Compile Data Set for Download or QSAR

Found 77 hits with Last Name = 'schembri' and Initial = 'ls'   

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 (Homo sapiens (Human))	BDBM50001714 (2-[3-cyclopropylmethyl-11-hydroxy-15-methoxy-(1S,2...) Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1C(C)(C)O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |THB:8:7:22.21:4.3| Show InChI InChI=1S/C26H35NO4/c1-23(2,29)18-13-24-8-9-26(18,30-3)22-25(24)10-11-27(14-15-4-5-15)19(24)12-16-6-7-17(28)21(31-22)20(16)25/h6-7,15,18-19,22,28-29H,4-5,8-14H2,1-3H3/t18-,19-,22-,24-,25+,26-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	0.123	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Displacement of 2-((1E,3E,5E)-5-(1-Ethyl-3,3-dimethyl-5-sulfoindolin-2-ylidene)-penta-1,3-dien-1-yl)-1-(6-((6-((6S,7R,7aR,12bS)-9-hydroxy-7-methoxy-3...				J Med Chem 58: 9754-67 (2015) Article DOI: 10.1021/acs.jmedchem.5b01664 BindingDB Entry DOI: 10.7270/Q25M67K5
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50001714 (2-[3-cyclopropylmethyl-11-hydroxy-15-methoxy-(1S,2...) Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1C(C)(C)O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |THB:8:7:22.21:4.3| Show InChI InChI=1S/C26H35NO4/c1-23(2,29)18-13-24-8-9-26(18,30-3)22-25(24)10-11-27(14-15-4-5-15)19(24)12-16-6-7-17(28)21(31-22)20(16)25/h6-7,15,18-19,22,28-29H,4-5,8-14H2,1-3H3/t18-,19-,22-,24-,25+,26-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human MOR expressed in HEK293 cells preincubated for 1 hr followed by radioligand addition measured after 1 hr by liqu...				J Med Chem 58: 9754-67 (2015) Article DOI: 10.1021/acs.jmedchem.5b01664 BindingDB Entry DOI: 10.7270/Q25M67K5
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM60212 ((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars	DrugBank Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human MOR expressed in HEK293 cells preincubated for 1 hr followed by radioligand addition measured after 1 hr by liqu...				J Med Chem 58: 9754-67 (2015) Article DOI: 10.1021/acs.jmedchem.5b01664 BindingDB Entry DOI: 10.7270/Q25M67K5
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM60212 ((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars	DrugBank Article PubMed	0.275	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Displacement of 2-((1E,3E,5E)-5-(1-Ethyl-3,3-dimethyl-5-sulfoindolin-2-ylidene)-penta-1,3-dien-1-yl)-1-(6-((6-((6S,7R,7aR,12bS)-9-hydroxy-7-methoxy-3...				J Med Chem 58: 9754-67 (2015) Article DOI: 10.1021/acs.jmedchem.5b01664 BindingDB Entry DOI: 10.7270/Q25M67K5
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Displacement of 2-((1E,3E,5E)-5-(1-Ethyl-3,3-dimethyl-5-sulfoindolin-2-ylidene)-penta-1,3-dien-1-yl)-1-(6-((6-((6S,7R,7aR,12bS)-9-hydroxy-7-methoxy-3...				J Med Chem 58: 9754-67 (2015) Article DOI: 10.1021/acs.jmedchem.5b01664 BindingDB Entry DOI: 10.7270/Q25M67K5
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human MOR expressed in HEK293 cells preincubated for 1 hr followed by radioligand addition measured after 1 hr by liqu...				J Med Chem 58: 9754-67 (2015) Article DOI: 10.1021/acs.jmedchem.5b01664 BindingDB Entry DOI: 10.7270/Q25M67K5
					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	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human MOR expressed in HEK293 cells preincubated for 1 hr followed by radioligand addition measured after 1 hr by liqu...				J Med Chem 58: 9754-67 (2015) Article DOI: 10.1021/acs.jmedchem.5b01664 BindingDB Entry DOI: 10.7270/Q25M67K5
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50135225 (Naloxonazine) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC=C)CC[C@@]14[C@@]5(O)CC\C2=N/N=C1\CC[C@@]2(O)[C@@]4([H])Cc5ccc(O)c6O[C@]1([H])[C@]2(CCN4CC=C)c56)ccc3O |r,TLB:44:43:26:47.31.30,THB:10:9:16:4.5.6| Show InChI InChI=1S/C38H42N4O6/c1-3-15-41-17-13-35-29-21-5-7-25(43)31(29)47-33(35)23(9-11-37(35,45)27(41)19-21)39-40-24-10-12-38(46)28-20-22-6-8-26(44)32-30(22)36(38,34(24)48-32)14-18-42(28)16-4-2/h3-8,27-28,33-34,43-46H,1-2,9-20H2/b39-23+,40-24+/t27-,28-,33+,34+,35+,36+,37-,38-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Displacement of 2-((1E,3E,5E)-5-(1-Ethyl-3,3-dimethyl-5-sulfoindolin-2-ylidene)-penta-1,3-dien-1-yl)-1-(6-((6-((6S,7R,7aR,12bS)-9-hydroxy-7-methoxy-3...				J Med Chem 58: 9754-67 (2015) Article DOI: 10.1021/acs.jmedchem.5b01664 BindingDB Entry DOI: 10.7270/Q25M67K5
