Compile Data Set for Download or QSAR

Found 52 hits with Last Name = 'nielsen' and Initial = 'cu'   

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))	BDBM50010488 (CHEMBL3264361) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](COCc1cn(nn1)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C(N)=O |r| Show InChI InChI=1S/C38H55N11O11/c1-19-11-23(51)12-20(2)24(19)14-25(39)34(56)44-26(9-6-10-43-38(41)42)35(57)45-27(13-21-7-4-3-5-8-21)36(58)46-28(33(40)55)18-59-17-22-15-49(48-47-22)37-32(54)31(53)30(52)29(16-50)60-37/h3-5,7-8,11-12,15,25-32,37,50-54H,6,9-10,13-14,16-18,39H2,1-2H3,(H2,40,55)(H,44,56)(H,45,57)(H,46,58)(H4,41,42,43)/t25-,26+,27-,28-,29+,30-,31-,32+,37+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.112	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in rat brain membranes				ACS Med Chem Lett 5: 352-357 (2014) Article DOI: 10.1021/ml4004765 BindingDB Entry DOI: 10.7270/Q2VM4DSC
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50010483 (CHEMBL2181202) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C32H49N9O5/c1-19-15-22(42)16-20(2)23(19)18-24(34)29(44)40-26(12-8-14-38-32(36)37)30(45)41-27(17-21-9-4-3-5-10-21)31(46)39-25(28(35)43)11-6-7-13-33/h3-5,9-10,15-16,24-27,42H,6-8,11-14,17-18,33-34H2,1-2H3,(H2,35,43)(H,39,46)(H,40,44)(H,41,45)(H4,36,37,38)/t24-,25-,26+,27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.143	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in rat brain membranes				ACS Med Chem Lett 5: 352-357 (2014) Article DOI: 10.1021/ml4004765 BindingDB Entry DOI: 10.7270/Q2VM4DSC
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50010487 (CHEMBL3264360) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cn(nn1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(N)=O |r| Show InChI InChI=1S/C37H53N11O10/c1-18-11-22(50)12-19(2)23(18)15-24(38)33(55)43-25(9-6-10-42-37(40)41)34(56)45-27(13-20-7-4-3-5-8-20)35(57)44-26(32(39)54)14-21-16-48(47-46-21)36-31(53)30(52)29(51)28(17-49)58-36/h3-5,7-8,11-12,16,24-31,36,49-53H,6,9-10,13-15,17,38H2,1-2H3,(H2,39,54)(H,43,55)(H,44,57)(H,45,56)(H4,40,41,42)/t24-,25+,26-,27-,28+,29+,30-,31+,36+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.203	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in rat brain membranes				ACS Med Chem Lett 5: 352-357 (2014) Article DOI: 10.1021/ml4004765 BindingDB Entry DOI: 10.7270/Q2VM4DSC
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50010486 (CHEMBL3264359) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cn(nn1)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C(N)=O |r| Show InChI InChI=1S/C37H53N11O10/c1-18-11-22(50)12-19(2)23(18)15-24(38)33(55)43-25(9-6-10-42-37(40)41)34(56)45-27(13-20-7-4-3-5-8-20)35(57)44-26(32(39)54)14-21-16-48(47-46-21)36-31(53)30(52)29(51)28(17-49)58-36/h3-5,7-8,11-12,16,24-31,36,49-53H,6,9-10,13-15,17,38H2,1-2H3,(H2,39,54)(H,43,55)(H,44,57)(H,45,56)(H4,40,41,42)/t24-,25+,26-,27-,28+,29-,30-,31+,36+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.222	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in rat brain membranes				ACS Med Chem Lett 5: 352-357 (2014) Article DOI: 10.1021/ml4004765 BindingDB Entry DOI: 10.7270/Q2VM4DSC
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50010489 (CHEMBL3264362) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(OCc2cn(nn2)[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1)C(N)=O |r| Show InChI InChI=1S/C44H59N11O11/c1-23-15-28(57)16-24(2)30(23)19-31(45)40(62)50-32(9-6-14-49-44(47)48)41(63)52-34(18-25-7-4-3-5-8-25)42(64)51-33(39(46)61)17-26-10-12-29(13-11-26)65-22-27-20-55(54-53-27)43-38(60)37(59)36(58)35(21-56)66-43/h3-5,7-8,10-13,15-16,20,31-38,43,56-60H,6,9,14,17-19,21-22,45H2,1-2H3,(H2,46,61)(H,50,62)(H,51,64)(H,52,63)(H4,47,48,49)/t31-,32+,33-,34-,35+,36-,37-,38+,43+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.286	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in rat brain membranes				ACS Med Chem Lett 5: 352-357 (2014) Article DOI: 10.1021/ml4004765 BindingDB Entry DOI: 10.7270/Q2VM4DSC
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50016867 ((S)-6-Amino-2-((S)-2-{(R)-2-[(S)-2-amino-3-(4-hydr...) Show SMILES NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O Show InChI InChI=1S/C30H45N9O5/c31-15-5-4-9-23(26(33)41)37-29(44)25(18-19-7-2-1-3-8-19)39-28(43)24(10-6-16-36-30(34)35)38-27(42)22(32)17-20-11-13-21(40)14-12-20/h1-3,7-8,11-14,22-25,40H,4-6,9-10,15-18,31-32H2,(H2,33,41)(H,37,44)(H,38,42)(H,39,43)(H4,34,35,36)/t22-,23-,24+,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in rat brain membranes				ACS Med Chem Lett 5: 352-357 (2014) Article DOI: 10.1021/ml4004765 BindingDB Entry DOI: 10.7270/Q2VM4DSC
