22(19)28)26(18-21)34-31(37)33-25-11-5-4-10-24(25)32/h4-6,8,10-18H,2-3,7,9H2,1H3,(H,35,36)(H2,33,34,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company; Syngene International Limited; Bristol-Myers Squibb Company US Patent					Assay Description Human IDO1/HEK293 cells were seeded at 10,000 cells per 50 uL per well with RPMI/phenol red free media contains 10% FBS in a 384-well black wall clea...				US Patent US9765018 (2017) BindingDB Entry DOI: 10.7270/Q2KP849H
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM340812 (4'-(2,3-dihydro-1H-inden- 4-yloxy)-4-methoxy-3'- (...) Show SMILES COc1ccc(cc1C(O)=O)-c1ccc(Oc2cccc3CCCc23)c(NC(=O)Nc2ccccc2C)c1 Show InChI InChI=1S/C31H28N2O5/c1-19-7-3-4-11-25(19)32-31(36)33-26-18-22(21-13-15-27(37-2)24(17-21)30(34)35)14-16-29(26)38-28-12-6-9-20-8-5-10-23(20)28/h3-4,6-7,9,11-18H,5,8,10H2,1-2H3,(H,34,35)(H2,32,33,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	530	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company; Syngene International Limited; Bristol-Myers Squibb Company US Patent					Assay Description Human IDO1/HEK293 cells were seeded at 10,000 cells per 50 uL per well with RPMI/phenol red free media contains 10% FBS in a 384-well black wall clea...				US Patent US9765018 (2017) BindingDB Entry DOI: 10.7270/Q2KP849H
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM340789 (4'-(2-tert-butylphenoxy)- 4-methoxy-3'-(3-(2- (tri...) Show SMILES COc1ccc(cc1C(O)=O)-c1ccc(Oc2ccccc2C(C)(C)C)c(NC(=O)Nc2ccccc2C(F)(F)F)c1 Show InChI InChI=1S/C32H29F3N2O5/c1-31(2,3)23-10-6-8-12-27(23)42-28-16-14-20(19-13-15-26(41-4)21(17-19)29(38)39)18-25(28)37-30(40)36-24-11-7-5-9-22(24)32(33,34)35/h5-18H,1-4H3,(H,38,39)(H2,36,37,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	540	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company; Syngene International Limited; Bristol-Myers Squibb Company US Patent					Assay Description Human IDO1/HEK293 cells were seeded at 10,000 cells per 50 uL per well with RPMI/phenol red free media contains 10% FBS in a 384-well black wall clea...				US Patent US9765018 (2017) BindingDB Entry DOI: 10.7270/Q2KP849H
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM340558 (4′-(2-tert-Butylphenoxy)-3′-(3-p-tolyl...) Show SMILES Cc1ccc(NC(=O)Nc2cc(ccc2Oc2ccccc2C(C)(C)C)-c2ccccc2C(O)=O)cc1 Show InChI InChI=1S/C31H30N2O4/c1-20-13-16-22(17-14-20)32-30(36)33-26-19-21(23-9-5-6-10-24(23)29(34)35)15-18-28(26)37-27-12-8-7-11-25(27)31(2,3)4/h5-19H,1-4H3,(H,34,35)(H2,32,33,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	560	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company; Syngene International Limited; Bristol-Myers Squibb Company US Patent					Assay Description Human IDO1/HEK293 cells were seeded at 10,000 cells per 50 uL per well with RPMI/phenol red free media contains 10% FBS in a 384-well black wall clea...				US Patent US9765018 (2017) BindingDB Entry DOI: 10.7270/Q2KP849H
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM340839 (US9765018, Example 313) Show SMILES CCCC(Oc1ccc(cc1NC(=O)Nc1ccc(C)cc1)-c1ccccc1-c1nnn[nH]1)c1ccccc1Cl Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	610	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company; Syngene International Limited; Bristol-Myers Squibb Company US Patent					Assay Description Human IDO1/HEK293 cells were seeded at 10,000 cells per 50 uL per well with RPMI/phenol red free media contains 10% FBS in a 384-well black wall clea...				US Patent US9765018 (2017) BindingDB Entry DOI: 10.7270/Q2KP849H