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50059841 ((S)-1-[(S)-2-[2-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hy...) Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O |r| Show InChI InChI=1S/C40H50N8O10/c1-23(44-37(55)29(41)18-25-9-13-27(50)14-10-25)36(54)46-30(19-24-6-3-2-4-7-24)38(56)43-21-34(52)45-31(20-26-11-15-28(51)16-12-26)40(58)48-17-5-8-33(48)39(57)47-32(22-49)35(42)53/h2-4,6-7,9-16,23,29-33,49-51H,5,8,17-22,41H2,1H3,(H2,42,53)(H,43,56)(H,44,55)(H,45,52)(H,46,54)(H,47,57)/t23-,29+,30+,31+,32+,33+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human MOR expressed in HEK293 cells preincubated for 1 hr followed by radioligand addition measured after 1 hr by liqu...				J Med Chem 58: 9754-67 (2015) Article DOI: 10.1021/acs.jmedchem.5b01664 BindingDB Entry DOI: 10.7270/Q25M67K5
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50026603 (Buprenorphine | CHEBI:3216) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@]([H])(C1)[C@](C)(O)C(C)(C)C)ccc3O |r,TLB:25:17:4.5.6:9.15.14,18:17:4.5.6:9.15.14,THB:10:9:17:4.5.6,3:4:17:9.15.14,26:23:16.1:18.19| Show InChI InChI=1S/C29H41NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3/t20-,21-,24-,26+,27-,28+,29-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human MOR expressed in CHO-FlpIn cell membranes after 1 hr by liquid scintillation counting analysis				J Med Chem 58: 9754-67 (2015) Article DOI: 10.1021/acs.jmedchem.5b01664 BindingDB Entry DOI: 10.7270/Q25M67K5
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50135222 (CHEMBL3746697) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@H](C1)C(=O)NCCCCCCNC(=O)OC(C)(C)C)ccc3O |r,THB:10:9:14:6.4.5| Show InChI InChI=1S/C32H47N3O6/c1-29(2,3)41-28(38)34-16-9-7-6-8-15-33-26(37)21-19-30-12-13-32(21,39-5)27-31(30)14-17-35(4)23(30)18-20-10-11-22(36)25(40-27)24(20)31/h10-11,21,23,27,36H,6-9,12-19H2,1-5H3,(H,33,37)(H,34,38)/t21-,23-,27-,30-,31+,32-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human MOR expressed in CHO-FlpIn cell membranes after 1 hr by liquid scintillation counting analysis				J Med Chem 58: 9754-67 (2015) Article DOI: 10.1021/acs.jmedchem.5b01664 BindingDB Entry DOI: 10.7270/Q25M67K5
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50135225 (Naloxonazine) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC=C)CC[C@@]14[C@@]5(O)CC\C2=N/N=C1\CC[C@@]2(O)[C@@]4([H])Cc5ccc(O)c6O[C@]1([H])[C@]2(CCN4CC=C)c56)ccc3O |r,TLB:44:43:26:47.31.30,THB:10:9:16:4.5.6| Show InChI InChI=1S/C38H42N4O6/c1-3-15-41-17-13-35-29-21-5-7-25(43)31(29)47-33(35)23(9-11-37(35,45)27(41)19-21)39-40-24-10-12-38(46)28-20-22-6-8-26(44)32-30(22)36(38,34(24)48-32)14-18-42(28)16-4-2/h3-8,27-28,33-34,43-46H,1-2,9-20H2/b39-23+,40-24+/t27-,28-,33+,34+,35+,36+,37-,38-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human MOR expressed in HEK293 cells preincubated for 1 hr followed by radioligand addition measured after 1 hr by liqu...				J Med Chem 58: 9754-67 (2015) Article DOI: 10.1021/acs.jmedchem.5b01664 BindingDB Entry DOI: 10.7270/Q25M67K5
					More data for this Ligand-Target Pair
Aminopeptidase N (Homo sapiens (Human))	BDBM50528308 (CHEMBL4460082) Show SMILES CS(=O)(=O)Nc1ccc(cc1)C(=O)NC(C(=O)NO)c1ccc(cc1)-c1cc(F)c(F)c(F)c1 Show InChI InChI=1S/C22H18F3N3O5S/c1-34(32,33)28-16-8-6-14(7-9-16)21(29)26-20(22(30)27-31)13-4-2-12(3-5-13)15-10-17(23)19(25)18(24)11-15/h2-11,20,28,31H,1H3,(H,26,29)(H,27,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of soluble human APN ectodomain stably expressed in HEK293 GnTI(-) cells using H-Leu-NHMec as substrate preincubated for 10 mins followed ...				J Med Chem 62: 7185-7209 (2019) Article DOI: 10.1021/acs.jmedchem.9b00757 BindingDB Entry DOI: 10.7270/Q2KK9G8J
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50135224 (CHEMBL3747778) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@]51C[C@H](C(=O)NCCCCCCNC(=O)OC(C)(C)C)[C@]2(OC)C=C1)ccc3O |r,wU:1.0,13.12,wD:34.38,16.19,14.42,7.7,c:41,THB:10:9:14:6.4.5,(-3.13,.26,;-2.17,.57,;-3.33,2.18,;-2.17,3.75,;-.8,2.95,;.55,3.75,;1.91,2.95,;1.91,1.38,;1.04,1.89,;3.29,.57,;4.08,-.36,;2.69,2.13,;.51,2.15,;-.8,1.38,;.55,.57,;.55,-.97,;-.8,-1.76,;-.79,-3.28,;.26,-3.89,;-2.11,-4.05,;-2.1,-5.57,;-3.41,-6.34,;-3.41,-7.86,;-4.72,-8.62,;-4.71,-10.14,;-6.03,-10.91,;-6.02,-12.43,;-7.33,-13.2,;-8.39,-12.6,;-7.33,-14.72,;-8.64,-15.49,;-8.64,-16.7,;-9.7,-14.88,;-9.69,-16.1,;-2.17,-.97,;-1.43,.37,;-2.07,1.4,;-.87,-.71,;-.87,.27,;.55,5.33,;-.8,6.12,;-2.17,5.33,;-3.22,5.94,)| Show InChI InChI=1S/C32H45N3O6/c1-29(2,3)41-28(38)34-16-9-7-6-8-15-33-26(37)21-19-30-12-13-32(21,39-5)27-31(30)14-17-35(4)23(30)18-20-10-11-22(36)25(40-27)24(20)31/h10-13,21,23,27,36H,6-9,14-19H2,1-5H3,(H,33,37)(H,34,38)/t21-,23-,27-,30-,31+,32-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human MOR expressed in CHO-FlpIn cell membranes after 1 hr by liquid scintillation counting analysis				J Med Chem 58: 9754-67 (2015) Article DOI: 10.1021/acs.jmedchem.5b01664 BindingDB Entry DOI: 10.7270/Q25M67K5
