Compile Data Set for Download or QSAR

Found 384 hits with Last Name = 'smotrov' and Initial = 'n'   

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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50114806 (CHEMBL3609752) Show SMILES COc1cc(ccc1-c1cn(nn1)[C@H]1CCc2c(F)cccc2N(CC(F)(F)F)C1=O)-n1cnc(C)c1 |r| Show InChI InChI=1S/C25H22F4N6O2/c1-15-11-33(14-30-15)16-6-7-18(23(10-16)37-2)20-12-35(32-31-20)22-9-8-17-19(26)4-3-5-21(17)34(24(22)36)13-25(27,28)29/h3-7,10-12,14,22H,8-9,13H2,1-2H3/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human ERG expressed in HEK293 cells by radioligand displacement assay				Bioorg Med Chem Lett 25: 3495-500 (2015) Article DOI: 10.1016/j.bmcl.2015.06.032 BindingDB Entry DOI: 10.7270/Q2125VFP
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50114807 (CHEMBL3608385) Show SMILES Cc1cn(cn1)-c1ccc(cc1OCC(F)(F)F)-c1cn(nn1)[C@H]1CCc2c(F)cccc2N(CC(F)(F)F)C1=O |r| Show InChI InChI=1S/C26H21F7N6O2/c1-15-10-37(14-34-15)21-7-5-16(9-23(21)41-13-26(31,32)33)19-11-39(36-35-19)22-8-6-17-18(27)3-2-4-20(17)38(24(22)40)12-25(28,29)30/h2-5,7,9-11,14,22H,6,8,12-13H2,1H3/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human ERG expressed in HEK293 cells by radioligand displacement assay				Bioorg Med Chem Lett 25: 3495-500 (2015) Article DOI: 10.1016/j.bmcl.2015.06.032 BindingDB Entry DOI: 10.7270/Q2125VFP
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50114800 (CHEMBL3609749) Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)[C@H]1CCc2c(F)cccc2N(CC(F)(F)F)C1=O |r| Show InChI InChI=1S/C25H22F4N6O2/c1-15-11-33(14-30-15)21-8-6-16(10-23(21)37-2)19-12-35(32-31-19)22-9-7-17-18(26)4-3-5-20(17)34(24(22)36)13-25(27,28)29/h3-6,8,10-12,14,22H,7,9,13H2,1-2H3/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human ERG expressed in HEK293 cells by radioligand displacement assay				Bioorg Med Chem Lett 25: 3495-500 (2015) Article DOI: 10.1016/j.bmcl.2015.06.032 BindingDB Entry DOI: 10.7270/Q2125VFP
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50114836 (CHEMBL3608387) Show SMILES COc1c(F)c(ccc1-n1cnc(C)c1)-c1cn(nn1)[C@H]1CCc2c(F)cccc2N(CC(F)(F)F)C1=O |r| Show InChI InChI=1S/C25H21F5N6O2/c1-14-10-34(13-31-14)20-8-7-16(22(27)23(20)38-2)18-11-36(33-32-18)21-9-6-15-17(26)4-3-5-19(15)35(24(21)37)12-25(28,29)30/h3-5,7-8,10-11,13,21H,6,9,12H2,1-2H3/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human ERG expressed in HEK293 cells by radioligand displacement assay				Bioorg Med Chem Lett 25: 3495-500 (2015) Article DOI: 10.1016/j.bmcl.2015.06.032 BindingDB Entry DOI: 10.7270/Q2125VFP
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50114805 (CHEMBL3608384) Show SMILES Cc1cn(cn1)-c1ccc(cc1)-c1cn(nn1)[C@H]1CCc2c(F)cccc2N(CC(F)(F)F)C1=O |r| Show InChI InChI=1S/C24H20F4N6O/c1-15-11-32(14-29-15)17-7-5-16(6-8-17)20-12-34(31-30-20)22-10-9-18-19(25)3-2-4-21(18)33(23(22)35)13-24(26,27)28/h2-8,11-12,14,22H,9-10,13H2,1H3/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human ERG expressed in HEK293 cells by radioligand displacement assay				Bioorg Med Chem Lett 25: 3495-500 (2015) Article DOI: 10.1016/j.bmcl.2015.06.032 BindingDB Entry DOI: 10.7270/Q2125VFP
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50114837 (CHEMBL3609755) Show SMILES COc1c(F)c(ccc1-c1cn(nn1)[C@H]1CCc2c(F)cccc2N(CC(F)(F)F)C1=O)-n1cnc(C)c1 |r| Show InChI InChI=1S/C25H21F5N6O2/c1-14-10-34(13-31-14)20-8-7-16(23(38-2)22(20)27)18-11-36(33-32-18)21-9-6-15-17(26)4-3-5-19(15)35(24(21)37)12-25(28,29)30/h3-5,7-8,10-11,13,21H,6,9,12H2,1-2H3/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human ERG expressed in HEK293 cells by radioligand displacement assay				Bioorg Med Chem Lett 25: 3495-500 (2015) Article DOI: 10.1016/j.bmcl.2015.06.032 BindingDB Entry DOI: 10.7270/Q2125VFP
