Compile Data Set for Download or QSAR

Found 417 hits with Last Name = 'ueng' and Initial = 'sh'   

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
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50000788 ((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...) Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r| Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Displacement of [3H]-naloxone from rat mu opioid receptor expressed in HEK cells after 60 mins				Bioorg Med Chem 22: 4694-703 (2014) Article DOI: 10.1016/j.bmc.2014.07.012 BindingDB Entry DOI: 10.7270/Q2H133NH
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50005429 (CHEMBL4070288) Show SMILES CCc1ccc(cc1)C(=O)NCC1N(C)CCc2ccccc12 Show InChI InChI=1S/C40H51N3O5S/c1-6-27(4)25-41-37(45)24-36(44)35(21-26(2)3)42-39(47)40(49(5)48)43-38(46)32(22-30-17-11-15-28-13-7-9-19-33(28)30)23-31-18-12-16-29-14-8-10-20-34(29)31/h7-20,26-27,32,35-36,40,44H,6,21-25H2,1-5H3,(H,41,45)(H,42,47)(H,43,46)/t27-,35+,36+,40?,49?/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Displacement of [3H]naloxone from recombinant human MOR expressed in HEK cell membranes incubated for 60 mins				Eur J Med Chem 126: 202-217 (2017) Article DOI: 10.1016/j.ejmech.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB76TS
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50007985 (CHEMBL4097865) Show SMILES CCc1ccc(cc1)C(=O)NCC1NCCc2ccccc12 Show InChI InChI=1S/C42H51ClN8O8S/c1-42(2,3)59-41(58)51-33(22-26-24-46-30-14-8-7-13-29(26)30)38(56)48-31(15-9-10-20-45-40(60)47-28-18-16-27(43)17-19-28)37(55)50-34(23-35(52)53)39(57)49-32(36(44)54)21-25-11-5-4-6-12-25/h4-8,11-14,16-19,24,31-34,46H,9-10,15,20-23H2,1-3H3,(H2,44,54)(H,48,56)(H,49,57)(H,50,55)(H,51,58)(H,52,53)(H2,45,47,60)/t31-,32?,33?,34?/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Agonist activity at human MOR expressed in HEK293 cells assessed as inhibition of forskolin-induced adenylyl cyclase-mediated cAMP accumulation after...				Eur J Med Chem 126: 202-217 (2017) Article DOI: 10.1016/j.ejmech.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB76TS
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50042064 (CHEMBL4097466) Show SMILES CN1CCc2ccccc2C1CNC(=O)c1ccc(C)cc1 Show InChI InChI=1S/C24H24N2O2/c1-26-17-11-12-18(26)14-19(13-17)28-24(27)21-15-23(16-7-3-2-4-8-16)25-22-10-6-5-9-20(21)22/h2-10,15,17-19H,11-14H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Displacement of [3H]naloxone from recombinant human MOR expressed in HEK cell membranes incubated for 60 mins				Eur J Med Chem 126: 202-217 (2017) Article DOI: 10.1016/j.ejmech.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB76TS
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50015426 (CHEMBL4070750) Show SMILES Cc1ccc(cc1)C(=O)NCC1NCCc2ccccc12 Show InChI InChI=1S/C14H13N3O4S/c1-8-11(13(18)21-2)12(16-14(15-8)22-3)9-5-4-6-10(7-9)17(19)20/h4-7H,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Displacement of [3H]naloxone from recombinant human MOR expressed in HEK cell membranes incubated for 60 mins				Eur J Med Chem 126: 202-217 (2017) Article DOI: 10.1016/j.ejmech.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB76TS
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50009239 (CHEMBL4092125) Show SMILES CN1CCc2ccccc2C1CNC(=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C42H68N8O11/c1-9-25(6)36(41(59)48-35(24(4)5)42(60)61-8)49-40(58)32-16-13-17-50(32)21-33(53)28(19-27-14-11-10-12-15-27)45-38(56)30(20-34(43)54)47-37(55)29(18-23(2)3)46-39(57)31(22-51)44-26(7)52/h10-12,14-15,23-25,28-33,35-36,51,53H,9,13,16-22H2,1-8H3,(H2,43,54)(H,44,52)(H,45,56)(H,46,57)(H,47,55)(H,48,59)(H,49,58)/t25-,28+,29-,30?,31-,32?,33+,35-,36-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	6.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Displacement of [3H]naloxone from recombinant human MOR expressed in HEK cell membranes incubated for 60 mins				Eur J Med Chem 126: 202-217 (2017) Article DOI: 10.1016/j.ejmech.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB76TS