					More data for this Ligand-Target Pair
Aminopeptidase N (Homo sapiens (Human))	BDBM50528311 (CHEMBL4448936) Show SMILES NS(=O)(=O)Nc1ccc(cc1)C(=O)NC(C(=O)NO)c1ccc(cc1)-c1cc(F)c(F)c(F)c1 Show InChI InChI=1S/C21H17F3N4O5S/c22-16-9-14(10-17(23)18(16)24)11-1-3-12(4-2-11)19(21(30)27-31)26-20(29)13-5-7-15(8-6-13)28-34(25,32)33/h1-10,19,28,31H,(H,26,29)(H,27,30)(H2,25,32,33)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of soluble human APN ectodomain stably expressed in HEK293 GnTI(-) cells using H-Leu-NHMec as substrate preincubated for 10 mins followed ...				J Med Chem 62: 7185-7209 (2019) Article DOI: 10.1021/acs.jmedchem.9b00757 BindingDB Entry DOI: 10.7270/Q2KK9G8J
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50059841 ((S)-1-[(S)-2-[2-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hy...) Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O |r| Show InChI InChI=1S/C40H50N8O10/c1-23(44-37(55)29(41)18-25-9-13-27(50)14-10-25)36(54)46-30(19-24-6-3-2-4-7-24)38(56)43-21-34(52)45-31(20-26-11-15-28(51)16-12-26)40(58)48-17-5-8-33(48)39(57)47-32(22-49)35(42)53/h2-4,6-7,9-16,23,29-33,49-51H,5,8,17-22,41H2,1H3,(H2,42,53)(H,43,56)(H,44,55)(H,45,52)(H,46,54)(H,47,57)/t23-,29+,30+,31+,32+,33+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Displacement of 2-((1E,3E,5E)-5-(1-Ethyl-3,3-dimethyl-5-sulfoindolin-2-ylidene)-penta-1,3-dien-1-yl)-1-(6-((6-((6S,7R,7aR,12bS)-9-hydroxy-7-methoxy-3...				J Med Chem 58: 9754-67 (2015) Article DOI: 10.1021/acs.jmedchem.5b01664 BindingDB Entry DOI: 10.7270/Q25M67K5
					More data for this Ligand-Target Pair
Aminopeptidase N (Homo sapiens (Human))	BDBM50528345 (CHEMBL4445188) Show SMILES ONC(=O)C(NC(=O)c1ccc2[nH]ncc2c1)c1ccc(cc1)-c1cc(F)c(F)c(F)c1 Show InChI InChI=1S/C22H15F3N4O3/c23-16-8-14(9-17(24)19(16)25)11-1-3-12(4-2-11)20(22(31)29-32)27-21(30)13-5-6-18-15(7-13)10-26-28-18/h1-10,20,32H,(H,26,28)(H,27,30)(H,29,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of soluble human APN ectodomain stably expressed in HEK293 GnTI(-) cells using H-Leu-NHMec as substrate preincubated for 10 mins followed ...				J Med Chem 62: 7185-7209 (2019) Article DOI: 10.1021/acs.jmedchem.9b00757 BindingDB Entry DOI: 10.7270/Q2KK9G8J
					More data for this Ligand-Target Pair
Aminopeptidase N (Homo sapiens (Human))	BDBM50528319 (CHEMBL4566015) Show SMILES ONC(=O)C(NC(=O)c1ccc2[nH]nnc2c1)c1ccc(cc1)-c1cc(F)c(F)c(F)c1 Show InChI InChI=1S/C21H14F3N5O3/c22-14-7-13(8-15(23)18(14)24)10-1-3-11(4-2-10)19(21(31)28-32)25-20(30)12-5-6-16-17(9-12)27-29-26-16/h1-9,19,32H,(H,25,30)(H,28,31)(H,26,27,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of soluble human APN ectodomain stably expressed in HEK293 GnTI(-) cells using H-Leu-NHMec as substrate preincubated for 10 mins followed ...				J Med Chem 62: 7185-7209 (2019) Article DOI: 10.1021/acs.jmedchem.9b00757 BindingDB Entry DOI: 10.7270/Q2KK9G8J
					More data for this Ligand-Target Pair
Aminopeptidase N (Homo sapiens (Human))	BDBM50528321 (CHEMBL4522953) Show SMILES ONC(=O)C(NC(=O)c1ccc(O)c(F)c1)c1ccc(cc1)-c1cc(F)c(F)c(F)c1 Show InChI InChI=1S/C21H14F4N2O4/c22-14-7-12(5-6-17(14)28)20(29)26-19(21(30)27-31)11-3-1-10(2-4-11)13-8-15(23)18(25)16(24)9-13/h1-9,19,28,31H,(H,26,29)(H,27,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of soluble human APN ectodomain stably expressed in HEK293 GnTI(-) cells using H-Leu-NHMec as substrate preincubated for 10 mins followed ...				J Med Chem 62: 7185-7209 (2019) Article DOI: 10.1021/acs.jmedchem.9b00757 BindingDB Entry DOI: 10.7270/Q2KK9G8J
					More data for this Ligand-Target Pair
Aminopeptidase N (Homo sapiens (Human))	BDBM50528338 (CHEMBL4590563) Show SMILES N\C(=N/O)c1cccc(c1)C(=O)NC(C(=O)NO)c1ccc(cc1)-c1cc(F)c(F)c(F)c1 Show InChI InChI=1S/C22H17F3N4O4/c23-16-9-15(10-17(24)18(16)25)11-4-6-12(7-5-11)19(22(31)29-33)27-21(30)14-3-1-2-13(8-14)20(26)28-32/h1-10,19,32-33H,(H2,26,28)(H,27,30)(H,29,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of soluble human APN ectodomain stably expressed in HEK293 GnTI(-) cells using H-Leu-NHMec as substrate preincubated for 10 mins followed ...				J Med Chem 62: 7185-7209 (2019) Article DOI: 10.1021/acs.jmedchem.9b00757 BindingDB Entry DOI: 10.7270/Q2KK9G8J