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM340788 (4'-(2-tert-butylphenoxy)- 3'-(3-(2-chlorophenyl) u...) Show SMILES COc1ccc(cc1C(O)=O)-c1ccc(Oc2ccccc2C(C)(C)C)c(NC(=O)Nc2ccccc2Cl)c1 Show InChI InChI=1S/C31H29ClN2O5/c1-31(2,3)22-9-5-8-12-27(22)39-28-16-14-20(19-13-15-26(38-4)21(17-19)29(35)36)18-25(28)34-30(37)33-24-11-7-6-10-23(24)32/h5-18H,1-4H3,(H,35,36)(H2,33,34,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	620	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company; Syngene International Limited; Bristol-Myers Squibb Company US Patent					Assay Description Human IDO1/HEK293 cells were seeded at 10,000 cells per 50 uL per well with RPMI/phenol red free media contains 10% FBS in a 384-well black wall clea...				US Patent US9765018 (2017) BindingDB Entry DOI: 10.7270/Q2KP849H
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM340802 (4'-(2,3-dimethylphenoxy)- 4-methoxy-3'-(3-m- tolyl...) Show SMILES COc1ccc(cc1C(O)=O)-c1ccc(Oc2cccc(C)c2C)c(NC(=O)Nc2cccc(C)c2)c1 Show InChI InChI=1S/C30H28N2O5/c1-18-7-5-9-23(15-18)31-30(35)32-25-17-22(21-11-13-27(36-4)24(16-21)29(33)34)12-14-28(25)37-26-10-6-8-19(2)20(26)3/h5-17H,1-4H3,(H,33,34)(H2,31,32,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	660	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company; Syngene International Limited; Bristol-Myers Squibb Company US Patent					Assay Description Human IDO1/HEK293 cells were seeded at 10,000 cells per 50 uL per well with RPMI/phenol red free media contains 10% FBS in a 384-well black wall clea...				US Patent US9765018 (2017) BindingDB Entry DOI: 10.7270/Q2KP849H
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50234043 (CHEMBL4086041 | US9765018, Example 123) Show SMILES COc1ccc(cc1C(O)=O)-c1ccc(Oc2cccc(C)c2C)c(NC(=O)Nc2ccc(C)cc2)c1 Show InChI InChI=1S/C30H28N2O5/c1-18-8-12-23(13-9-18)31-30(35)32-25-17-22(21-10-14-27(36-4)24(16-21)29(33)34)11-15-28(25)37-26-7-5-6-19(2)20(26)3/h5-17H,1-4H3,(H,33,34)(H2,31,32,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	680	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company; Syngene International Limited; Bristol-Myers Squibb Company US Patent					Assay Description Human IDO1/HEK293 cells were seeded at 10,000 cells per 50 uL per well with RPMI/phenol red free media contains 10% FBS in a 384-well black wall clea...				US Patent US9765018 (2017) BindingDB Entry DOI: 10.7270/Q2KP849H
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM340643 (N-(4′-(2-tert-Butylphenoxy)-4-methoxy-3̸...) Show SMILES COc1ccc(cc1NS(=O)(=O)C(F)(F)F)-c1ccc(Oc2ccccc2C(C)(C)C)c(NC(=O)Nc2ccc(C)cc2)c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	750	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company; Syngene International Limited; Bristol-Myers Squibb Company US Patent					Assay Description Human IDO1/HEK293 cells were seeded at 10,000 cells per 50 uL per well with RPMI/phenol red free media contains 10% FBS in a 384-well black wall clea...				US Patent US9765018 (2017) BindingDB Entry DOI: 10.7270/Q2KP849H