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50008523 (CHEMBL4071332) Show SMILES CN1CCc2ccccc2C1CNC(=O)c1ccc(C)c(C)c1 Show InChI InChI=1S/C32H54N4O8/c1-4-12-22(34-30(43)24(18-21-15-10-7-11-16-21)36-31(44)32(3,33)5-2)29(42)35-23(17-20-13-8-6-9-14-20)26(39)28(41)27(40)25(38)19-37/h7,10-11,15-16,20,22-28,37-41H,4-6,8-9,12-14,17-19,33H2,1-3H3,(H,34,43)(H,35,42)(H,36,44)/t22?,23-,24?,25+,26+,27+,28+,32?/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Displacement of [3H]naloxone from recombinant human MOR expressed in HEK cell membranes incubated for 60 mins				Eur J Med Chem 126: 202-217 (2017) Article DOI: 10.1016/j.ejmech.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB76TS
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50015433 (CHEMBL4105599) Show SMILES Cc1ccc(cc1C)C(=O)NCC1NCCc2ccccc12 Show InChI InChI=1S/C16H18N4O4/c1-5-24-15(21)13-10(2)17-16(19(3)4)18-14(13)11-7-6-8-12(9-11)20(22)23/h6-9H,5H2,1-4H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Displacement of [3H]naloxone from recombinant human MOR expressed in HEK cell membranes incubated for 60 mins				Eur J Med Chem 126: 202-217 (2017) Article DOI: 10.1016/j.ejmech.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB76TS
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50008003 (CHEMBL4065924) Show SMILES Clc1ccc(cc1Cl)C(=O)NCC1NCCc2ccccc12 Show InChI InChI=1S/C43H54N8O8S/c1-26-14-8-10-18-30(26)50-41(60)45-21-13-12-20-32(38(55)49-35(24-36(52)53)40(57)48-33(37(44)54)22-27-15-6-5-7-16-27)47-39(56)34(51-42(58)59-43(2,3)4)23-28-25-46-31-19-11-9-17-29(28)31/h5-11,14-19,25,32-35,46H,12-13,20-24H2,1-4H3,(H2,44,54)(H,47,56)(H,48,57)(H,49,55)(H,51,58)(H,52,53)(H2,45,50,60)/t32-,33?,34?,35?/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Displacement of [3H]naloxone from recombinant human MOR expressed in HEK cell membranes incubated for 60 mins				Eur J Med Chem 126: 202-217 (2017) Article DOI: 10.1016/j.ejmech.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB76TS
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50055967 (CHEMBL3325714) Show SMILES Cc1nn(c2CC(C)(C)CC(=O)c12)-c1ccc(Br)cc1Br Show InChI InChI=1S/C16H16Br2N2O/c1-9-15-13(7-16(2,3)8-14(15)21)20(19-9)12-5-4-10(17)6-11(12)18/h4-6H,7-8H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Displacement of [3H]-naloxone from rat mu opioid receptor expressed in HEK cells after 60 mins				Bioorg Med Chem 22: 4694-703 (2014) Article DOI: 10.1016/j.bmc.2014.07.012 BindingDB Entry DOI: 10.7270/Q2H133NH
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50055966 (CHEMBL3325715) Show SMILES Cc1nn(c2CC(C)(C)CC(=O)c12)-c1ccc(Cl)cc1Br Show InChI InChI=1S/C16H16BrClN2O/c1-9-15-13(7-16(2,3)8-14(15)21)20(19-9)12-5-4-10(18)6-11(12)17/h4-6H,7-8H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	610	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Displacement of [3H]-naloxone from rat mu opioid receptor expressed in HEK cells after 60 mins				Bioorg Med Chem 22: 4694-703 (2014) Article DOI: 10.1016/j.bmc.2014.07.012 BindingDB Entry DOI: 10.7270/Q2H133NH