					More data for this Ligand-Target Pair
Aminopeptidase N (Homo sapiens (Human))	BDBM50528320 (CHEMBL4578880) Show SMILES ONC(=O)C(NC(=O)c1ccc(F)c(O)c1)c1ccc(cc1)-c1cc(F)c(F)c(F)c1 Show InChI InChI=1S/C21H14F4N2O4/c22-14-6-5-12(9-17(14)28)20(29)26-19(21(30)27-31)11-3-1-10(2-4-11)13-7-15(23)18(25)16(24)8-13/h1-9,19,28,31H,(H,26,29)(H,27,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of soluble human APN ectodomain stably expressed in HEK293 GnTI(-) cells using H-Leu-NHMec as substrate preincubated for 10 mins followed ...				J Med Chem 62: 7185-7209 (2019) Article DOI: 10.1021/acs.jmedchem.9b00757 BindingDB Entry DOI: 10.7270/Q2KK9G8J
					More data for this Ligand-Target Pair
Aminopeptidase N (Homo sapiens (Human))	BDBM50528313 (CHEMBL4544937) Show SMILES ONC(=O)C(NC(=O)Cc1ccc(O)c(F)c1)c1ccc(cc1)-c1cc(F)c(F)c(F)c1 Show InChI InChI=1S/C22H16F4N2O4/c23-15-7-11(1-6-18(15)29)8-19(30)27-21(22(31)28-32)13-4-2-12(3-5-13)14-9-16(24)20(26)17(25)10-14/h1-7,9-10,21,29,32H,8H2,(H,27,30)(H,28,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of soluble human APN ectodomain stably expressed in HEK293 GnTI(-) cells using H-Leu-NHMec as substrate preincubated for 10 mins followed ...				J Med Chem 62: 7185-7209 (2019) Article DOI: 10.1021/acs.jmedchem.9b00757 BindingDB Entry DOI: 10.7270/Q2KK9G8J
					More data for this Ligand-Target Pair
Aminopeptidase N (Homo sapiens (Human))	BDBM50528328 (CHEMBL4589359) Show SMILES N\C(=N/O)c1ccc(cc1)C(=O)NC(C(=O)NO)c1ccc(cc1)-c1cc(F)c(F)c(F)c1 Show InChI InChI=1S/C22H17F3N4O4/c23-16-9-15(10-17(24)18(16)25)11-1-3-12(4-2-11)19(22(31)29-33)27-21(30)14-7-5-13(6-8-14)20(26)28-32/h1-10,19,32-33H,(H2,26,28)(H,27,30)(H,29,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of soluble human APN ectodomain stably expressed in HEK293 GnTI(-) cells using H-Leu-NHMec as substrate preincubated for 10 mins followed ...				J Med Chem 62: 7185-7209 (2019) Article DOI: 10.1021/acs.jmedchem.9b00757 BindingDB Entry DOI: 10.7270/Q2KK9G8J
					More data for this Ligand-Target Pair
Aminopeptidase N (Homo sapiens (Human))	BDBM50528310 (CHEMBL4455419) Show SMILES NC(=O)c1cccc(c1)C(=O)NC(C(=O)NO)c1ccc(cc1)-c1cc(F)c(F)c(F)c1 Show InChI InChI=1S/C22H16F3N3O4/c23-16-9-15(10-17(24)18(16)25)11-4-6-12(7-5-11)19(22(31)28-32)27-21(30)14-3-1-2-13(8-14)20(26)29/h1-10,19,32H,(H2,26,29)(H,27,30)(H,28,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	71	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of soluble human APN ectodomain stably expressed in HEK293 GnTI(-) cells using H-Leu-NHMec as substrate preincubated for 10 mins followed ...				J Med Chem 62: 7185-7209 (2019) Article DOI: 10.1021/acs.jmedchem.9b00757 BindingDB Entry DOI: 10.7270/Q2KK9G8J
					More data for this Ligand-Target Pair
Aminopeptidase N (Homo sapiens (Human))	BDBM50528327 (CHEMBL4586845) Show SMILES NC(=O)c1ccc(cc1)C(=O)NC(C(=O)NO)c1ccc(cc1)-c1cc(F)c(F)c(F)c1 Show InChI InChI=1S/C22H16F3N3O4/c23-16-9-15(10-17(24)18(16)25)11-1-3-12(4-2-11)19(22(31)28-32)27-21(30)14-7-5-13(6-8-14)20(26)29/h1-10,19,32H,(H2,26,29)(H,27,30)(H,28,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	82	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of soluble human APN ectodomain stably expressed in HEK293 GnTI(-) cells using H-Leu-NHMec as substrate preincubated for 10 mins followed ...				J Med Chem 62: 7185-7209 (2019) Article DOI: 10.1021/acs.jmedchem.9b00757 BindingDB Entry DOI: 10.7270/Q2KK9G8J
					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	87	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Displacement of 2-((1E,3E,5E)-5-(1-Ethyl-3,3-dimethyl-5-sulfoindolin-2-ylidene)-penta-1,3-dien-1-yl)-1-(6-((6-((6S,7R,7aR,12bS)-9-hydroxy-7-methoxy-3...				J Med Chem 58: 9754-67 (2015) Article DOI: 10.1021/acs.jmedchem.5b01664 BindingDB Entry DOI: 10.7270/Q25M67K5
					More data for this Ligand-Target Pair
Aminopeptidase N (Homo sapiens (Human))	BDBM50528349 (CHEMBL4441367) Show SMILES ONC(=O)C(NC(=O)c1ccc(O)cc1)c1ccc(cc1)-c1cc(F)c(F)c(F)c1 Show InChI InChI=1S/C21H15F3N2O4/c22-16-9-14(10-17(23)18(16)24)11-1-3-12(4-2-11)19(21(29)26-30)25-20(28)13-5-7-15(27)8-6-13/h1-10,19,27,30H,(H,25,28)(H,26,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	102	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of soluble human APN ectodomain stably expressed in HEK293 GnTI(-) cells using H-Leu-NHMec as substrate preincubated for 10 mins followed ...				J Med Chem 62: 7185-7209 (2019) Article DOI: 10.1021/acs.jmedchem.9b00757 BindingDB Entry DOI: 10.7270/Q2KK9G8J