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM340806 (4-methoxy-4'- (naphthalen-1-yloxy)-3'- (3-p-tolylu...) Show SMILES COc1ccc(cc1C(O)=O)-c1ccc(Oc2cccc3ccccc23)c(NC(=O)Nc2ccc(C)cc2)c1 Show InChI InChI=1S/C32H26N2O5/c1-20-10-14-24(15-11-20)33-32(37)34-27-19-23(22-12-16-28(38-2)26(18-22)31(35)36)13-17-30(27)39-29-9-5-7-21-6-3-4-8-25(21)29/h3-19H,1-2H3,(H,35,36)(H2,33,34,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	770	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company; Syngene International Limited; Bristol-Myers Squibb Company US Patent					Assay Description Human IDO1/HEK293 cells were seeded at 10,000 cells per 50 uL per well with RPMI/phenol red free media contains 10% FBS in a 384-well black wall clea...				US Patent US9765018 (2017) BindingDB Entry DOI: 10.7270/Q2KP849H
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50234041 (CHEMBL4060679 | US9765018, Example 116) Show SMILES COc1ccc(cc1C(O)=O)-c1ccc(Oc2cccc3CCCCc23)c(NC(=O)Nc2cccc(C)c2)c1 Show InChI InChI=1S/C32H30N2O5/c1-20-7-5-10-24(17-20)33-32(37)34-27-19-23(22-13-15-28(38-2)26(18-22)31(35)36)14-16-30(27)39-29-12-6-9-21-8-3-4-11-25(21)29/h5-7,9-10,12-19H,3-4,8,11H2,1-2H3,(H,35,36)(H2,33,34,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	n/a	n/a	790	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company; Syngene International Limited; Bristol-Myers Squibb Company US Patent					Assay Description Human IDO1/HEK293 cells were seeded at 10,000 cells per 50 uL per well with RPMI/phenol red free media contains 10% FBS in a 384-well black wall clea...				US Patent US9765018 (2017) BindingDB Entry DOI: 10.7270/Q2KP849H
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM340821 (3'-(3-(3,4- dimethylphenyl)ureido)- 4-methoxy-4'-(...) Show SMILES COc1ccc(cc1C(O)=O)-c1ccc(Oc2cccc3CCCCc23)c(NC(=O)Nc2ccc(C)c(C)c2)c1 Show InChI InChI=1S/C33H32N2O5/c1-20-11-14-25(17-21(20)2)34-33(38)35-28-19-24(23-12-15-29(39-3)27(18-23)32(36)37)13-16-31(28)40-30-10-6-8-22-7-4-5-9-26(22)30/h6,8,10-19H,4-5,7,9H2,1-3H3,(H,36,37)(H2,34,35,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	920	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company; Syngene International Limited; Bristol-Myers Squibb Company US Patent					Assay Description Human IDO1/HEK293 cells were seeded at 10,000 cells per 50 uL per well with RPMI/phenol red free media contains 10% FBS in a 384-well black wall clea...				US Patent US9765018 (2017) BindingDB Entry DOI: 10.7270/Q2KP849H
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50234046 (CHEMBL4067223 | US9765018, Example 151) Show SMILES COc1ccc(cc1C(O)=O)-c1ccc(Oc2cccc3CCCCc23)c(NC(=O)Nc2ccccc2)c1 Show InChI InChI=1S/C31H28N2O5/c1-37-27-16-14-21(18-25(27)30(34)35)22-15-17-29(38-28-13-7-9-20-8-5-6-12-24(20)28)26(19-22)33-31(36)32-23-10-3-2-4-11-23/h2-4,7,9-11,13-19H,5-6,8,12H2,1H3,(H,34,35)(H2,32,33,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company; Syngene International Limited; Bristol-Myers Squibb Company US Patent					Assay Description Human IDO1/HEK293 cells were seeded at 10,000 cells per 50 uL per well with RPMI/phenol red free media contains 10% FBS in a 384-well black wall clea...				US Patent US9765018 (2017) BindingDB Entry DOI: 10.7270/Q2KP849H
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM340795 (4'-(2-(tert-butyl) phenoxy)-3'-(3-(2,4- dichloroph...) Show SMILES COc1ccc(cc1C(O)=O)-c1ccc(Oc2ccccc2C(C)(C)C)c(NC(=O)Nc2ccc(Cl)cc2Cl)c1 Show InChI InChI=1S/C31H28Cl2N2O5/c1-31(2,3)22-7-5-6-8-27(22)40-28-14-10-19(18-9-13-26(39-4)21(15-18)29(36)37)16-25(28)35-30(38)34-24-12-11-20(32)17-23(24)33/h5-17H,1-4H3,(H,36,37)(H2,34,35,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company; Syngene International Limited; Bristol-Myers Squibb Company US Patent					Assay Description Human IDO1/HEK293 cells were seeded at 10,000 cells per 50 uL per well with RPMI/phenol red free media contains 10% FBS in a 384-well black wall clea...				US Patent US9765018 (2017) BindingDB Entry DOI: 10.7270/Q2KP849H