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50010488 (CHEMBL3264361) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](COCc1cn(nn1)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C(N)=O |r| Show InChI InChI=1S/C38H55N11O11/c1-19-11-23(51)12-20(2)24(19)14-25(39)34(56)44-26(9-6-10-43-38(41)42)35(57)45-27(13-21-7-4-3-5-8-21)36(58)46-28(33(40)55)18-59-17-22-15-49(48-47-22)37-32(54)31(53)30(52)29(16-50)60-37/h3-5,7-8,11-12,15,25-32,37,50-54H,6,9-10,13-14,16-18,39H2,1-2H3,(H2,40,55)(H,44,56)(H,45,57)(H,46,58)(H4,41,42,43)/t25-,26+,27-,28-,29+,30-,31-,32+,37+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Displacement of [3H]DSLET from delta opioid receptor in rat brain membranes				ACS Med Chem Lett 5: 352-357 (2014) Article DOI: 10.1021/ml4004765 BindingDB Entry DOI: 10.7270/Q2VM4DSC
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50010487 (CHEMBL3264360) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cn(nn1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(N)=O |r| Show InChI InChI=1S/C37H53N11O10/c1-18-11-22(50)12-19(2)23(18)15-24(38)33(55)43-25(9-6-10-42-37(40)41)34(56)45-27(13-20-7-4-3-5-8-20)35(57)44-26(32(39)54)14-21-16-48(47-46-21)36-31(53)30(52)29(51)28(17-49)58-36/h3-5,7-8,11-12,16,24-31,36,49-53H,6,9-10,13-15,17,38H2,1-2H3,(H2,39,54)(H,43,55)(H,44,57)(H,45,56)(H4,40,41,42)/t24-,25+,26-,27-,28+,29+,30-,31+,36+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Displacement of [3H]DSLET from delta opioid receptor in rat brain membranes				ACS Med Chem Lett 5: 352-357 (2014) Article DOI: 10.1021/ml4004765 BindingDB Entry DOI: 10.7270/Q2VM4DSC
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50010486 (CHEMBL3264359) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cn(nn1)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C(N)=O |r| Show InChI InChI=1S/C37H53N11O10/c1-18-11-22(50)12-19(2)23(18)15-24(38)33(55)43-25(9-6-10-42-37(40)41)34(56)45-27(13-20-7-4-3-5-8-20)35(57)44-26(32(39)54)14-21-16-48(47-46-21)36-31(53)30(52)29(51)28(17-49)58-36/h3-5,7-8,11-12,16,24-31,36,49-53H,6,9-10,13-15,17,38H2,1-2H3,(H2,39,54)(H,43,55)(H,44,57)(H,45,56)(H4,40,41,42)/t24-,25+,26-,27-,28+,29-,30-,31+,36+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Displacement of [3H]DSLET from delta opioid receptor in rat brain membranes				ACS Med Chem Lett 5: 352-357 (2014) Article DOI: 10.1021/ml4004765 BindingDB Entry DOI: 10.7270/Q2VM4DSC
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50010489 (CHEMBL3264362) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(OCc2cn(nn2)[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1)C(N)=O |r| Show InChI InChI=1S/C44H59N11O11/c1-23-15-28(57)16-24(2)30(23)19-31(45)40(62)50-32(9-6-14-49-44(47)48)41(63)52-34(18-25-7-4-3-5-8-25)42(64)51-33(39(46)61)17-26-10-12-29(13-11-26)65-22-27-20-55(54-53-27)43-38(60)37(59)36(58)35(21-56)66-43/h3-5,7-8,10-13,15-16,20,31-38,43,56-60H,6,9,14,17-19,21-22,45H2,1-2H3,(H2,46,61)(H,50,62)(H,51,64)(H,52,63)(H4,47,48,49)/t31-,32+,33-,34-,35+,36-,37-,38+,43+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Displacement of [3H]DSLET from delta opioid receptor in rat brain membranes				ACS Med Chem Lett 5: 352-357 (2014) Article DOI: 10.1021/ml4004765 BindingDB Entry DOI: 10.7270/Q2VM4DSC
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50010484 (CHEMBL3264358) Show SMILES NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1ccc(OCc2cn(nn2)[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1)C(N)=O |r| Show InChI InChI=1S/C39H58N12O10/c40-15-5-4-9-27(34(42)56)46-37(59)29(18-22-7-2-1-3-8-22)48-36(58)28(10-6-16-45-39(43)44)47-35(57)26(41)17-23-11-13-25(14-12-23)60-21-24-19-51(50-49-24)38-33(55)32(54)31(53)30(20-52)61-38/h1-3,7-8,11-14,19,26-33,38,52-55H,4-6,9-10,15-18,20-21,40-41H2,(H2,42,56)(H,46,59)(H,47,57)(H,48,58)(H4,43,44,45)/t26-,27-,28+,29-,30+,31-,32-,33+,38+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in rat brain membranes				ACS Med Chem Lett 5: 352-357 (2014) Article DOI: 10.1021/ml4004765 BindingDB Entry DOI: 10.7270/Q2VM4DSC
					More data for this Ligand-Target Pair
Solute carrier family 15 member 1 (Homo sapiens (Human))	BDBM50139892 ((S)-2-((S)-2-Amino-3-phenyl-propionylamino)-propio...) Show SMILES C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(O)=O Show InChI InChI=1S/C12H16N2O3/c1-8(12(16)17)14-11(15)10(13)7-9-5-3-2-4-6-9/h2-6,8,10H,7,13H2,1H3,(H,14,15)(H,16,17)/t8-,10-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tromsø Curated by ChEMBL					Assay Description Affinity fo the compound against human Intestinal peptide transporter PepT1 in Caco-2 cells was measured as inhibition of [14C]-Gly-Sar uptake				J Med Chem 47: 1060-9 (2004) Article DOI: 10.1021/jm031022+ BindingDB Entry DOI: 10.7270/Q2DF6QMV