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50135221 (CHEMBL3746149) Show SMILES Cl.Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@H](C1)C(=O)NCCCCCCN)ccc3O |r,THB:12:11:16:8.6.7| Show InChI InChI=1S/C27H39N3O4.2ClH/c1-30-14-11-26-21-17-7-8-19(31)22(21)34-24(26)27(33-2)10-9-25(26,20(30)15-17)16-18(27)23(32)29-13-6-4-3-5-12-28;;/h7-8,18,20,24,31H,3-6,9-16,28H2,1-2H3,(H,29,32);2*1H/t18-,20-,24-,25-,26+,27-;;/m1../s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	107	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human MOR expressed in CHO-FlpIn cell membranes after 1 hr by liquid scintillation counting analysis				J Med Chem 58: 9754-67 (2015) Article DOI: 10.1021/acs.jmedchem.5b01664 BindingDB Entry DOI: 10.7270/Q25M67K5
					More data for this Ligand-Target Pair
Aminopeptidase N (Homo sapiens (Human))	BDBM50528337 (CHEMBL4446709) Show SMILES ONC(=O)C(NC(=O)c1ccc2[nH]ccc2c1)c1ccc(cc1)-c1cc(F)c(F)c(F)c1 Show InChI InChI=1S/C23H16F3N3O3/c24-17-10-16(11-18(25)20(17)26)12-1-3-13(4-2-12)21(23(31)29-32)28-22(30)15-5-6-19-14(9-15)7-8-27-19/h1-11,21,27,32H,(H,28,30)(H,29,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	111	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of soluble human APN ectodomain stably expressed in HEK293 GnTI(-) cells using H-Leu-NHMec as substrate preincubated for 10 mins followed ...				J Med Chem 62: 7185-7209 (2019) Article DOI: 10.1021/acs.jmedchem.9b00757 BindingDB Entry DOI: 10.7270/Q2KK9G8J
					More data for this Ligand-Target Pair
Aminopeptidase N (Homo sapiens (Human))	BDBM50528335 (CHEMBL3765455) Show SMILES CC(C)(C)C(=O)NC(C(=O)NO)c1ccc(cc1)-c1cc(F)c(F)c(F)c1 Show InChI InChI=1S/C19H19F3N2O3/c1-19(2,3)18(26)23-16(17(25)24-27)11-6-4-10(5-7-11)12-8-13(20)15(22)14(21)9-12/h4-9,16,27H,1-3H3,(H,23,26)(H,24,25)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	118	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of soluble human APN ectodomain stably expressed in HEK293 GnTI(-) cells using H-Leu-NHMec as substrate preincubated for 10 mins followed ...				J Med Chem 62: 7185-7209 (2019) Article DOI: 10.1021/acs.jmedchem.9b00757 BindingDB Entry DOI: 10.7270/Q2KK9G8J
					More data for this Ligand-Target Pair
Aminopeptidase N (Homo sapiens (Human))	BDBM50528314 (CHEMBL4572202) Show SMILES COc1ccc(CC(=O)NC(C(=O)NO)c2ccc(cc2)-c2cc(F)c(F)c(F)c2)cc1OC Show InChI InChI=1S/C24H21F3N2O5/c1-33-19-8-3-13(9-20(19)34-2)10-21(30)28-23(24(31)29-32)15-6-4-14(5-7-15)16-11-17(25)22(27)18(26)12-16/h3-9,11-12,23,32H,10H2,1-2H3,(H,28,30)(H,29,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	119	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of soluble human APN ectodomain stably expressed in HEK293 GnTI(-) cells using H-Leu-NHMec as substrate preincubated for 10 mins followed ...				J Med Chem 62: 7185-7209 (2019) Article DOI: 10.1021/acs.jmedchem.9b00757 BindingDB Entry DOI: 10.7270/Q2KK9G8J
					More data for this Ligand-Target Pair
Aminopeptidase N (Homo sapiens (Human))	BDBM50528342 (CHEMBL4435512) Show SMILES Nc1cccc(c1)C(=O)NC(C(=O)NO)c1ccc(cc1)-c1cc(F)c(F)c(F)c1 Show InChI InChI=1S/C21H16F3N3O3/c22-16-9-14(10-17(23)18(16)24)11-4-6-12(7-5-11)19(21(29)27-30)26-20(28)13-2-1-3-15(25)8-13/h1-10,19,30H,25H2,(H,26,28)(H,27,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	131	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of soluble human APN ectodomain stably expressed in HEK293 GnTI(-) cells using H-Leu-NHMec as substrate preincubated for 10 mins followed ...				J Med Chem 62: 7185-7209 (2019) Article DOI: 10.1021/acs.jmedchem.9b00757 BindingDB Entry DOI: 10.7270/Q2KK9G8J
					More data for this Ligand-Target Pair
Aminopeptidase N (Homo sapiens (Human))	BDBM50528343 (CHEMBL4554326) Show SMILES ONC(=O)C(NC(=O)Cc1ccc(O)c(O)c1)c1ccc(cc1)-c1cc(F)c(F)c(F)c1 Show InChI InChI=1S/C22H17F3N2O5/c23-15-9-14(10-16(24)20(15)25)12-2-4-13(5-3-12)21(22(31)27-32)26-19(30)8-11-1-6-17(28)18(29)7-11/h1-7,9-10,21,28-29,32H,8H2,(H,26,30)(H,27,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	137	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of soluble human APN ectodomain stably expressed in HEK293 GnTI(-) cells using H-Leu-NHMec as substrate preincubated for 10 mins followed ...				J Med Chem 62: 7185-7209 (2019) Article DOI: 10.1021/acs.jmedchem.9b00757 BindingDB Entry DOI: 10.7270/Q2KK9G8J