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50055965 (CHEMBL3325716) Show SMILES Cc1nn(c2CC(C)(C)CC(=O)c12)-c1ccc(C)cc1Br Show InChI InChI=1S/C17H19BrN2O/c1-10-5-6-13(12(18)7-10)20-14-8-17(3,4)9-15(21)16(14)11(2)19-20/h5-7H,8-9H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	740	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Displacement of [3H]-naloxone from rat mu opioid receptor expressed in HEK cells after 60 mins				Bioorg Med Chem 22: 4694-703 (2014) Article DOI: 10.1016/j.bmc.2014.07.012 BindingDB Entry DOI: 10.7270/Q2H133NH
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50055969 (CHEMBL3325719) Show SMILES CC1(C)Cc2c(c(nn2-c2ccc(Cl)cc2Cl)C2CC2)C(=O)C1 Show InChI InChI=1S/C18H18Cl2N2O/c1-18(2)8-14-16(15(23)9-18)17(10-3-4-10)21-22(14)13-6-5-11(19)7-12(13)20/h5-7,10H,3-4,8-9H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Displacement of [3H]-naloxone from rat mu opioid receptor expressed in HEK cells after 60 mins				Bioorg Med Chem 22: 4694-703 (2014) Article DOI: 10.1016/j.bmc.2014.07.012 BindingDB Entry DOI: 10.7270/Q2H133NH
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50055973 (CHEMBL3325707) Show SMILES Cc1nn(c2CC(C)(C)CC(=O)c12)-c1ccc(C)cc1C Show InChI InChI=1S/C18H22N2O/c1-11-6-7-14(12(2)8-11)20-15-9-18(4,5)10-16(21)17(15)13(3)19-20/h6-8H,9-10H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.93E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Displacement of [3H]-naloxone from rat mu opioid receptor expressed in HEK cells after 60 mins				Bioorg Med Chem 22: 4694-703 (2014) Article DOI: 10.1016/j.bmc.2014.07.012 BindingDB Entry DOI: 10.7270/Q2H133NH
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM21973 (1-Methyltryptophan, 1 | 2-amino-3-(1-methyl-1H-ind...) Show SMILES Cn1cc(CC(N)C(O)=O)c2ccccc12 Show InChI InChI=1S/C12H14N2O2/c1-14-7-8(6-10(13)12(15)16)9-4-2-3-5-11(9)14/h2-5,7,10H,6,13H2,1H3,(H,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	3.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of human recombinant IDO using L-tryptophan as substrate				Bioorg Med Chem Lett 24: 3403-6 (2014) Article DOI: 10.1016/j.bmcl.2014.05.084 BindingDB Entry DOI: 10.7270/Q23R0VH6
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50055972 (CHEMBL3325710) Show SMILES Cc1nn(c2CC(C)(C)CC(=O)c12)-c1ccc(Cl)cc1C Show InChI InChI=1S/C17H19ClN2O/c1-10-7-12(18)5-6-13(10)20-14-8-17(3,4)9-15(21)16(14)11(2)19-20/h5-7H,8-9H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Displacement of [3H]-naloxone from rat mu opioid receptor expressed in HEK cells after 60 mins				Bioorg Med Chem 22: 4694-703 (2014) Article DOI: 10.1016/j.bmc.2014.07.012 BindingDB Entry DOI: 10.7270/Q2H133NH
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50055964 (CHEMBL3325841) Show SMILES Cc1nn(c2CC(C)(C)CC(O)c12)-c1ccc(Br)cc1Br Show InChI InChI=1S/C16H18Br2N2O/c1-9-15-13(7-16(2,3)8-14(15)21)20(19-9)12-5-4-10(17)6-11(12)18/h4-6,14,21H,7-8H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Displacement of [3H]-naloxone from rat mu opioid receptor expressed in HEK cells after 60 mins				Bioorg Med Chem 22: 4694-703 (2014) Article DOI: 10.1016/j.bmc.2014.07.012 BindingDB Entry DOI: 10.7270/Q2H133NH
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50000296 (CHEMBL441765 | CHEMBL482811 | U-50488H | US1149237...) Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Agonist activity at human kappa opioid receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP production after 30 mins b...				Bioorg Med Chem 22: 4694-703 (2014) Article DOI: 10.1016/j.bmc.2014.07.012 BindingDB Entry DOI: 10.7270/Q2H133NH