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50234044 (CHEMBL4102416 | US9765018, Example 145) Show SMILES COc1ccc(cc1C(O)=O)-c1ccc(Oc2cccc3CCCc23)c(NC(=O)Nc2ccc(C)cc2)c1 Show InChI InChI=1S/C31H28N2O5/c1-19-9-13-23(14-10-19)32-31(36)33-26-18-22(21-11-15-27(37-2)25(17-21)30(34)35)12-16-29(26)38-28-8-4-6-20-5-3-7-24(20)28/h4,6,8-18H,3,5,7H2,1-2H3,(H,34,35)(H2,32,33,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	1.59E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company; Syngene International Limited; Bristol-Myers Squibb Company US Patent					Assay Description Human IDO1/HEK293 cells were seeded at 10,000 cells per 50 uL per well with RPMI/phenol red free media contains 10% FBS in a 384-well black wall clea...				US Patent US9765018 (2017) BindingDB Entry DOI: 10.7270/Q2KP849H
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50234059 (CHEMBL4087821 | US9765018, Example 63) Show SMILES COc1ccc(cc1C(O)=O)-c1ccc(Oc2ccccc2C(C)C)c(NC(=O)Nc2ccc(C)cc2)c1 Show InChI InChI=1S/C31H30N2O5/c1-19(2)24-7-5-6-8-28(24)38-29-16-12-22(21-11-15-27(37-4)25(17-21)30(34)35)18-26(29)33-31(36)32-23-13-9-20(3)10-14-23/h5-19H,1-4H3,(H,34,35)(H2,32,33,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company; Syngene International Limited; Bristol-Myers Squibb Company US Patent					Assay Description Human IDO1/HEK293 cells were seeded at 10,000 cells per 50 uL per well with RPMI/phenol red free media contains 10% FBS in a 384-well black wall clea...				US Patent US9765018 (2017) BindingDB Entry DOI: 10.7270/Q2KP849H
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM340831 (4'-(2-tert- butylphenoxy)-5- fluoro-3'-(3-o- tolyl...) Show SMILES Cc1ccccc1NC(=O)Nc1cc(ccc1Oc1ccccc1C(C)(C)C)-c1cc(F)cc(c1)C(O)=O Show InChI InChI=1S/C31H29FN2O4/c1-19-9-5-7-11-25(19)33-30(37)34-26-18-20(21-15-22(29(35)36)17-23(32)16-21)13-14-28(26)38-27-12-8-6-10-24(27)31(2,3)4/h5-18H,1-4H3,(H,35,36)(H2,33,34,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.62E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company; Syngene International Limited; Bristol-Myers Squibb Company US Patent					Assay Description Human IDO1/HEK293 cells were seeded at 10,000 cells per 50 uL per well with RPMI/phenol red free media contains 10% FBS in a 384-well black wall clea...				US Patent US9765018 (2017) BindingDB Entry DOI: 10.7270/Q2KP849H
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50234065 (CHEMBL4064513 | US9765018, Example 113) Show SMILES COc1ccc(cc1C(O)=O)-c1ccc(Oc2cccc(c2)C(C)(C)C)c(NC(=O)Nc2ccc(C)cc2)c1 Show InChI InChI=1S/C32H32N2O5/c1-20-9-13-24(14-10-20)33-31(37)34-27-18-22(21-11-15-28(38-5)26(17-21)30(35)36)12-16-29(27)39-25-8-6-7-23(19-25)32(2,3)4/h6-19H,1-5H3,(H,35,36)(H2,33,34,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	US Patent	n/a	n/a	1.66E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company; Syngene International Limited; Bristol-Myers Squibb Company US Patent					Assay Description Human IDO1/HEK293 cells were seeded at 10,000 cells per 50 uL per well with RPMI/phenol red free media contains 10% FBS in a 384-well black wall clea...				US Patent US9765018 (2017) BindingDB Entry DOI: 10.7270/Q2KP849H