					More data for this Ligand-Target Pair
Aminopeptidase N (Homo sapiens (Human))	BDBM50528309 (CHEMBL4588933) Show SMILES ONC(=O)C(NC(=O)Cc1ccc(F)c(O)c1)c1ccc(cc1)-c1cc(F)c(F)c(F)c1 Show InChI InChI=1S/C22H16F4N2O4/c23-15-6-1-11(7-18(15)29)8-19(30)27-21(22(31)28-32)13-4-2-12(3-5-13)14-9-16(24)20(26)17(25)10-14/h1-7,9-10,21,29,32H,8H2,(H,27,30)(H,28,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	138	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of soluble human APN ectodomain stably expressed in HEK293 GnTI(-) cells using H-Leu-NHMec as substrate preincubated for 10 mins followed ...				J Med Chem 62: 7185-7209 (2019) Article DOI: 10.1021/acs.jmedchem.9b00757 BindingDB Entry DOI: 10.7270/Q2KK9G8J
					More data for this Ligand-Target Pair
Aminopeptidase N (Homo sapiens (Human))	BDBM50528307 (CHEMBL4593147) Show SMILES ONC(=O)C(NC(=O)c1ccc2NC(=O)Cc2c1)c1ccc(cc1)-c1cc(F)c(F)c(F)c1 Show InChI InChI=1S/C23H16F3N3O4/c24-16-8-14(9-17(25)20(16)26)11-1-3-12(4-2-11)21(23(32)29-33)28-22(31)13-5-6-18-15(7-13)10-19(30)27-18/h1-9,21,33H,10H2,(H,27,30)(H,28,31)(H,29,32)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	156	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of soluble human APN ectodomain stably expressed in HEK293 GnTI(-) cells using H-Leu-NHMec as substrate preincubated for 10 mins followed ...				J Med Chem 62: 7185-7209 (2019) Article DOI: 10.1021/acs.jmedchem.9b00757 BindingDB Entry DOI: 10.7270/Q2KK9G8J
					More data for this Ligand-Target Pair
Aminopeptidase N (Homo sapiens (Human))	BDBM50528344 (CHEMBL4537181) Show SMILES ONC(=O)C(NC(=O)Cc1ccc(F)cc1)c1ccc(cc1)-c1cc(F)c(F)c(F)c1 Show InChI InChI=1S/C22H16F4N2O3/c23-16-7-1-12(2-8-16)9-19(29)27-21(22(30)28-31)14-5-3-13(4-6-14)15-10-17(24)20(26)18(25)11-15/h1-8,10-11,21,31H,9H2,(H,27,29)(H,28,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of soluble human APN ectodomain stably expressed in HEK293 GnTI(-) cells using H-Leu-NHMec as substrate preincubated for 10 mins followed ...				J Med Chem 62: 7185-7209 (2019) Article DOI: 10.1021/acs.jmedchem.9b00757 BindingDB Entry DOI: 10.7270/Q2KK9G8J
					More data for this Ligand-Target Pair
Aminopeptidase N (Homo sapiens (Human))	BDBM50528347 (CHEMBL4462042) Show SMILES OCCNC(=O)c1ccc(cc1)C(=O)NC(C(=O)NO)c1ccc(cc1)-c1cc(F)c(F)c(F)c1 Show InChI InChI=1S/C24H20F3N3O5/c25-18-11-17(12-19(26)20(18)27)13-1-3-14(4-2-13)21(24(34)30-35)29-23(33)16-7-5-15(6-8-16)22(32)28-9-10-31/h1-8,11-12,21,31,35H,9-10H2,(H,28,32)(H,29,33)(H,30,34)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	163	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of soluble human APN ectodomain stably expressed in HEK293 GnTI(-) cells using H-Leu-NHMec as substrate preincubated for 10 mins followed ...				J Med Chem 62: 7185-7209 (2019) Article DOI: 10.1021/acs.jmedchem.9b00757 BindingDB Entry DOI: 10.7270/Q2KK9G8J
					More data for this Ligand-Target Pair
Aminopeptidase N (Homo sapiens (Human))	BDBM50528318 (CHEMBL4564549) Show SMILES ONC(=O)C(NC(=O)c1ccc2[nH]cnc2c1)c1ccc(cc1)-c1cc(F)c(F)c(F)c1 Show InChI InChI=1S/C22H15F3N4O3/c23-15-7-14(8-16(24)19(15)25)11-1-3-12(4-2-11)20(22(31)29-32)28-21(30)13-5-6-17-18(9-13)27-10-26-17/h1-10,20,32H,(H,26,27)(H,28,30)(H,29,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of soluble human APN ectodomain stably expressed in HEK293 GnTI(-) cells using H-Leu-NHMec as substrate preincubated for 10 mins followed ...				J Med Chem 62: 7185-7209 (2019) Article DOI: 10.1021/acs.jmedchem.9b00757 BindingDB Entry DOI: 10.7270/Q2KK9G8J
					More data for this Ligand-Target Pair
Aminopeptidase N (Homo sapiens (Human))	BDBM50528339 (CHEMBL4459712) Show SMILES ONC(=O)C(NC(=O)CCC(O)=O)c1ccc(cc1)-c1cc(F)c(F)c(F)c1 Show InChI InChI=1S/C18H15F3N2O5/c19-12-7-11(8-13(20)16(12)21)9-1-3-10(4-2-9)17(18(27)23-28)22-14(24)5-6-15(25)26/h1-4,7-8,17,28H,5-6H2,(H,22,24)(H,23,27)(H,25,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	172	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of soluble human APN ectodomain stably expressed in HEK293 GnTI(-) cells using H-Leu-NHMec as substrate preincubated for 10 mins followed ...				J Med Chem 62: 7185-7209 (2019) Article DOI: 10.1021/acs.jmedchem.9b00757 BindingDB Entry DOI: 10.7270/Q2KK9G8J
					More data for this Ligand-Target Pair