					More data for this Ligand-Target Pair
Solute carrier family 15 member 1 (Homo sapiens (Human))	BDBM50139894 (((S)-2-Amino-3-phenyl-propionylamino)-acetic acid ...) Show SMILES N[C@@H](Cc1ccccc1)C(=O)NCC(O)=O Show InChI InChI=1S/C11H14N2O3/c12-9(11(16)13-7-10(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,13,16)(H,14,15)/t9-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tromsø Curated by ChEMBL					Assay Description Affinity fo the compound against human Intestinal peptide transporter PepT1 in Caco-2 cells was measured as inhibition of [14C]-Gly-Sar uptake				J Med Chem 47: 1060-9 (2004) Article DOI: 10.1021/jm031022+ BindingDB Entry DOI: 10.7270/Q2DF6QMV
					More data for this Ligand-Target Pair
Solute carrier family 15 member 1 (Homo sapiens (Human))	BDBM50139890 ((S)-5-Amino-4-oxo-6-phenyl-hexanoic acid | CHEMBL1...) Show SMILES N[C@@H](Cc1ccccc1)C(=O)CCC(O)=O Show InChI InChI=1S/C12H15NO3/c13-10(11(14)6-7-12(15)16)8-9-4-2-1-3-5-9/h1-5,10H,6-8,13H2,(H,15,16)/t10-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tromsø Curated by ChEMBL					Assay Description Affinity fo the compound against human Intestinal peptide transporter PepT1 in Caco-2 cells was measured as inhibition of [14C]-Gly-Sar uptake				J Med Chem 47: 1060-9 (2004) Article DOI: 10.1021/jm031022+ BindingDB Entry DOI: 10.7270/Q2DF6QMV
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50010483 (CHEMBL2181202) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C32H49N9O5/c1-19-15-22(42)16-20(2)23(19)18-24(34)29(44)40-26(12-8-14-38-32(36)37)30(45)41-27(17-21-9-4-3-5-10-21)31(46)39-25(28(35)43)11-6-7-13-33/h3-5,9-10,15-16,24-27,42H,6-8,11-14,17-18,33-34H2,1-2H3,(H2,35,43)(H,39,46)(H,40,44)(H,41,45)(H4,36,37,38)/t24-,25-,26+,27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Displacement of [3H]DSLET from delta opioid receptor in rat brain membranes				ACS Med Chem Lett 5: 352-357 (2014) Article DOI: 10.1021/ml4004765 BindingDB Entry DOI: 10.7270/Q2VM4DSC
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50010484 (CHEMBL3264358) Show SMILES NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1ccc(OCc2cn(nn2)[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1)C(N)=O |r| Show InChI InChI=1S/C39H58N12O10/c40-15-5-4-9-27(34(42)56)46-37(59)29(18-22-7-2-1-3-8-22)48-36(58)28(10-6-16-45-39(43)44)47-35(57)26(41)17-23-11-13-25(14-12-23)60-21-24-19-51(50-49-24)38-33(55)32(54)31(53)30(20-52)61-38/h1-3,7-8,11-14,19,26-33,38,52-55H,4-6,9-10,15-18,20-21,40-41H2,(H2,42,56)(H,46,59)(H,47,57)(H,48,58)(H4,43,44,45)/t26-,27-,28+,29-,30+,31-,32-,33+,38+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Displacement of [3H]DSLET from delta opioid receptor in rat brain membranes				ACS Med Chem Lett 5: 352-357 (2014) Article DOI: 10.1021/ml4004765 BindingDB Entry DOI: 10.7270/Q2VM4DSC
					More data for this Ligand-Target Pair
Solute carrier family 15 member 1 (Homo sapiens (Human))	BDBM50152064 (2-(3-Amino-4-methyl-2-oxo-pentyl)-succinic acid 4-...) Show SMILES CC(C)[C@H](N)C(=O)C[C@@H](CC(=O)OCc1ccccc1)C(O)=O Show InChI InChI=1S/C17H23NO5/c1-11(2)16(18)14(19)8-13(17(21)22)9-15(20)23-10-12-6-4-3-5-7-12/h3-7,11,13,16H,8-10,18H2,1-2H3,(H,21,22)/t13-,16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt 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
University of Tromsø Curated by ChEMBL					Assay Description Affinity for hPEPT1 in mature Caco-2 cell monolayers using [14C]-Gly-Sar				J Med Chem 47: 4755-65 (2004) Article DOI: 10.1021/jm040780c BindingDB Entry DOI: 10.7270/Q2WM1CWG
					More data for this Ligand-Target Pair
Solute carrier family 15 member 1 (Homo sapiens (Human))	BDBM50139893 ((E)-(S)-5-Amino-4-(S)-hydroxy-6-phenyl-hex-2-enoic...) Show SMILES N[C@@H](Cc1ccccc1)[C@@H](O)\C=C\C(O)=O Show InChI InChI=1S/C12H15NO3/c13-10(11(14)6-7-12(15)16)8-9-4-2-1-3-5-9/h1-7,10-11,14H,8,13H2,(H,15,16)/b7-6+/t10-,11-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.98E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tromsø Curated by ChEMBL					Assay Description Affinity fo the compound against human Intestinal peptide transporter PepT1 in Caco-2 cells was measured as inhibition of [14C]-Gly-Sar uptake				J Med Chem 47: 1060-9 (2004) Article DOI: 10.1021/jm031022+ BindingDB Entry DOI: 10.7270/Q2DF6QMV
					More data for this Ligand-Target Pair
Solute carrier family 15 member 1 (Homo sapiens (Human))	BDBM50152062 (2-(3-Amino-2-oxo-4-phenyl-butyl)-succinic acid 4-b...) Show SMILES N[C@@H](Cc1ccccc1)C(=O)C[C@@H](CC(=O)OCc1ccccc1)C(O)=O Show InChI InChI=1S/C21H23NO5/c22-18(11-15-7-3-1-4-8-15)19(23)12-17(21(25)26)13-20(24)27-14-16-9-5-2-6-10-16/h1-10,17-18H,11-14,22H2,(H,25,26)/t17-,18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tromsø Curated by ChEMBL					Assay Description Affinity for hPEPT1 in mature Caco-2 cell monolayers using [14C]-Gly-Sar				J Med Chem 47: 4755-65 (2004) Article DOI: 10.1021/jm040780c BindingDB Entry DOI: 10.7270/Q2WM1CWG