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM21008 ((4S,7S,13S)-13-[(2S)-2-amino-3-(4-hydroxyphenyl)pr...) Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21-,23-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Agonist activity at human DOR expressed in HEK293 cells assessed as inhibition of forskolin-induced adenylyl cyclase-mediated cAMP accumulation after...				Eur J Med Chem 126: 202-217 (2017) Article DOI: 10.1016/j.ejmech.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB76TS
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50001683 (13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...) Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21+,23-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Agonist activity at human delta opioid receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP production after 30 mins b...				Bioorg Med Chem 22: 4694-703 (2014) Article DOI: 10.1016/j.bmc.2014.07.012 BindingDB Entry DOI: 10.7270/Q2H133NH
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50000296 (CHEMBL441765 | CHEMBL482811 | U-50488H | US1149237...) Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Agonist activity at human KOR expressed in HEK293 cells assessed as inhibition of forskolin-induced adenylyl cyclase-mediated cAMP accumulation after...				Eur J Med Chem 126: 202-217 (2017) Article DOI: 10.1016/j.ejmech.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB76TS
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM21015 ((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...) Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Agonist activity at human mu opioid receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP production after 30 mins by H...				Bioorg Med Chem 22: 4694-703 (2014) Article DOI: 10.1016/j.bmc.2014.07.012 BindingDB Entry DOI: 10.7270/Q2H133NH
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM21015 ((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...) Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Agonist activity at human MOR expressed in HEK293 cells assessed as inhibition of forskolin-induced adenylyl cyclase-mediated cAMP accumulation after...				Eur J Med Chem 126: 202-217 (2017) Article DOI: 10.1016/j.ejmech.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB76TS
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50520460 (CHEMBL4549501) Show SMILES S=C(NCc1cnc2scc(C#CC3CC3)n12)Nc1ccc(cc1)C#N Show InChI InChI=1S/C19H15N5S2/c20-9-14-3-6-15(7-4-14)23-18(25)21-10-17-11-22-19-24(17)16(12-26-19)8-5-13-1-2-13/h3-4,6-7,11-13H,1-2,10H2,(H2,21,23,25)	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	16	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of recombinant full-length N-terminal His-tagged human IDO1 (1 to 403 residues) expressed in Escherichia coli BL21(DE3) cells				J Med Chem 63: 1642-1659 (2020) Article DOI: 10.1021/acs.jmedchem.9b01549 BindingDB Entry DOI: 10.7270/Q26113QV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50138819 (CHEMBL3753837 | US10233190, Example 1357) Show SMILES OC(CC1c2c(cccc2F)-c2cncn12)C1CCCCC1 Show InChI InChI=1S/C18H21FN2O/c19-14-8-4-7-13-16-10-20-11-21(16)15(18(13)14)9-17(22)12-5-2-1-3-6-12/h4,7-8,10-12,15,17,22H,1-3,5-6,9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of recombinant human IDO1 assessed as conversion of N-formylkynurenine to kynurenine incubated for 1 hr by fluorescence analysis				J Med Chem 59: 282-93 (2016) Article DOI: 10.1021/acs.jmedchem.5b01390 BindingDB Entry DOI: 10.7270/Q28917QW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50584094 (CHEMBL5077002) Show SMILES O\N=C(/Nc1cccc(Br)c1)c1cc(CNC(=O)Nc2ccc(Cl)cc2)cs1 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	26	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human IDO1 protein assessed as reduction in N-formylkynurenine formation using L-tryptophan as substrate by methylene blue reagent base...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.114043 BindingDB Entry DOI: 10.7270/Q2SX6J39