Aminopeptidase N (Homo sapiens (Human))	BDBM50528322 (CHEMBL4579696) Show SMILES COc1ccc(cc1OC)C(=O)NC(C(=O)NO)c1ccc(cc1)-c1cc(F)c(F)c(F)c1 Show InChI InChI=1S/C23H19F3N2O5/c1-32-18-8-7-14(11-19(18)33-2)22(29)27-21(23(30)28-31)13-5-3-12(4-6-13)15-9-16(24)20(26)17(25)10-15/h3-11,21,31H,1-2H3,(H,27,29)(H,28,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	175	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of soluble human APN ectodomain stably expressed in HEK293 GnTI(-) cells using H-Leu-NHMec as substrate preincubated for 10 mins followed ...				J Med Chem 62: 7185-7209 (2019) Article DOI: 10.1021/acs.jmedchem.9b00757 BindingDB Entry DOI: 10.7270/Q2KK9G8J
					More data for this Ligand-Target Pair
Aminopeptidase N (Homo sapiens (Human))	BDBM50528348 (CHEMBL4566082) Show SMILES CN(C)C(=O)c1ccc(cc1)C(=O)NC(C(=O)NO)c1ccc(cc1)-c1cc(F)c(F)c(F)c1 Show InChI InChI=1S/C24H20F3N3O4/c1-30(2)24(33)16-9-7-15(8-10-16)22(31)28-21(23(32)29-34)14-5-3-13(4-6-14)17-11-18(25)20(27)19(26)12-17/h3-12,21,34H,1-2H3,(H,28,31)(H,29,32)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	182	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of soluble human APN ectodomain stably expressed in HEK293 GnTI(-) cells using H-Leu-NHMec as substrate preincubated for 10 mins followed ...				J Med Chem 62: 7185-7209 (2019) Article DOI: 10.1021/acs.jmedchem.9b00757 BindingDB Entry DOI: 10.7270/Q2KK9G8J
					More data for this Ligand-Target Pair
Aminopeptidase N (Homo sapiens (Human))	BDBM50528326 (CHEMBL4462406) Show SMILES CNC(=O)c1ccc(cc1)C(=O)NC(C(=O)NO)c1ccc(cc1)-c1cc(F)c(F)c(F)c1 Show InChI InChI=1S/C23H18F3N3O4/c1-27-21(30)14-6-8-15(9-7-14)22(31)28-20(23(32)29-33)13-4-2-12(3-5-13)16-10-17(24)19(26)18(25)11-16/h2-11,20,33H,1H3,(H,27,30)(H,28,31)(H,29,32)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	185	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of soluble human APN ectodomain stably expressed in HEK293 GnTI(-) cells using H-Leu-NHMec as substrate preincubated for 10 mins followed ...				J Med Chem 62: 7185-7209 (2019) Article DOI: 10.1021/acs.jmedchem.9b00757 BindingDB Entry DOI: 10.7270/Q2KK9G8J
					More data for this Ligand-Target Pair
Aminopeptidase N (Homo sapiens (Human))	BDBM50528351 (CHEMBL4475350) Show SMILES ONC(=O)C(NC(=O)CC(O)=O)c1ccc(cc1)-c1cc(F)c(F)c(F)c1 Show InChI InChI=1S/C17H13F3N2O5/c18-11-5-10(6-12(19)15(11)20)8-1-3-9(4-2-8)16(17(26)22-27)21-13(23)7-14(24)25/h1-6,16,27H,7H2,(H,21,23)(H,22,26)(H,24,25)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	188	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of soluble human APN ectodomain stably expressed in HEK293 GnTI(-) cells using H-Leu-NHMec as substrate preincubated for 10 mins followed ...				J Med Chem 62: 7185-7209 (2019) Article DOI: 10.1021/acs.jmedchem.9b00757 BindingDB Entry DOI: 10.7270/Q2KK9G8J
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50135223 (CHEMBL3747317) Show SMILES Cl.Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@]51C[C@H](C(=O)NCCCCCCN)[C@]2(OC)C=C1)ccc3O |r,wU:3.0,15.12,wD:29.31,18.19,16.35,9.7,c:34,THB:12:11:16:8.6.7,(9.21,-3.11,;6.71,-3.11,;-3.09,.25,;-2.14,.56,;-3.29,2.15,;-2.14,3.7,;-.79,2.91,;.54,3.7,;1.89,2.91,;1.89,1.36,;1.02,1.86,;3.25,.56,;4.02,-.36,;2.66,2.1,;.5,2.12,;-.79,1.36,;.54,.56,;.54,-.96,;-.79,-1.74,;-.78,-3.24,;.26,-3.83,;-2.08,-3.99,;-2.07,-5.49,;-3.37,-6.25,;-3.36,-7.75,;-4.65,-8.5,;-4.65,-10,;-5.94,-10.76,;-5.94,-11.96,;-2.14,-.96,;-1.41,.37,;-2.05,1.38,;-.86,-.7,;-.86,.27,;.54,5.25,;-.79,6.03,;-2.14,5.25,;-3.18,5.85,)| Show InChI InChI=1S/C27H37N3O4.2ClH/c1-30-14-11-26-21-17-7-8-19(31)22(21)34-24(26)27(33-2)10-9-25(26,20(30)15-17)16-18(27)23(32)29-13-6-4-3-5-12-28;;/h7-10,18,20,24,31H,3-6,11-16,28H2,1-2H3,(H,29,32);2*1H/t18-,20-,24-,25-,26+,27-;;/m1../s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	195	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human MOR expressed in CHO-FlpIn cell membranes after 1 hr by liquid scintillation counting analysis				J Med Chem 58: 9754-67 (2015) Article DOI: 10.1021/acs.jmedchem.5b01664 BindingDB Entry DOI: 10.7270/Q25M67K5
					More data for this Ligand-Target Pair
Aminopeptidase N (Homo sapiens (Human))	BDBM50528323 (CHEMBL4439556) Show SMILES Nc1ccc(cc1)C(=O)NC(C(=O)NO)c1ccc(cc1)-c1cc(F)c(F)c(F)c1 Show InChI InChI=1S/C21H16F3N3O3/c22-16-9-14(10-17(23)18(16)24)11-1-3-12(4-2-11)19(21(29)27-30)26-20(28)13-5-7-15(25)8-6-13/h1-10,19,30H,25H2,(H,26,28)(H,27,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	205	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of soluble human APN ectodomain stably expressed in HEK293 GnTI(-) cells using H-Leu-NHMec as substrate preincubated for 10 mins followed ...				J Med Chem 62: 7185-7209 (2019) Article DOI: 10.1021/acs.jmedchem.9b00757 BindingDB Entry DOI: 10.7270/Q2KK9G8J
					More data for this Ligand-Target Pair
Aminopeptidase N (Homo sapiens (Human))	BDBM50528316 (CHEMBL4468609) Show SMILES ONC(=O)C(NC(=O)Cc1ccc(O)cc1)c1ccc(cc1)-c1cc(F)c(F)c(F)c1 Show InChI InChI=1S/C22H17F3N2O4/c23-17-10-15(11-18(24)20(17)25)13-3-5-14(6-4-13)21(22(30)27-31)26-19(29)9-12-1-7-16(28)8-2-12/h1-8,10-11,21,28,31H,9H2,(H,26,29)(H,27,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	235	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of soluble human APN ectodomain stably expressed in HEK293 GnTI(-) cells using H-Leu-NHMec as substrate preincubated for 10 mins followed ...				J Med Chem 62: 7185-7209 (2019) Article DOI: 10.1021/acs.jmedchem.9b00757 BindingDB Entry DOI: 10.7270/Q2KK9G8J
					More data for this Ligand-Target Pair
Aminopeptidase N (Homo sapiens (Human))	BDBM50528352 (CHEMBL4535765) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NC(C(=O)NO)c1ccc(cc1)-c1cc(F)c(F)c(F)c1 Show InChI InChI=1S/C21H16F3N3O5S/c22-16-9-14(10-17(23)18(16)24)11-1-3-12(4-2-11)19(21(29)27-30)26-20(28)13-5-7-15(8-6-13)33(25,31)32/h1-10,19,30H,(H,26,28)(H,27,29)(H2,25,31,32)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of soluble human APN ectodomain stably expressed in HEK293 GnTI(-) cells using H-Leu-NHMec as substrate preincubated for 10 mins followed ...				J Med Chem 62: 7185-7209 (2019) Article DOI: 10.1021/acs.jmedchem.9b00757 BindingDB Entry DOI: 10.7270/Q2KK9G8J
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50135220 (CHEMBL3746274) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]51C=C[C@@]2(OC)[C@@]2([H])C(=O)N(CCCCCCNC(=O)OC(C)(C)C)C(=O)[C@@]12[H])ccc3O |r,wU:20.24,41.47,13.12,1.0,wD:17.21,7.7,14.17,c:18,THB:10:9:14:4.5.6,(2.86,1.66,;2.59,.65,;4.54,.65,;5.3,-.89,;3.92,-1.67,;3.92,-3.21,;2.59,-3.95,;1.25,-3.19,;2.15,-2.66,;,-3.95,;-1.24,-4.15,;1.37,-4.28,;3.06,-2.3,;2.59,-.86,;1.25,-1.67,;1.65,-.29,;.65,.23,;1.25,1.43,;.1,2.51,;.41,3.73,;,.68,;-.12,1.72,;-1.56,1.16,;-1.95,2.35,;-2.41,,;-3.86,.62,;-4.04,2.17,;-5.49,2.79,;-5.13,4.32,;-6.27,5.39,;-5.92,6.92,;-7.06,7.99,;-6.71,9.52,;-5.5,9.89,;-7.85,10.59,;-7.49,12.12,;-8.41,12.98,;-7.21,13.34,;-6.29,12.49,;-1.56,-1.33,;-1.99,-2.51,;,-.86,;-.84,-.23,;5.3,-3.99,;6.65,-3.19,;6.65,-1.69,;7.74,-1.07,)| Show InChI InChI=1S/C33H43N3O7/c1-30(2,3)43-29(40)34-15-8-6-7-9-16-36-26(38)23-24(27(36)39)33(41-5)13-12-31(23)21-18-19-10-11-20(37)25-22(19)32(31,28(33)42-25)14-17-35(21)4/h10-13,21,23-24,28,37H,6-9,14-18H2,1-5H3,(H,34,40)/t21-,23+,24-,28-,31+,32+,33-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	263	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human MOR expressed in CHO-FlpIn cell membranes after 1 hr by liquid scintillation counting analysis				J Med Chem 58: 9754-67 (2015) Article DOI: 10.1021/acs.jmedchem.5b01664 BindingDB Entry DOI: 10.7270/Q25M67K5
					More data for this Ligand-Target Pair
Aminopeptidase N (Homo sapiens (Human))	BDBM50528325 (CHEMBL4440454) Show SMILES CCNC(=O)c1ccc(cc1)C(=O)NC(C(=O)NO)c1ccc(cc1)-c1cc(F)c(F)c(F)c1 Show InChI InChI=1S/C24H20F3N3O4/c1-2-28-22(31)15-7-9-16(10-8-15)23(32)29-21(24(33)30-34)14-5-3-13(4-6-14)17-11-18(25)20(27)19(26)12-17/h3-12,21,34H,2H2,1H3,(H,28,31)(H,29,32)(H,30,33)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	277	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of soluble human APN ectodomain stably expressed in HEK293 GnTI(-) cells using H-Leu-NHMec as substrate preincubated for 10 mins followed ...				J Med Chem 62: 7185-7209 (2019) Article DOI: 10.1021/acs.jmedchem.9b00757 BindingDB Entry DOI: 10.7270/Q2KK9G8J
					More data for this Ligand-Target Pair
Aminopeptidase N (Homo sapiens (Human))	BDBM50528333 (CHEMBL4460369) Show SMILES ONC(=O)CC(=O)NC(C(=O)NO)c1ccc(cc1)-c1cc(F)c(F)c(F)c1 Show InChI InChI=1S/C17H14F3N3O5/c18-11-5-10(6-12(19)15(11)20)8-1-3-9(4-2-8)16(17(26)23-28)21-13(24)7-14(25)22-27/h1-6,16,27-28H,7H2,(H,21,24)(H,22,25)(H,23,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	348	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of soluble human APN ectodomain stably expressed in HEK293 GnTI(-) cells using H-Leu-NHMec as substrate preincubated for 10 mins followed ...				J Med Chem 62: 7185-7209 (2019) Article DOI: 10.1021/acs.jmedchem.9b00757 BindingDB Entry DOI: 10.7270/Q2KK9G8J
					More data for this Ligand-Target Pair

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