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50114810 (CHEMBL3609754) Show SMILES Cc1cn(cn1)-c1ccc(-c2cn(nn2)[C@H]2CCc3c(F)cccc3N(CC(F)(F)F)C2=O)c(F)c1 |r| Show InChI InChI=1S/C24H19F5N6O/c1-14-10-33(13-30-14)15-5-6-16(19(26)9-15)20-11-35(32-31-20)22-8-7-17-18(25)3-2-4-21(17)34(23(22)36)12-24(27,28)29/h2-6,9-11,13,22H,7-8,12H2,1H3/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human ERG expressed in HEK293 cells by radioligand displacement assay				Bioorg Med Chem Lett 25: 3495-500 (2015) Article DOI: 10.1016/j.bmcl.2015.06.032 BindingDB Entry DOI: 10.7270/Q2125VFP
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50114845 (CHEMBL3609759) Show SMILES COc1cc(ccc1-n1cnc(C)n1)-c1cn(nn1)[C@H]1CCc2c(F)cccc2N(CC(F)(F)F)C1=O |r| Show InChI InChI=1S/C24H21F4N7O2/c1-14-29-13-35(31-14)20-8-6-15(10-22(20)37-2)18-11-34(32-30-18)21-9-7-16-17(25)4-3-5-19(16)33(23(21)36)12-24(26,27)28/h3-6,8,10-11,13,21H,7,9,12H2,1-2H3/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human ERG expressed in HEK293 cells by radioligand displacement assay				Bioorg Med Chem Lett 25: 3495-500 (2015) Article DOI: 10.1016/j.bmcl.2015.06.032 BindingDB Entry DOI: 10.7270/Q2125VFP
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50568395 (CHEMBL4848098) Show SMILES Clc1ccc(NC(=O)C2(CCC2)c2ccc3N(CCc3n2)c2ccccn2)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.340	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human IDO1 assessed as unbound compound concentration by human whole blood assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128214 BindingDB Entry DOI: 10.7270/Q29K4G0K
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50568383 (CHEMBL4872023) Show SMILES Fc1ccc(NC(=O)C2(CCC2)c2ccc3N(CCc3c2)C(=O)OC2CC2)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.450	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human IDO1 assessed as unbound compound concentration by human whole blood assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128214 BindingDB Entry DOI: 10.7270/Q29K4G0K
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50568397 (CHEMBL4869600) Show SMILES Clc1ccc(cc1)C(=O)NC1(CCC1)c1ccc2N(CCc2n1)C(=O)OC1CC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.630	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human IDO1 assessed as unbound compound concentration by human whole blood assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128214 BindingDB Entry DOI: 10.7270/Q29K4G0K
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50552941 (CHEMBL4764710) Show SMILES C[C@@H](NC(=O)c1ccc(F)cc1)c1ccc2N(CCCc2n1)C(=O)OC1CCC1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDO1 in IFN-gamma-stimulated human HeLa cells assessed as reduction in kynurenine production using L-Tryptophan as substrate incubated ...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00525 BindingDB Entry DOI: 10.7270/Q20G3PS5
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50568391 (CHEMBL4855740) Show SMILES Fc1ccc(NC(=O)C2(CCC2)c2ccc3N(CCc3n2)C(=O)c2cccc(Cl)c2)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.840	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human IDO1 assessed as unbound compound concentration by human whole blood assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128214 BindingDB Entry DOI: 10.7270/Q29K4G0K
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50573261 (CHEMBL4862297) Show SMILES C[C@H]1C[C@@]1(NC(=O)c1ccc(F)cc1)c1ccc2N(CCCc2n1)c1ccnc(C)n1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDO1 in human HeLa cells				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00265 BindingDB Entry DOI: 10.7270/Q20K2DBP