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50520450 (CHEMBL4436159) Show SMILES Clc1cccc(NC(=S)NCc2cnc3scc(C#CC4CC4)n23)c1 Show InChI InChI=1S/C18H15ClN4S2/c19-13-2-1-3-14(8-13)22-17(24)20-9-16-10-21-18-23(16)15(11-25-18)7-6-12-4-5-12/h1-3,8,10-12H,4-5,9H2,(H2,20,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of recombinant full-length N-terminal His-tagged human IDO1 (1 to 403 residues) expressed in Escherichia coli BL21(DE3) cells				J Med Chem 63: 1642-1659 (2020) Article DOI: 10.1021/acs.jmedchem.9b01549 BindingDB Entry DOI: 10.7270/Q26113QV
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50127174 (CHEMBL3628599) Show SMILES CN1CCN(CC1)C(=O)c1cccc(Cn2nnc3c2C(=O)c2ccccc2C3=O)c1 Show InChI InChI=1S/C23H21N5O3/c1-26-9-11-27(12-10-26)23(31)16-6-4-5-15(13-16)14-28-20-19(24-25-28)21(29)17-7-2-3-8-18(17)22(20)30/h2-8,13H,9-12,14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of recombinant human TDO expressed in Escherichia coli incubated for 1 hr measured by fluorescence assay				J Med Chem 58: 7807-19 (2015) Article DOI: 10.1021/acs.jmedchem.5b00921 BindingDB Entry DOI: 10.7270/Q2JS9S7K
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50584075 (CHEMBL5076745) Show SMILES O\N=C(/Nc1cccc(Br)c1)c1ccc(Cl)s1 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	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human IDO1 protein assessed as reduction in N-formylkynurenine formation using L-tryptophan as substrate by methylene blue reagent base...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.114043 BindingDB Entry DOI: 10.7270/Q2SX6J39
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50145168 (CHEMBL3764319) Show SMILES CC(=O)N1CCc2cc(ccc12)S(=O)(=O)NNc1ccc(Br)cc1 Show InChI InChI=1S/C16H16BrN3O3S/c1-11(21)20-9-8-12-10-15(6-7-16(12)20)24(22,23)19-18-14-4-2-13(17)3-5-14/h2-7,10,18-19H,8-9H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of human Indoleamine 2,3-dioxygenase using L-tryptophan as substrate by emission fluorescence analysis				J Med Chem 59: 419-30 (2016) Article DOI: 10.1021/acs.jmedchem.5b01640 BindingDB Entry DOI: 10.7270/Q2FF3V69
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50145157 (CHEMBL3763166) Show SMILES Brc1ccc(NNS(=O)(=O)c2ccc3NC(=O)Cc3c2)cc1 Show InChI InChI=1S/C14H12BrN3O3S/c15-10-1-3-11(4-2-10)17-18-22(20,21)12-5-6-13-9(7-12)8-14(19)16-13/h1-7,17-18H,8H2,(H,16,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of human Indoleamine 2,3-dioxygenase using L-tryptophan as substrate by emission fluorescence analysis				J Med Chem 59: 419-30 (2016) Article DOI: 10.1021/acs.jmedchem.5b01640 BindingDB Entry DOI: 10.7270/Q2FF3V69
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50584093 (CHEMBL5087302) Show SMILES O\N=C(/Nc1cccc(Br)c1)c1cc(CNC(=O)Nc2ccc(F)cc2)cs1 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	37	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human IDO1 protein assessed as reduction in N-formylkynurenine formation using L-tryptophan as substrate by methylene blue reagent base...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.114043 BindingDB Entry DOI: 10.7270/Q2SX6J39