					More data for this Ligand-Target Pair
Solute carrier family 15 member 1 (Homo sapiens (Human))	BDBM50152063 (5-Amino-6-methyl-4-oxo-heptanoic acid benzyl ester...) Show SMILES CC(C)[C@H](N)C(=O)CCC(=O)OCc1ccccc1 Show InChI InChI=1S/C15H21NO3/c1-11(2)15(16)13(17)8-9-14(18)19-10-12-6-4-3-5-7-12/h3-7,11,15H,8-10,16H2,1-2H3/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tromsø Curated by ChEMBL					Assay Description Affinity for hPEPT1 in mature Caco-2 cell monolayers using [14C]-Gly-Sar				J Med Chem 47: 4755-65 (2004) Article DOI: 10.1021/jm040780c BindingDB Entry DOI: 10.7270/Q2WM1CWG
					More data for this Ligand-Target Pair
Solute carrier family 15 member 1 (Homo sapiens (Human))	BDBM50420184 (CHEMBL2074601) Show SMILES CN(CC(O)=O)C(=O)[C@@H](N)CC(O)C(=O)OCn1cc(C)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C14H20N4O8/c1-7-4-18(14(25)16-11(7)22)6-26-13(24)9(19)3-8(15)12(23)17(2)5-10(20)21/h4,8-9,19H,3,5-6,15H2,1-2H3,(H,20,21)(H,16,22,25)/t8-,9?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	2.10E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Royal Danish School of Pharmacy Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of Gly-Sar uptake in Caco-2 cells				J Control Release 86: 279-92 (2003) BindingDB Entry DOI: 10.7270/Q27H1KVK
					More data for this Ligand-Target Pair
Solute carrier family 15 member 1 (Homo sapiens (Human))	BDBM50420183 (CHEMBL1823468) Show SMILES CN(CC([O-])=O)C(=O)[C@@H]([NH3+])CCC(=O)OCCOCn1cnc2c1nc(N)[nH]c2=O |r| Show InChI InChI=1S/C16H23N7O7/c1-22(6-10(24)25)15(28)9(17)2-3-11(26)30-5-4-29-8-23-7-19-12-13(23)20-16(18)21-14(12)27/h7,9H,2-6,8,17H2,1H3,(H,24,25)(H3,18,20,21,27)/t9-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	2.80E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Royal Danish School of Pharmacy Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of Gly-Sar uptake in Caco-2 cells				J Control Release 86: 279-92 (2003) BindingDB Entry DOI: 10.7270/Q27H1KVK
					More data for this Ligand-Target Pair
Solute carrier family 15 member 1 (Homo sapiens (Human))	BDBM50152065 (3-Amino-4-oxo-heptanedioic acid 1-benzyl ester | C...) Show SMILES NC(CC(=O)OCc1ccccc1)C(=O)CCC(O)=O Show InChI InChI=1S/C14H17NO5/c15-11(12(16)6-7-13(17)18)8-14(19)20-9-10-4-2-1-3-5-10/h1-5,11H,6-9,15H2,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.17E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tromsø Curated by ChEMBL					Assay Description Affinity for hPEPT1 in mature Caco-2 cell monolayers using [14C]-Gly-Sar				J Med Chem 47: 4755-65 (2004) Article DOI: 10.1021/jm040780c BindingDB Entry DOI: 10.7270/Q2WM1CWG
					More data for this Ligand-Target Pair
Solute carrier family 15 member 1 (Homo sapiens (Human))	BDBM50152066 (5-Amino-4-oxo-6-phenyl-hexanoic acid benzyl ester ...) Show SMILES N[C@@H](Cc1ccccc1)C(=O)CCC(=O)OCc1ccccc1 Show InChI InChI=1S/C19H21NO3/c20-17(13-15-7-3-1-4-8-15)18(21)11-12-19(22)23-14-16-9-5-2-6-10-16/h1-10,17H,11-14,20H2/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.05E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tromsø Curated by ChEMBL					Assay Description Affinity for hPEPT1 in mature Caco-2 cell monolayers using [14C]-Gly-Sar				J Med Chem 47: 4755-65 (2004) Article DOI: 10.1021/jm040780c BindingDB Entry DOI: 10.7270/Q2WM1CWG
					More data for this Ligand-Target Pair
Solute carrier family 15 member 1 (Homo sapiens (Human))	BDBM50418932 (CHEMBL1807354) Show SMILES [NH3+][C@@H](Cc1ccccc1)C(=O)C[C@@H](COC(=O)c1ccccc1)C(=O)N[C@@H](C1CCCCC1)C(O)=O |r| Show InChI InChI=1S/C28H34N2O6/c29-23(16-19-10-4-1-5-11-19)24(31)17-22(18-36-28(35)21-14-8-3-9-15-21)26(32)30-25(27(33)34)20-12-6-2-7-13-20/h1,3-5,8-11,14-15,20,22-23,25H,2,6-7,12-13,16-18,29H2,(H,30,32)(H,33,34)/p+1/t22-,23-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.68E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Binding affinity to PEPT1 in human Caco2 cells assessed as inhibition of [14C]Gly-Sar apical uptake after 5 mins by liquid scintillation counting				Bioorg Med Chem Lett 21: 4597-601 (2011) Article DOI: 10.1016/j.bmcl.2011.05.108 BindingDB Entry DOI: 10.7270/Q2VM4DHS
					More data for this Ligand-Target Pair