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50573259 (CHEMBL4847724) Show SMILES Fc1ccc(cc1)C(=O)NC1(CC1)c1ccc2N(CCCc2n1)c1ccnc(n1)C(F)(F)F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDO1 in human HeLa cells				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00265 BindingDB Entry DOI: 10.7270/Q20K2DBP
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50573260 (CHEMBL4859249) Show SMILES Cc1nccc(n1)N1CCCc2nc(ccc12)C1(CC1)NC(=O)c1ccc(F)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDO1 in human HeLa cells				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00265 BindingDB Entry DOI: 10.7270/Q20K2DBP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50552934 (CHEMBL4744727) Show SMILES C[C@@H](NC(=O)c1ccc(F)cc1)c1ccc2N(CCCc2n1)C(=O)c1cccc(Cl)c1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDO1 in IFN-gamma-stimulated human HeLa cells assessed as reduction in kynurenine production using L-Tryptophan as substrate incubated ...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00525 BindingDB Entry DOI: 10.7270/Q20G3PS5
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50568383 (CHEMBL4872023) Show SMILES Fc1ccc(NC(=O)C2(CCC2)c2ccc3N(CCc3c2)C(=O)OC2CC2)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human IDO1 in human Hela cells				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128214 BindingDB Entry DOI: 10.7270/Q29K4G0K
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50568387 (CHEMBL4875994) Show SMILES Clc1ccc(NC(=O)C2(CCC2)c2ccc3N(CCc3c2)c2ccccn2)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human IDO1 in human Hela cells				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128214 BindingDB Entry DOI: 10.7270/Q29K4G0K
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50552931 (CHEMBL4755227) Show SMILES C[C@@H](NC(=O)c1ccc(Cl)cc1)c1ccc2N(CCCc2n1)C(=O)c1cccc(Cl)c1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDO1 in IFN-gamma-stimulated human HeLa cells assessed as reduction in kynurenine production using L-Tryptophan as substrate incubated ...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00525 BindingDB Entry DOI: 10.7270/Q20G3PS5
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50538499 (CHEMBL4638223) Show SMILES Fc1ccc(NC(=O)C2(CCC2)c2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc1 Show InChI InChI=1S/C24H20ClFN2O2/c25-18-4-1-3-16(15-18)22(29)27-20-9-5-17(6-10-20)24(13-2-14-24)23(30)28-21-11-7-19(26)8-12-21/h1,3-12,15H,2,13-14H2,(H,27,29)(H,28,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of heme binding to IDO1 in interferon-gamma-induced human HeLa cells assessed as reduction in N-formylkynurenine production using L-trypto...				ACS Med Chem Lett 11: 550-557 (2020) Article DOI: 10.1021/acsmedchemlett.0c00010 BindingDB Entry DOI: 10.7270/Q2FJ2M9D
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50552948 (CHEMBL4779920) Show SMILES C[C@@H](NC(=O)c1ccc(F)cc1)c1ccc2N(CCCc2n1)c1ccncn1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDO1 in IFN-gamma-stimulated human HeLa cells assessed as reduction in kynurenine production using L-Tryptophan as substrate incubated ...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00525 BindingDB Entry DOI: 10.7270/Q20G3PS5
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50552950 (CHEMBL4783395) Show SMILES C[C@@H](NC(=O)c1ccc(F)cc1)c1ccc2N(CCCc2n1)c1ccnc(n1)C(F)(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDO1 in IFN-gamma-stimulated human HeLa cells assessed as reduction in kynurenine production using L-Tryptophan as substrate incubated ...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00525 BindingDB Entry DOI: 10.7270/Q20G3PS5
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50552950 (CHEMBL4783395) Show SMILES C[C@@H](NC(=O)c1ccc(F)cc1)c1ccc2N(CCCc2n1)c1ccnc(n1)C(F)(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDO1 in human HeLa cells				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00265 BindingDB Entry DOI: 10.7270/Q20K2DBP
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50568389 (CHEMBL4865753) Show SMILES Clc1ccc(NC(=O)C2(CCC2)c2ccc3N(CCc3n2)C(=O)OC2CC2)cc1 Show InChI	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	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human IDO1 in human Hela cells				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128214 BindingDB Entry DOI: 10.7270/Q29K4G0K
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50573262 (CHEMBL4870929) Show SMILES [H][C@@]12C[C@]1([H])c1nc(ccc1N(C2)c1ccnc(C)n1)C1(CC1)NC(=O)c1ccc(F)cc1 |r| Show InChI	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	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDO1 in human HeLa cells				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00265 BindingDB Entry DOI: 10.7270/Q20K2DBP
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50538503 (CHEMBL4645108) Show SMILES Fc1ccc(NC(=O)C2(COC2)c2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc1 Show InChI InChI=1S/C23H18ClFN2O3/c24-17-3-1-2-15(12-17)21(28)26-19-8-4-16(5-9-19)23(13-30-14-23)22(29)27-20-10-6-18(25)7-11-20/h1-12H,13-14H2,(H,26,28)(H,27,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of heme binding to IDO1 in interferon-gamma-induced human HeLa cells assessed as reduction in N-formylkynurenine production using L-trypto...				ACS Med Chem Lett 11: 550-557 (2020) Article DOI: 10.1021/acsmedchemlett.0c00010 BindingDB Entry DOI: 10.7270/Q2FJ2M9D
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50568395 (CHEMBL4848098) Show SMILES Clc1ccc(NC(=O)C2(CCC2)c2ccc3N(CCc3n2)c2ccccn2)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human IDO1 in human Hela cells				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128214 BindingDB Entry DOI: 10.7270/Q29K4G0K
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50552940 (CHEMBL4749009) Show SMILES C[C@@H](NC(=O)c1ccc(F)cc1)c1ccc2N(CCCc2n1)C(=O)OC1CC1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDO1 in IFN-gamma-stimulated human HeLa cells assessed as reduction in kynurenine production using L-Tryptophan as substrate incubated ...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00525 BindingDB Entry DOI: 10.7270/Q20G3PS5
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50568388 (CHEMBL4864878) Show SMILES Fc1ccc(NC(=O)C2(CCC2)c2ccc3N(CCc3n2)C(=O)OC2CC2)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human IDO1 in human Hela cells				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128214 BindingDB Entry DOI: 10.7270/Q29K4G0K
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50538505 (CHEMBL4635112) Show SMILES Fc1ccc(NC(=O)C2(CCC2)c2ccc(NC(=O)c3cccc(Cl)c3)nc2)cc1 Show InChI InChI=1S/C23H19ClFN3O2/c24-17-4-1-3-15(13-17)21(29)28-20-10-5-16(14-26-20)23(11-2-12-23)22(30)27-19-8-6-18(25)7-9-19/h1,3-10,13-14H,2,11-12H2,(H,27,30)(H,26,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of heme binding to IDO1 in interferon-gamma-induced human HeLa cells assessed as reduction in N-formylkynurenine production using L-trypto...				ACS Med Chem Lett 11: 550-557 (2020) Article DOI: 10.1021/acsmedchemlett.0c00010 BindingDB Entry DOI: 10.7270/Q2FJ2M9D
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50568407 (CHEMBL4849318) Show SMILES [H][C@@]12CC[C@]1([H])c1cc(ccc1N2C(=O)OC)C1(CC1)NC(=O)c1ccc(F)cc1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human IDO1 in human Hela cells				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128214 BindingDB Entry DOI: 10.7270/Q29K4G0K
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50568405 (CHEMBL4847481) Show SMILES [H][C@@]12C[C@]1([H])c1cc(ccc1N2c1ccnc(C)n1)C1(CC1)NC(=O)c1ccc(F)cc1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human IDO1 in human Hela cells				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128214 BindingDB Entry DOI: 10.7270/Q29K4G0K
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50568391 (CHEMBL4855740) Show SMILES Fc1ccc(NC(=O)C2(CCC2)c2ccc3N(CCc3n2)C(=O)c2cccc(Cl)c2)cc1 Show InChI	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	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human IDO1 in human Hela cells				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128214 BindingDB Entry DOI: 10.7270/Q29K4G0K
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50552937 (CHEMBL4788473) Show SMILES CCOC(=O)N1CCCc2nc(ccc12)[C@@H](C)NC(=O)c1ccc(F)cc1 |r| Show InChI	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	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDO1 in IFN-gamma-stimulated human HeLa cells assessed as reduction in kynurenine production using L-Tryptophan as substrate incubated ...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00525 BindingDB Entry DOI: 10.7270/Q20G3PS5
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50552930 (CHEMBL4744926) Show SMILES C[C@@H](NC(=O)c1ccc(Cl)cc1)c1ccc2N(CCOc2c1)C(=O)c1cccc(Cl)c1 |r| Show InChI	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	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDO1 in IFN-gamma-stimulated human HeLa cells assessed as reduction in kynurenine production using L-Tryptophan as substrate incubated ...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00525 BindingDB Entry DOI: 10.7270/Q20G3PS5
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50568385 (CHEMBL4877196) Show SMILES Fc1ccc(NC(=O)C2(CCC2)c2ccc3N(CCc3c2)c2ccccn2)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human IDO1 in human Hela cells				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128214 BindingDB Entry DOI: 10.7270/Q29K4G0K
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50538501 (CHEMBL4632601) Show SMILES Fc1ccc(NC(=O)C2(COC2)c2ccc(NC(=O)c3cccc(Cl)c3)cn2)cc1 Show InChI InChI=1S/C22H17ClFN3O3/c23-15-3-1-2-14(10-15)20(28)26-18-8-9-19(25-11-18)22(12-30-13-22)21(29)27-17-6-4-16(24)5-7-17/h1-11H,12-13H2,(H,26,28)(H,27,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of heme binding to IDO1 in interferon-gamma-induced human HeLa cells assessed as reduction in N-formylkynurenine production using L-trypto...				ACS Med Chem Lett 11: 550-557 (2020) Article DOI: 10.1021/acsmedchemlett.0c00010 BindingDB Entry DOI: 10.7270/Q2FJ2M9D
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50568384 (CHEMBL4873156) Show SMILES CCN(C(C)C)C(=O)N1CCc2cc(ccc12)C1(CCC1)C(=O)Nc1ccc(Cl)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human IDO1 in human Hela cells				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128214 BindingDB Entry DOI: 10.7270/Q29K4G0K
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50552949 (CHEMBL4779248) Show SMILES C[C@@H](NC(=O)c1ccc(F)cc1)c1ccc2N(CCCc2n1)c1ccnc(C)n1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDO1 in human HeLa cells				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00265 BindingDB Entry DOI: 10.7270/Q20K2DBP
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50538497 (CHEMBL4633874) Show SMILES Clc1cccc(c1)C(=O)Nc1ccc(cc1)C1(CCC1)C(=O)Nc1ccc(Cl)nc1 Show InChI InChI=1S/C23H19Cl2N3O2/c24-17-4-1-3-15(13-17)21(29)27-18-7-5-16(6-8-18)23(11-2-12-23)22(30)28-19-9-10-20(25)26-14-19/h1,3-10,13-14H,2,11-12H2,(H,27,29)(H,28,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of heme binding to IDO1 in interferon-gamma-induced human HeLa cells assessed as reduction in N-formylkynurenine production using L-trypto...				ACS Med Chem Lett 11: 550-557 (2020) Article DOI: 10.1021/acsmedchemlett.0c00010 BindingDB Entry DOI: 10.7270/Q2FJ2M9D
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50568409 (CHEMBL4863701) Show SMILES [H][C@@]12CC[C@]1([H])c1cc(ccc1N2c1ccnc(C)n1)C1(CC1)NC(=O)c1ccc(F)cc1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human IDO1 in human Hela cells				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128214 BindingDB Entry DOI: 10.7270/Q29K4G0K
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50552949 (CHEMBL4779248) Show SMILES C[C@@H](NC(=O)c1ccc(F)cc1)c1ccc2N(CCCc2n1)c1ccnc(C)n1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDO1 in IFN-gamma-stimulated human HeLa cells assessed as reduction in kynurenine production using L-Tryptophan as substrate incubated ...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00525 BindingDB Entry DOI: 10.7270/Q20G3PS5
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50568401 (CHEMBL4847565) Show SMILES Clc1ccc(cc1)C(=O)NC1(CC1)c1ccc2N(CCc2n1)C(=O)OC1CC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human IDO1 in human Hela cells				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128214 BindingDB Entry DOI: 10.7270/Q29K4G0K
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50568407 (CHEMBL4849318) Show SMILES [H][C@@]12CC[C@]1([H])c1cc(ccc1N2C(=O)OC)C1(CC1)NC(=O)c1ccc(F)cc1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human IDO1 assessed as unbound compound concentration by human whole blood assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128214 BindingDB Entry DOI: 10.7270/Q29K4G0K
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50568397 (CHEMBL4869600) Show SMILES Clc1ccc(cc1)C(=O)NC1(CCC1)c1ccc2N(CCc2n1)C(=O)OC1CC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human IDO1 in human Hela cells				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128214 BindingDB Entry DOI: 10.7270/Q29K4G0K
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50552927 (CHEMBL4799004) Show SMILES C[C@@H](NC(=O)c1ccc(Cl)cc1)c1ccc2N(CCCc2c1)C(=O)c1cccc(Cl)c1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDO1 in IFN-gamma-stimulated human HeLa cells assessed as reduction in kynurenine production using L-Tryptophan as substrate incubated ...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00525 BindingDB Entry DOI: 10.7270/Q20G3PS5
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50568408 (CHEMBL4862039) Show SMILES [H][C@]12CC[C@@]1([H])c1cc(ccc1N2c1ccnc(C)n1)C1(CC1)NC(=O)c1ccc(F)cc1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human IDO1 in human Hela cells				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128214 BindingDB Entry DOI: 10.7270/Q29K4G0K
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50568386 (CHEMBL4851625) Show SMILES Cc1nccc(n1)N1CCc2cc(ccc12)C1(CCC1)C(=O)Nc1ccc(F)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human IDO1 in human Hela cells				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128214 BindingDB Entry DOI: 10.7270/Q29K4G0K
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50568406 (CHEMBL4863227) Show SMILES [H][C@]12CC[C@@]1([H])c1cc(ccc1N2C(=O)OC)C1(CC1)NC(=O)c1ccc(F)cc1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human IDO1 in human Hela cells				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128214 BindingDB Entry DOI: 10.7270/Q29K4G0K
					More data for this Ligand-Target Pair

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