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50126144 (CHEMBL3629569 | US10155972, Compound NewLink 1 | U...) Show SMILES OC(CC1c2ccccc2-c2cncn12)C1CCCCC1 Show InChI InChI=1S/C18H22N2O/c21-18(13-6-2-1-3-7-13)10-16-14-8-4-5-9-15(14)17-11-19-12-20(16)17/h4-5,8-9,11-13,16,18,21H,1-3,6-7,10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of recombinant human IDO1 assessed as conversion of N-formylkynurenine to kynurenine incubated for 1 hr by fluorescence analysis				J Med Chem 59: 282-93 (2016) Article DOI: 10.1021/acs.jmedchem.5b01390 BindingDB Entry DOI: 10.7270/Q28917QW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50003238 (CHEMBL4082299) Show SMILES FC(F)(F)Oc1ccc(cc1)C(=O)NCC1NCCc2ccccc12 Show InChI InChI=1S/C23H34O5/c1-4-14(2)23(26)28-20-7-5-6-16-9-8-15(3)19(22(16)20)11-10-18-12-17(24)13-21(25)27-18/h6,8-9,14-15,17-20,22,24H,4-5,7,10-13H2,1-3H3/t14-,15-,17+,18?,19-,20-,22?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Agonist activity at human DOR expressed in HEK293 cells assessed as inhibition of forskolin-induced adenylyl cyclase-mediated cAMP accumulation after...				Eur J Med Chem 126: 202-217 (2017) Article DOI: 10.1016/j.ejmech.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB76TS
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50013629 (CHEMBL4062124) Show SMILES Fc1ccc(cc1)C(=O)NCC1NCCc2ccccc12 Show InChI InChI=1S/C40H54N8O6/c1-4-26(2)34-40(54)48-25-42-20-18-32(48)38(52)47-24-41-19-17-31(47)37(51)45(3)33(23-28-14-9-6-10-15-28)39(53)46-21-11-16-30(46)36(50)43-29(35(49)44-34)22-27-12-7-5-8-13-27/h5-10,12-15,26,29-34,41-42H,4,11,16-25H2,1-3H3,(H,43,50)(H,44,49)/t26-,29+,30-,31-,32+,33+,34-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Agonist activity at human DOR expressed in HEK293 cells assessed as inhibition of forskolin-induced adenylyl cyclase-mediated cAMP accumulation after...				Eur J Med Chem 126: 202-217 (2017) Article DOI: 10.1016/j.ejmech.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB76TS
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50520449 (CHEMBL4459210) Show SMILES Clc1cccc(NC(=O)NCc2cnc3scc(C#CC4CC4)n23)c1 Show InChI InChI=1S/C18H15ClN4OS/c19-13-2-1-3-14(8-13)22-17(24)20-9-16-10-21-18-23(16)15(11-25-18)7-6-12-4-5-12/h1-3,8,10-12H,4-5,9H2,(H2,20,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of recombinant full-length N-terminal His-tagged human IDO1 (1 to 403 residues) expressed in Escherichia coli BL21(DE3) cells				J Med Chem 63: 1642-1659 (2020) Article DOI: 10.1021/acs.jmedchem.9b01549 BindingDB Entry DOI: 10.7270/Q26113QV
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50046105 (CHEMBL3310843) Show SMILES Cc1cccc(NNS(=O)(=O)c2ccc(cc2)S(C)(=O)=O)c1 Show InChI InChI=1S/C14H16N2O4S2/c1-11-4-3-5-12(10-11)15-16-22(19,20)14-8-6-13(7-9-14)21(2,17)18/h3-10,15-16H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of human recombinant IDO expressed in Escherichia coli using N-formylkynurenine as substrate incubated for 1 hr prior to NaOH addition mea...				Bioorg Med Chem Lett 24: 3403-6 (2014) Article DOI: 10.1016/j.bmcl.2014.05.084 BindingDB Entry DOI: 10.7270/Q23R0VH6
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50145166 (CHEMBL3763493) Show SMILES Cn1c2ccc(cc2n(C)c1=O)S(=O)(=O)NNc1ccc(Br)cc1 Show InChI InChI=1S/C15H15BrN4O3S/c1-19-13-8-7-12(9-14(13)20(2)15(19)21)24(22,23)18-17-11-5-3-10(16)4-6-11/h3-9,17-18H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of human Indoleamine 2,3-dioxygenase using L-tryptophan as substrate by emission fluorescence analysis				J Med Chem 59: 419-30 (2016) Article DOI: 10.1021/acs.jmedchem.5b01640 BindingDB Entry DOI: 10.7270/Q2FF3V69