Solute carrier family 15 member 1 (Homo sapiens (Human))	BDBM50418933 (CHEMBL1807356) Show SMILES CCC[C@H](NC(=O)[C@H](COC(=O)c1ccccc1)NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C24H29N3O6/c1-2-9-19(23(30)31)26-22(29)20(15-33-24(32)17-12-7-4-8-13-17)27-21(28)18(25)14-16-10-5-3-6-11-16/h3-8,10-13,18-20H,2,9,14-15,25H2,1H3,(H,26,29)(H,27,28)(H,30,31)/p+1/t18-,19-,20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	1.23E+8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Binding affinity to PEPT1 in human Caco2 cells assessed as inhibition of [14C]Gly-Sar apical uptake after 5 mins by liquid scintillation counting				Bioorg Med Chem Lett 21: 4597-601 (2011) Article DOI: 10.1016/j.bmcl.2011.05.108 BindingDB Entry DOI: 10.7270/Q2VM4DHS
					More data for this Ligand-Target Pair
Solute carrier family 15 member 1 (Homo sapiens (Human))	BDBM50418934 (CHEMBL1807357) Show SMILES [NH3+][C@@H](Cc1ccccc1)C(=O)N[C@@H](COC(=O)c1ccccc1)C(=O)N[C@@H](C1CCCCC1)C(O)=O |r| Show InChI InChI=1S/C27H33N3O6/c28-21(16-18-10-4-1-5-11-18)24(31)29-22(17-36-27(35)20-14-8-3-9-15-20)25(32)30-23(26(33)34)19-12-6-2-7-13-19/h1,3-5,8-11,14-15,19,21-23H,2,6-7,12-13,16-17,28H2,(H,29,31)(H,30,32)(H,33,34)/p+1/t21-,22-,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	2.45E+8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Binding affinity to PEPT1 in human Caco2 cells assessed as inhibition of [14C]Gly-Sar apical uptake after 5 mins by liquid scintillation counting				Bioorg Med Chem Lett 21: 4597-601 (2011) Article DOI: 10.1016/j.bmcl.2011.05.108 BindingDB Entry DOI: 10.7270/Q2VM4DHS
					More data for this Ligand-Target Pair
Solute carrier family 15 member 1 (Homo sapiens (Human))	BDBM50418935 (CHEMBL1807353) Show SMILES CCC[C@H](NC(=O)[C@H](COC(=O)c1ccccc1)CC(=O)[C@@H]([NH3+])Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C25H30N2O6/c1-2-9-21(24(30)31)27-23(29)19(16-33-25(32)18-12-7-4-8-13-18)15-22(28)20(26)14-17-10-5-3-6-11-17/h3-8,10-13,19-21H,2,9,14-16,26H2,1H3,(H,27,29)(H,30,31)/p+1/t19-,20-,21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.51E+8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Binding affinity to PEPT1 in human Caco2 cells assessed as inhibition of [14C]Gly-Sar apical uptake after 5 mins by liquid scintillation counting				Bioorg Med Chem Lett 21: 4597-601 (2011) Article DOI: 10.1016/j.bmcl.2011.05.108 BindingDB Entry DOI: 10.7270/Q2VM4DHS
					More data for this Ligand-Target Pair
Solute carrier family 15 member 1 (Homo sapiens (Human))	BDBM50418931 (CHEMBL1807351) Show SMILES C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C15H21N3O5/c1-9(15(22)23)17-14(21)12(8-19)18-13(20)11(16)7-10-5-3-2-4-6-10/h2-6,9,11-12,19H,7-8,16H2,1H3,(H,17,21)(H,18,20)(H,22,23)/t9-,11-,12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	2.57E+8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Binding affinity to PEPT1 in human Caco2 cells assessed as inhibition of [14C]Gly-Sar apical uptake after 5 mins by liquid scintillation counting				Bioorg Med Chem Lett 21: 4597-601 (2011) Article DOI: 10.1016/j.bmcl.2011.05.108 BindingDB Entry DOI: 10.7270/Q2VM4DHS
					More data for this Ligand-Target Pair
Solute carrier family 15 member 1 (Homo sapiens (Human))	BDBM50418936 (CHEMBL1807352) Show SMILES C[C@H](NC(=O)[C@H](COC(=O)c1ccccc1)CC(=O)[C@@H]([NH3+])Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C23H26N2O6/c1-15(22(28)29)25-21(27)18(14-31-23(30)17-10-6-3-7-11-17)13-20(26)19(24)12-16-8-4-2-5-9-16/h2-11,15,18-19H,12-14,24H2,1H3,(H,25,27)(H,28,29)/p+1/t15-,18-,19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.24E+8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Binding affinity to PEPT1 in human Caco2 cells assessed as inhibition of [14C]Gly-Sar apical uptake after 5 mins by liquid scintillation counting				Bioorg Med Chem Lett 21: 4597-601 (2011) Article DOI: 10.1016/j.bmcl.2011.05.108 BindingDB Entry DOI: 10.7270/Q2VM4DHS
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50010488 (CHEMBL3264361) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](COCc1cn(nn1)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C(N)=O |r| Show InChI InChI=1S/C38H55N11O11/c1-19-11-23(51)12-20(2)24(19)14-25(39)34(56)44-26(9-6-10-43-38(41)42)35(57)45-27(13-21-7-4-3-5-8-21)36(58)46-28(33(40)55)18-59-17-22-15-49(48-47-22)37-32(54)31(53)30(52)29(16-50)60-37/h3-5,7-8,11-12,15,25-32,37,50-54H,6,9-10,13-14,16-18,39H2,1-2H3,(H2,40,55)(H,44,56)(H,45,57)(H,46,58)(H4,41,42,43)/t25-,26+,27-,28-,29+,30-,31-,32+,37+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.350	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Agonist activity at mu opioid receptor in guinea pig ileum				ACS Med Chem Lett 5: 352-357 (2014) Article DOI: 10.1021/ml4004765 BindingDB Entry DOI: 10.7270/Q2VM4DSC