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50234070 (CHEMBL4104184 | US9765018, Example 5) Show SMILES CCOc1ccc(cc1C(O)=O)-c1ccc(Oc2ccccc2C(C)(C)C)c(NC(=O)Nc2ccc(C)cc2)c1 Show InChI InChI=1S/C33H34N2O5/c1-6-39-28-17-13-22(19-25(28)31(36)37)23-14-18-30(40-29-10-8-7-9-26(29)33(3,4)5)27(20-23)35-32(38)34-24-15-11-21(2)12-16-24/h7-20H,6H2,1-5H3,(H,36,37)(H2,34,35,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	1.83E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company; Syngene International Limited; Bristol-Myers Squibb Company US Patent					Assay Description Human IDO1/HEK293 cells were seeded at 10,000 cells per 50 uL per well with RPMI/phenol red free media contains 10% FBS in a 384-well black wall clea...				US Patent US9765018 (2017) BindingDB Entry DOI: 10.7270/Q2KP849H
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50234060 (CHEMBL4066497 | US9765018, Example 77) Show SMILES CCCc1ccccc1Oc1ccc(cc1NC(=O)Nc1ccc(C)cc1)-c1ccc(OC)c(c1)C(O)=O Show InChI InChI=1S/C31H30N2O5/c1-4-7-21-8-5-6-9-27(21)38-29-17-13-23(22-12-16-28(37-3)25(18-22)30(34)35)19-26(29)33-31(36)32-24-14-10-20(2)11-15-24/h5-6,8-19H,4,7H2,1-3H3,(H,34,35)(H2,32,33,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	2.33E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company; Syngene International Limited; Bristol-Myers Squibb Company US Patent					Assay Description Human IDO1/HEK293 cells were seeded at 10,000 cells per 50 uL per well with RPMI/phenol red free media contains 10% FBS in a 384-well black wall clea...				US Patent US9765018 (2017) BindingDB Entry DOI: 10.7270/Q2KP849H
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM340815 (4-methoxy-4'-(5,6,7,8- tetrahydronaphthalen-2- ylo...) Show SMILES COc1ccc(cc1C(O)=O)-c1ccc(Oc2ccc3CCCCc3c2)c(NC(=O)Nc2ccc(C)cc2)c1 Show InChI InChI=1S/C32H30N2O5/c1-20-7-12-25(13-8-20)33-32(37)34-28-19-24(23-10-15-29(38-2)27(18-23)31(35)36)11-16-30(28)39-26-14-9-21-5-3-4-6-22(21)17-26/h7-19H,3-6H2,1-2H3,(H,35,36)(H2,33,34,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.42E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company; Syngene International Limited; Bristol-Myers Squibb Company US Patent					Assay Description Human IDO1/HEK293 cells were seeded at 10,000 cells per 50 uL per well with RPMI/phenol red free media contains 10% FBS in a 384-well black wall clea...				US Patent US9765018 (2017) BindingDB Entry DOI: 10.7270/Q2KP849H
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50234071 (CHEMBL4075095 | US9765018, Example 73) Show SMILES COc1ccc(cc1C(O)=O)-c1ccc(Oc2ccccc2C)c(NC(=O)Nc2ccc(C)cc2)c1 Show InChI InChI=1S/C29H26N2O5/c1-18-8-12-22(13-9-18)30-29(34)31-24-17-21(20-10-14-26(35-3)23(16-20)28(32)33)11-15-27(24)36-25-7-5-4-6-19(25)2/h4-17H,1-3H3,(H,32,33)(H2,30,31,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	2.97E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company; Syngene International Limited; Bristol-Myers Squibb Company US Patent					Assay Description Human IDO1/HEK293 cells were seeded at 10,000 cells per 50 uL per well with RPMI/phenol red free media contains 10% FBS in a 384-well black wall clea...				US Patent US9765018 (2017) BindingDB Entry DOI: 10.7270/Q2KP849H
					More data for this Ligand-Target Pair

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