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50127173 (CHEMBL3628598) Show SMILES O=C(N1CCOCC1)c1cccc(Cn2nnc3c2C(=O)c2ccccc2C3=O)c1 Show InChI InChI=1S/C22H18N4O4/c27-20-16-6-1-2-7-17(16)21(28)19-18(20)23-24-26(19)13-14-4-3-5-15(12-14)22(29)25-8-10-30-11-9-25/h1-7,12H,8-11,13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of recombinant human TDO expressed in Escherichia coli incubated for 1 hr measured by fluorescence assay				J Med Chem 58: 7807-19 (2015) Article DOI: 10.1021/acs.jmedchem.5b00921 BindingDB Entry DOI: 10.7270/Q2JS9S7K
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM80319 (MLS001171649 | N-[4-(m-toluidinosulfamoyl)phenyl]a...) Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)NNc1cccc(C)c1 Show InChI InChI=1S/C15H17N3O3S/c1-11-4-3-5-14(10-11)17-18-22(20,21)15-8-6-13(7-9-15)16-12(2)19/h3-10,17-18H,1-2H3,(H,16,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of human recombinant IDO expressed in Escherichia coli using N-formylkynurenine as substrate incubated for 1 hr prior to NaOH addition mea...				Bioorg Med Chem Lett 24: 3403-6 (2014) Article DOI: 10.1016/j.bmcl.2014.05.084 BindingDB Entry DOI: 10.7270/Q23R0VH6
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50009239 (CHEMBL4092125) Show SMILES CN1CCc2ccccc2C1CNC(=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C42H68N8O11/c1-9-25(6)36(41(59)48-35(24(4)5)42(60)61-8)49-40(58)32-16-13-17-50(32)21-33(53)28(19-27-14-11-10-12-15-27)45-38(56)30(20-34(43)54)47-37(55)29(18-23(2)3)46-39(57)31(22-51)44-26(7)52/h10-12,14-15,23-25,28-33,35-36,51,53H,9,13,16-22H2,1-8H3,(H2,43,54)(H,44,52)(H,45,56)(H,46,57)(H,47,55)(H,48,59)(H,49,58)/t25-,28+,29-,30?,31-,32?,33+,35-,36-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Agonist activity at human MOR expressed in HEK293 cells assessed as inhibition of forskolin-induced adenylyl cyclase-mediated cAMP accumulation after...				Eur J Med Chem 126: 202-217 (2017) Article DOI: 10.1016/j.ejmech.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB76TS
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50007981 (CHEMBL4100317) Show SMILES COc1ccc(cc1)C(=O)NCC1NCCc2ccccc12 Show InChI InChI=1S/C42H51ClN8O8S/c1-42(2,3)59-41(58)51-33(22-26-24-46-29-17-9-7-15-27(26)29)38(56)47-31(19-11-12-20-45-40(60)50-30-18-10-8-16-28(30)43)37(55)49-34(23-35(52)53)39(57)48-32(36(44)54)21-25-13-5-4-6-14-25/h4-10,13-18,24,31-34,46H,11-12,19-23H2,1-3H3,(H2,44,54)(H,47,56)(H,48,57)(H,49,55)(H,51,58)(H,52,53)(H2,45,50,60)/t31-,32?,33?,34?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Agonist activity at human KOR expressed in HEK293 cells assessed as inhibition of forskolin-induced adenylyl cyclase-mediated cAMP accumulation after...				Eur J Med Chem 126: 202-217 (2017) Article DOI: 10.1016/j.ejmech.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB76TS
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50046106 (CHEMBL3310847) Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)NNc1ccc(C)cc1 Show InChI InChI=1S/C15H17N3O3S/c1-11-3-5-14(6-4-11)17-18-22(20,21)15-9-7-13(8-10-15)16-12(2)19/h3-10,17-18H,1-2H3,(H,16,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of human recombinant IDO expressed in Escherichia coli using N-formylkynurenine as substrate incubated for 1 hr prior to NaOH addition mea...				Bioorg Med Chem Lett 24: 3403-6 (2014) Article DOI: 10.1016/j.bmcl.2014.05.084 BindingDB Entry DOI: 10.7270/Q23R0VH6
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50145159 (CHEMBL3765205) Show SMILES FC1(F)C(=O)Nc2ccc(cc12)S(=O)(=O)NNc1ccc(Br)cc1 Show InChI InChI=1S/C14H10BrF2N3O3S/c15-8-1-3-9(4-2-8)19-20-24(22,23)10-5-6-12-11(7-10)14(16,17)13(21)18-12/h1-7,19-20H,(H,18,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of human Indoleamine 2,3-dioxygenase using L-tryptophan as substrate by emission fluorescence analysis				J Med Chem 59: 419-30 (2016) Article DOI: 10.1021/acs.jmedchem.5b01640 BindingDB Entry DOI: 10.7270/Q2FF3V69