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50010486 (CHEMBL3264359) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cn(nn1)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C(N)=O |r| Show InChI InChI=1S/C37H53N11O10/c1-18-11-22(50)12-19(2)23(18)15-24(38)33(55)43-25(9-6-10-42-37(40)41)34(56)45-27(13-20-7-4-3-5-8-20)35(57)44-26(32(39)54)14-21-16-48(47-46-21)36-31(53)30(52)29(51)28(17-49)58-36/h3-5,7-8,11-12,16,24-31,36,49-53H,6,9-10,13-15,17,38H2,1-2H3,(H2,39,54)(H,43,55)(H,44,57)(H,45,56)(H4,40,41,42)/t24-,25+,26-,27-,28+,29-,30-,31+,36+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.660	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Agonist activity at mu opioid receptor in guinea pig ileum				ACS Med Chem Lett 5: 352-357 (2014) Article DOI: 10.1021/ml4004765 BindingDB Entry DOI: 10.7270/Q2VM4DSC
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50010483 (CHEMBL2181202) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C32H49N9O5/c1-19-15-22(42)16-20(2)23(19)18-24(34)29(44)40-26(12-8-14-38-32(36)37)30(45)41-27(17-21-9-4-3-5-10-21)31(46)39-25(28(35)43)11-6-7-13-33/h3-5,9-10,15-16,24-27,42H,6-8,11-14,17-18,33-34H2,1-2H3,(H2,35,43)(H,39,46)(H,40,44)(H,41,45)(H4,36,37,38)/t24-,25-,26+,27-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Agonist activity at mu opioid receptor in guinea pig ileum				ACS Med Chem Lett 5: 352-357 (2014) Article DOI: 10.1021/ml4004765 BindingDB Entry DOI: 10.7270/Q2VM4DSC
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50010487 (CHEMBL3264360) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cn(nn1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(N)=O |r| Show InChI InChI=1S/C37H53N11O10/c1-18-11-22(50)12-19(2)23(18)15-24(38)33(55)43-25(9-6-10-42-37(40)41)34(56)45-27(13-20-7-4-3-5-8-20)35(57)44-26(32(39)54)14-21-16-48(47-46-21)36-31(53)30(52)29(51)28(17-49)58-36/h3-5,7-8,11-12,16,24-31,36,49-53H,6,9-10,13-15,17,38H2,1-2H3,(H2,39,54)(H,43,55)(H,44,57)(H,45,56)(H4,40,41,42)/t24-,25+,26-,27-,28+,29+,30-,31+,36+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Agonist activity at mu opioid receptor in guinea pig ileum				ACS Med Chem Lett 5: 352-357 (2014) Article DOI: 10.1021/ml4004765 BindingDB Entry DOI: 10.7270/Q2VM4DSC
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50010486 (CHEMBL3264359) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cn(nn1)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C(N)=O |r| Show InChI InChI=1S/C37H53N11O10/c1-18-11-22(50)12-19(2)23(18)15-24(38)33(55)43-25(9-6-10-42-37(40)41)34(56)45-27(13-20-7-4-3-5-8-20)35(57)44-26(32(39)54)14-21-16-48(47-46-21)36-31(53)30(52)29(51)28(17-49)58-36/h3-5,7-8,11-12,16,24-31,36,49-53H,6,9-10,13-15,17,38H2,1-2H3,(H2,39,54)(H,43,55)(H,44,57)(H,45,56)(H4,40,41,42)/t24-,25+,26-,27-,28+,29-,30-,31+,36+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Agonist activity at delta opioid receptor in mouse vas deferens				ACS Med Chem Lett 5: 352-357 (2014) Article DOI: 10.1021/ml4004765 BindingDB Entry DOI: 10.7270/Q2VM4DSC
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50010489 (CHEMBL3264362) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(OCc2cn(nn2)[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1)C(N)=O |r| Show InChI InChI=1S/C44H59N11O11/c1-23-15-28(57)16-24(2)30(23)19-31(45)40(62)50-32(9-6-14-49-44(47)48)41(63)52-34(18-25-7-4-3-5-8-25)42(64)51-33(39(46)61)17-26-10-12-29(13-11-26)65-22-27-20-55(54-53-27)43-38(60)37(59)36(58)35(21-56)66-43/h3-5,7-8,10-13,15-16,20,31-38,43,56-60H,6,9,14,17-19,21-22,45H2,1-2H3,(H2,46,61)(H,50,62)(H,51,64)(H,52,63)(H4,47,48,49)/t31-,32+,33-,34-,35+,36-,37-,38+,43+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Agonist activity at mu opioid receptor in guinea pig ileum				ACS Med Chem Lett 5: 352-357 (2014) Article DOI: 10.1021/ml4004765 BindingDB Entry DOI: 10.7270/Q2VM4DSC
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50010487 (CHEMBL3264360) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cn(nn1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(N)=O |r| Show InChI InChI=1S/C37H53N11O10/c1-18-11-22(50)12-19(2)23(18)15-24(38)33(55)43-25(9-6-10-42-37(40)41)34(56)45-27(13-20-7-4-3-5-8-20)35(57)44-26(32(39)54)14-21-16-48(47-46-21)36-31(53)30(52)29(51)28(17-49)58-36/h3-5,7-8,11-12,16,24-31,36,49-53H,6,9-10,13-15,17,38H2,1-2H3,(H2,39,54)(H,43,55)(H,44,57)(H,45,56)(H4,40,41,42)/t24-,25+,26-,27-,28+,29+,30-,31+,36+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Agonist activity at delta opioid receptor in mouse vas deferens				ACS Med Chem Lett 5: 352-357 (2014) Article DOI: 10.1021/ml4004765 BindingDB Entry DOI: 10.7270/Q2VM4DSC
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50010488 (CHEMBL3264361) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](COCc1cn(nn1)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C(N)=O |r| Show InChI InChI=1S/C38H55N11O11/c1-19-11-23(51)12-20(2)24(19)14-25(39)34(56)44-26(9-6-10-43-38(41)42)35(57)45-27(13-21-7-4-3-5-8-21)36(58)46-28(33(40)55)18-59-17-22-15-49(48-47-22)37-32(54)31(53)30(52)29(16-50)60-37/h3-5,7-8,11-12,15,25-32,37,50-54H,6,9-10,13-14,16-18,39H2,1-2H3,(H2,40,55)(H,44,56)(H,45,57)(H,46,58)(H4,41,42,43)/t25-,26+,27-,28-,29+,30-,31-,32+,37+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Agonist activity at delta opioid receptor in mouse vas deferens				ACS Med Chem Lett 5: 352-357 (2014) Article DOI: 10.1021/ml4004765 BindingDB Entry DOI: 10.7270/Q2VM4DSC
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50010489 (CHEMBL3264362) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(OCc2cn(nn2)[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1)C(N)=O |r| Show InChI InChI=1S/C44H59N11O11/c1-23-15-28(57)16-24(2)30(23)19-31(45)40(62)50-32(9-6-14-49-44(47)48)41(63)52-34(18-25-7-4-3-5-8-25)42(64)51-33(39(46)61)17-26-10-12-29(13-11-26)65-22-27-20-55(54-53-27)43-38(60)37(59)36(58)35(21-56)66-43/h3-5,7-8,10-13,15-16,20,31-38,43,56-60H,6,9,14,17-19,21-22,45H2,1-2H3,(H2,46,61)(H,50,62)(H,51,64)(H,52,63)(H4,47,48,49)/t31-,32+,33-,34-,35+,36-,37-,38+,43+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Agonist activity at delta opioid receptor in mouse vas deferens				ACS Med Chem Lett 5: 352-357 (2014) Article DOI: 10.1021/ml4004765 BindingDB Entry DOI: 10.7270/Q2VM4DSC
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50010483 (CHEMBL2181202) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C32H49N9O5/c1-19-15-22(42)16-20(2)23(19)18-24(34)29(44)40-26(12-8-14-38-32(36)37)30(45)41-27(17-21-9-4-3-5-10-21)31(46)39-25(28(35)43)11-6-7-13-33/h3-5,9-10,15-16,24-27,42H,6-8,11-14,17-18,33-34H2,1-2H3,(H2,35,43)(H,39,46)(H,40,44)(H,41,45)(H4,36,37,38)/t24-,25-,26+,27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Agonist activity at delta opioid receptor in mouse vas deferens				ACS Med Chem Lett 5: 352-357 (2014) Article DOI: 10.1021/ml4004765 BindingDB Entry DOI: 10.7270/Q2VM4DSC
					More data for this Ligand-Target Pair
Solute carrier family 15 member 1 (Homo sapiens (Human))	BDBM50139892 ((S)-2-((S)-2-Amino-3-phenyl-propionylamino)-propio...) Show SMILES C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(O)=O Show InChI InChI=1S/C12H16N2O3/c1-8(12(16)17)14-11(15)10(13)7-9-5-3-2-4-6-9/h2-6,8,10H,7,13H2,1H3,(H,14,15)(H,16,17)/t8-,10-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
University of Tromsø Curated by ChEMBL					Assay Description Concentration required to inhibit the maximum [14C]-Gly-Sar uptake by human Intestinal peptide transporter PepT1 in Caco-2 cells				J Med Chem 47: 1060-9 (2004) Article DOI: 10.1021/jm031022+ BindingDB Entry DOI: 10.7270/Q2DF6QMV
					More data for this Ligand-Target Pair
Solute carrier family 15 member 1 (Homo sapiens (Human))	BDBM50139894 (((S)-2-Amino-3-phenyl-propionylamino)-acetic acid ...) Show SMILES N[C@@H](Cc1ccccc1)C(=O)NCC(O)=O Show InChI InChI=1S/C11H14N2O3/c12-9(11(16)13-7-10(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,13,16)(H,14,15)/t9-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
University of Tromsø Curated by ChEMBL					Assay Description Concentration required to inhibit the maximum [14C]-Gly-Sar uptake by human Intestinal peptide transporter PepT1 in Caco-2 cells				J Med Chem 47: 1060-9 (2004) Article DOI: 10.1021/jm031022+ BindingDB Entry DOI: 10.7270/Q2DF6QMV
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50016867 ((S)-6-Amino-2-((S)-2-{(R)-2-[(S)-2-amino-3-(4-hydr...) Show SMILES NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O Show InChI InChI=1S/C30H45N9O5/c31-15-5-4-9-23(26(33)41)37-29(44)25(18-19-7-2-1-3-8-19)39-28(43)24(10-6-16-36-30(34)35)38-27(42)22(32)17-20-11-13-21(40)14-12-20/h1-3,7-8,11-14,22-25,40H,4-6,9-10,15-18,31-32H2,(H2,33,41)(H,37,44)(H,38,42)(H,39,43)(H4,34,35,36)/t22-,23-,24+,25-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	254	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Agonist activity at mu opioid receptor in guinea pig ileum				ACS Med Chem Lett 5: 352-357 (2014) Article DOI: 10.1021/ml4004765 BindingDB Entry DOI: 10.7270/Q2VM4DSC
					More data for this Ligand-Target Pair
Solute carrier family 15 member 1 (Homo sapiens (Human))	BDBM50139890 ((S)-5-Amino-4-oxo-6-phenyl-hexanoic acid | CHEMBL1...) Show SMILES N[C@@H](Cc1ccccc1)C(=O)CCC(O)=O Show InChI InChI=1S/C12H15NO3/c13-10(11(14)6-7-12(15)16)8-9-4-2-1-3-5-9/h1-5,10H,6-8,13H2,(H,15,16)/t10-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
University of Tromsø Curated by ChEMBL					Assay Description Concentration required to inhibit the maximum [14C]-Gly-Sar uptake by human Intestinal peptide transporter PepT1 in Caco-2 cells				J Med Chem 47: 1060-9 (2004) Article DOI: 10.1021/jm031022+ BindingDB Entry DOI: 10.7270/Q2DF6QMV
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50010484 (CHEMBL3264358) Show SMILES NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1ccc(OCc2cn(nn2)[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1)C(N)=O |r| Show InChI InChI=1S/C39H58N12O10/c40-15-5-4-9-27(34(42)56)46-37(59)29(18-22-7-2-1-3-8-22)48-36(58)28(10-6-16-45-39(43)44)47-35(57)26(41)17-23-11-13-25(14-12-23)60-21-24-19-51(50-49-24)38-33(55)32(54)31(53)30(20-52)61-38/h1-3,7-8,11-14,19,26-33,38,52-55H,4-6,9-10,15-18,20-21,40-41H2,(H2,42,56)(H,46,59)(H,47,57)(H,48,58)(H4,43,44,45)/t26-,27-,28+,29-,30+,31-,32-,33+,38+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.18E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Agonist activity at mu opioid receptor in guinea pig ileum				ACS Med Chem Lett 5: 352-357 (2014) Article DOI: 10.1021/ml4004765 BindingDB Entry DOI: 10.7270/Q2VM4DSC
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50010484 (CHEMBL3264358) Show SMILES NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1ccc(OCc2cn(nn2)[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1)C(N)=O |r| Show InChI InChI=1S/C39H58N12O10/c40-15-5-4-9-27(34(42)56)46-37(59)29(18-22-7-2-1-3-8-22)48-36(58)28(10-6-16-45-39(43)44)47-35(57)26(41)17-23-11-13-25(14-12-23)60-21-24-19-51(50-49-24)38-33(55)32(54)31(53)30(20-52)61-38/h1-3,7-8,11-14,19,26-33,38,52-55H,4-6,9-10,15-18,20-21,40-41H2,(H2,42,56)(H,46,59)(H,47,57)(H,48,58)(H4,43,44,45)/t26-,27-,28+,29-,30+,31-,32-,33+,38+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.99E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Agonist activity at delta opioid receptor in mouse vas deferens				ACS Med Chem Lett 5: 352-357 (2014) Article DOI: 10.1021/ml4004765 BindingDB Entry DOI: 10.7270/Q2VM4DSC
					More data for this Ligand-Target Pair
Solute carrier family 15 member 1 (Homo sapiens (Human))	BDBM50152064 (2-(3-Amino-4-methyl-2-oxo-pentyl)-succinic acid 4-...) Show SMILES CC(C)[C@H](N)C(=O)C[C@@H](CC(=O)OCc1ccccc1)C(O)=O Show InChI InChI=1S/C17H23NO5/c1-11(2)16(18)14(19)8-13(17(21)22)9-15(20)23-10-12-6-4-3-5-7-12/h3-7,11,13,16H,8-10,18H2,1-2H3,(H,21,22)/t13-,16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Tromsø Curated by ChEMBL					Assay Description Inhibition of [14C]-Gly-Sar transport by hPEPT1 in Caco-2 cell monolayers				J Med Chem 47: 4755-65 (2004) Article DOI: 10.1021/jm040780c BindingDB Entry DOI: 10.7270/Q2WM1CWG
					More data for this Ligand-Target Pair
Solute carrier family 15 member 1 (Homo sapiens (Human))	BDBM50139893 ((E)-(S)-5-Amino-4-(S)-hydroxy-6-phenyl-hex-2-enoic...) Show SMILES N[C@@H](Cc1ccccc1)[C@@H](O)\C=C\C(O)=O Show InChI InChI=1S/C12H15NO3/c13-10(11(14)6-7-12(15)16)8-9-4-2-1-3-5-9/h1-7,10-11,14H,8,13H2,(H,15,16)/b7-6+/t10-,11-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.05E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Tromsø Curated by ChEMBL					Assay Description Concentration required to inhibit the maximum [14C]-Gly-Sar uptake by human Intestinal peptide transporter PepT1 in Caco-2 cells				J Med Chem 47: 1060-9 (2004) Article DOI: 10.1021/jm031022+ BindingDB Entry DOI: 10.7270/Q2DF6QMV
					More data for this Ligand-Target Pair
Solute carrier family 15 member 1 (Homo sapiens (Human))	BDBM50152062 (2-(3-Amino-2-oxo-4-phenyl-butyl)-succinic acid 4-b...) Show SMILES N[C@@H](Cc1ccccc1)C(=O)C[C@@H](CC(=O)OCc1ccccc1)C(O)=O Show InChI InChI=1S/C21H23NO5/c22-18(11-15-7-3-1-4-8-15)19(23)12-17(21(25)26)13-20(24)27-14-16-9-5-2-6-10-16/h1-10,17-18H,11-14,22H2,(H,25,26)/t17-,18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Tromsø Curated by ChEMBL					Assay Description Inhibition of [14C]-Gly-Sar transport by hPEPT1 in Caco-2 cell monolayers				J Med Chem 47: 4755-65 (2004) Article DOI: 10.1021/jm040780c BindingDB Entry DOI: 10.7270/Q2WM1CWG
					More data for this Ligand-Target Pair
Solute carrier family 15 member 1 (Homo sapiens (Human))	BDBM50152063 (5-Amino-6-methyl-4-oxo-heptanoic acid benzyl ester...) Show SMILES CC(C)[C@H](N)C(=O)CCC(=O)OCc1ccccc1 Show InChI InChI=1S/C15H21NO3/c1-11(2)15(16)13(17)8-9-14(18)19-10-12-6-4-3-5-7-12/h3-7,11,15H,8-10,16H2,1-2H3/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.34E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Tromsø Curated by ChEMBL					Assay Description Inhibition of [14C]-Gly-Sar transport by hPEPT1 in Caco-2 cell monolayers				J Med Chem 47: 4755-65 (2004) Article DOI: 10.1021/jm040780c BindingDB Entry DOI: 10.7270/Q2WM1CWG
					More data for this Ligand-Target Pair

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