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50145164 (CHEMBL3765698) Show SMILES Oc1nc2cc(ccc2[nH]1)S(=O)(=O)NNc1ccc(Br)cc1 Show InChI InChI=1S/C13H11BrN4O3S/c14-8-1-3-9(4-2-8)17-18-22(20,21)10-5-6-11-12(7-10)16-13(19)15-11/h1-7,17-18H,(H2,15,16,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of human Indoleamine 2,3-dioxygenase using L-tryptophan as substrate by emission fluorescence analysis				J Med Chem 59: 419-30 (2016) Article DOI: 10.1021/acs.jmedchem.5b01640 BindingDB Entry DOI: 10.7270/Q2FF3V69
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50046107 (CHEMBL3310860) Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)NNc1ccc(Br)c(C)c1 Show InChI InChI=1S/C15H16BrN3O3S/c1-10-9-13(5-8-15(10)16)18-19-23(21,22)14-6-3-12(4-7-14)17-11(2)20/h3-9,18-19H,1-2H3,(H,17,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of human recombinant IDO expressed in Escherichia coli using N-formylkynurenine as substrate incubated for 1 hr prior to NaOH addition mea...				Bioorg Med Chem Lett 24: 3403-6 (2014) Article DOI: 10.1016/j.bmcl.2014.05.084 BindingDB Entry DOI: 10.7270/Q23R0VH6
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50046109 (CHEMBL3310845) Show SMILES Cc1cccc(NNS(=O)(=O)c2ccc(Oc3ccc(cn3)C(F)(F)F)cc2)c1 Show InChI InChI=1S/C19H16F3N3O3S/c1-13-3-2-4-15(11-13)24-25-29(26,27)17-8-6-16(7-9-17)28-18-10-5-14(12-23-18)19(20,21)22/h2-12,24-25H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of human recombinant IDO expressed in Escherichia coli using N-formylkynurenine as substrate incubated for 1 hr prior to NaOH addition mea...				Bioorg Med Chem Lett 24: 3403-6 (2014) Article DOI: 10.1016/j.bmcl.2014.05.084 BindingDB Entry DOI: 10.7270/Q23R0VH6
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50046108 (CHEMBL3310844) Show SMILES Cc1cccc(NNS(=O)(=O)c2ccc(cc2)C#N)c1 Show InChI InChI=1S/C14H13N3O2S/c1-11-3-2-4-13(9-11)16-17-20(18,19)14-7-5-12(10-15)6-8-14/h2-9,16-17H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of human recombinant IDO expressed in Escherichia coli using N-formylkynurenine as substrate incubated for 1 hr prior to NaOH addition mea...				Bioorg Med Chem Lett 24: 3403-6 (2014) Article DOI: 10.1016/j.bmcl.2014.05.084 BindingDB Entry DOI: 10.7270/Q23R0VH6
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50127164 (CHEMBL3628597) Show SMILES CC(=O)N1CCN(CC1)C(=O)c1cccc(Cn2nnc3c2C(=O)c2ccccc2C3=O)c1 Show InChI InChI=1S/C24H21N5O4/c1-15(30)27-9-11-28(12-10-27)24(33)17-6-4-5-16(13-17)14-29-21-20(25-26-29)22(31)18-7-2-3-8-19(18)23(21)32/h2-8,13H,9-12,14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of recombinant human TDO expressed in Escherichia coli incubated for 1 hr measured by fluorescence assay				J Med Chem 58: 7807-19 (2015) Article DOI: 10.1021/acs.jmedchem.5b00921 BindingDB Entry DOI: 10.7270/Q2JS9S7K
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50046110 (CHEMBL3310981) Show SMILES OC(=O)c1ccc(cc1)S(=O)(=O)NNc1ccc(Br)cc1 Show InChI InChI=1S/C13H11BrN2O4S/c14-10-3-5-11(6-4-10)15-16-21(19,20)12-7-1-9(2-8-12)13(17)18/h1-8,15-16H,(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of human recombinant IDO expressed in Escherichia coli using N-formylkynurenine as substrate incubated for 1 hr prior to NaOH addition mea...				Bioorg Med Chem Lett 24: 3403-6 (2014) Article DOI: 10.1016/j.bmcl.2014.05.084 BindingDB Entry DOI: 10.7270/Q23R0VH6
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 417 total )  |  Next  |  Last  >>

Jump to: