Compile Data Set for Download or QSAR

Found 106 hits with Last Name = 'marcelo' and Initial = 'f'   

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
Aldehyde oxidase (Homo sapiens (Human))	BDBM19441 (2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethox...) Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	0.870	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Uncompetitive type inhibition of human AOX assessed as inhibition constant using vanillin as substrate by HPLC-MS analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01125 BindingDB Entry DOI: 10.7270/Q2C82F55
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldehyde oxidase (Homo sapiens (Human))	BDBM19441 (2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethox...) Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	0.870	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Uncompetitive type inhibition of human AOX assessed as inhibition constant using phthalazine as substrate preincubated for 30 mins followed by substr...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01125 BindingDB Entry DOI: 10.7270/Q2C82F55
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldehyde oxidase (Homo sapiens (Human))	BDBM19441 (2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethox...) Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	0.870	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Uncompetitive type inhibition of human AOX assessed as inhibition constant using nicotine-1(S)-iminium ion as substrate incubated for 2 mins by HPLC-...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01125 BindingDB Entry DOI: 10.7270/Q2C82F55
					More data for this Ligand-Target Pair				3D Structure (crystal)
Oprd1b protein (Danio rerio)	BDBM50019056 ((S)-2-[(S)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-pheny...) Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C27H35N5O7S/c1-40-12-11-21(27(38)39)32-26(37)22(14-17-5-3-2-4-6-17)31-24(35)16-29-23(34)15-30-25(36)20(28)13-18-7-9-19(33)10-8-18/h2-10,20-22,33H,11-16,28H2,1H3,(H,29,34)(H,30,36)(H,31,35)(H,32,37)(H,38,39)/t20-,21-,22-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica Avanzada de Catalu£a (IQAC-CSIC) Curated by ChEMBL					Assay Description Displacement of [3H]DPN from zebrafish delta 1b opioid receptor expressed in HEK293 cell membranes after 4 hrs by scintillation counting method				Bioorg Med Chem 25: 2260-2265 (2017) Article DOI: 10.1016/j.bmc.2017.02.052 BindingDB Entry DOI: 10.7270/Q2QR50CJ
					More data for this Ligand-Target Pair
Opioid receptor homologue (Danio rerio)	BDBM50001465 ((S)-2-[(S)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-pheny...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C28H37N5O7/c1-17(2)12-23(28(39)40)33-27(38)22(14-18-6-4-3-5-7-18)32-25(36)16-30-24(35)15-31-26(37)21(29)13-19-8-10-20(34)11-9-19/h3-11,17,21-23,34H,12-16,29H2,1-2H3,(H,30,35)(H,31,37)(H,32,36)(H,33,38)(H,39,40)/t21-,22-,23-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	73	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica Avanzada de Catalu£a (IQAC-CSIC) Curated by ChEMBL					Assay Description Displacement of [3H]DPN from zebrafish delta 1a opioid receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting method				Bioorg Med Chem 25: 2260-2265 (2017) Article DOI: 10.1016/j.bmc.2017.02.052 BindingDB Entry DOI: 10.7270/Q2QR50CJ
					More data for this Ligand-Target Pair
Oprd1b protein (Danio rerio)	BDBM50233416 (CHEMBL4065055) Show SMILES [H][C@@]1(O[C@H]2C[C@H](N(C2)C(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](CCSC)NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(N)=O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C36H50N6O12S/c1-55-12-11-24(41-33(50)23(37)13-20-7-9-21(44)10-8-20)34(51)39-16-28(45)40-25(14-19-5-3-2-4-6-19)35(52)42-17-22(15-26(42)32(38)49)53-36-31(48)30(47)29(46)27(18-43)54-36/h2-10,22-27,29-31,36,43-44,46-48H,11-18,37H2,1H3,(H2,38,49)(H,39,51)(H,40,45)(H,41,50)/t22-,23-,24+,25-,26-,27+,29+,30-,31+,36+/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	159	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica Avanzada de Catalu£a (IQAC-CSIC) Curated by ChEMBL					Assay Description Displacement of [3H]DPN from zebrafish delta 1b opioid receptor expressed in HEK293 cell membranes after 4 hrs by scintillation counting method				Bioorg Med Chem 25: 2260-2265 (2017) Article DOI: 10.1016/j.bmc.2017.02.052 BindingDB Entry DOI: 10.7270/Q2QR50CJ
					More data for this Ligand-Target Pair
Oprd1b protein (Danio rerio)	BDBM50001465 ((S)-2-[(S)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-pheny...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C28H37N5O7/c1-17(2)12-23(28(39)40)33-27(38)22(14-18-6-4-3-5-7-18)32-25(36)16-30-24(35)15-31-26(37)21(29)13-19-8-10-20(34)11-9-19/h3-11,17,21-23,34H,12-16,29H2,1-2H3,(H,30,35)(H,31,37)(H,32,36)(H,33,38)(H,39,40)/t21-,22-,23-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	175	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica Avanzada de Catalu£a (IQAC-CSIC) Curated by ChEMBL					Assay Description Displacement of [3H]DPN from zebrafish delta 1b opioid receptor expressed in HEK293 cell membranes after 4 hrs by scintillation counting method				Bioorg Med Chem 25: 2260-2265 (2017) Article DOI: 10.1016/j.bmc.2017.02.052 BindingDB Entry DOI: 10.7270/Q2QR50CJ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Danio rerio)	BDBM50000092 ((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1| Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	187	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica Avanzada de Catalu£a (IQAC-CSIC) Curated by ChEMBL					Assay Description Displacement of [3H]DPN from zebrafish mu opioid receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting method				Bioorg Med Chem 25: 2260-2265 (2017) Article DOI: 10.1016/j.bmc.2017.02.052 BindingDB Entry DOI: 10.7270/Q2QR50CJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mu-type opioid receptor (Danio rerio)	BDBM50233418 (CHEMBL4101712) Show SMILES [H][C@@]1(O[C@H]2C[C@H](N(C2)C(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](CCSC)NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(N)=O)O[C@H](CO)[C@@H](O[C@@]2([H])O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C42H60N6O17S/c1-66-12-11-25(47-38(59)24(43)13-21-7-9-22(51)10-8-21)39(60)45-16-30(52)46-26(14-20-5-3-2-4-6-20)40(61)48-17-23(15-27(48)37(44)58)62-41-35(57)33(55)36(29(19-50)64-41)65-42-34(56)32(54)31(53)28(18-49)63-42/h2-10,23-29,31-36,41-42,49-51,53-57H,11-19,43H2,1H3,(H2,44,58)(H,45,60)(H,46,52)(H,47,59)/t23-,24-,25+,26-,27-,28-,29+,31+,32+,33+,34-,35+,36+,41+,42+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	203	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica Avanzada de Catalu£a (IQAC-CSIC) Curated by ChEMBL					Assay Description Displacement of [3H]DPN from zebrafish mu opioid receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting method				Bioorg Med Chem 25: 2260-2265 (2017) Article DOI: 10.1016/j.bmc.2017.02.052 BindingDB Entry DOI: 10.7270/Q2QR50CJ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Danio rerio)	BDBM50233419 (CHEMBL4083712) Show SMILES [H][C@@]1(O[C@H]2C[C@H](N(C2)C(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](CCSC)NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(N)=O)O[C@H](CO)[C@@H](O[C@@]2([H])O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C42H60N6O17S/c1-66-12-11-25(47-38(59)24(43)13-21-7-9-22(51)10-8-21)39(60)45-16-30(52)46-26(14-20-5-3-2-4-6-20)40(61)48-17-23(15-27(48)37(44)58)62-41-35(57)33(55)36(29(19-50)64-41)65-42-34(56)32(54)31(53)28(18-49)63-42/h2-10,23-29,31-36,41-42,49-51,53-57H,11-19,43H2,1H3,(H2,44,58)(H,45,60)(H,46,52)(H,47,59)/t23-,24-,25+,26-,27-,28-,29+,31-,32+,33+,34-,35+,36+,41+,42+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	223	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica Avanzada de Catalu£a (IQAC-CSIC) Curated by ChEMBL					Assay Description Displacement of [3H]DPN from zebrafish mu opioid receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting method				Bioorg Med Chem 25: 2260-2265 (2017) Article DOI: 10.1016/j.bmc.2017.02.052 BindingDB Entry DOI: 10.7270/Q2QR50CJ
					More data for this Ligand-Target Pair
Opioid receptor homologue (Danio rerio)	BDBM50000092 ((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1| Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	223	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica Avanzada de Catalu£a (IQAC-CSIC) Curated by ChEMBL					Assay Description Displacement of [3H]DPN from zebrafish delta 1a opioid receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting method				Bioorg Med Chem 25: 2260-2265 (2017) Article DOI: 10.1016/j.bmc.2017.02.052 BindingDB Entry DOI: 10.7270/Q2QR50CJ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Danio rerio)	BDBM50233415 (CHEMBL4064725) Show SMILES [H][C@]1(O[C@H]2C[C@H](N(C2)C(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](CCSC)NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(N)=O)O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C36H50N6O12S/c1-55-12-11-24(41-33(50)23(37)13-20-7-9-21(44)10-8-20)34(51)39-16-28(45)40-25(14-19-5-3-2-4-6-19)35(52)42-17-22(15-26(42)32(38)49)53-36-31(48)30(47)29(46)27(18-43)54-36/h2-10,22-27,29-31,36,43-44,46-48H,11-18,37H2,1H3,(H2,38,49)(H,39,51)(H,40,45)(H,41,50)/t22-,23-,24+,25-,26-,27+,29+,30-,31-,36-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	239	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica Avanzada de Catalu£a (IQAC-CSIC) Curated by ChEMBL					Assay Description Displacement of [3H]DPN from zebrafish mu opioid receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting method				Bioorg Med Chem 25: 2260-2265 (2017) Article DOI: 10.1016/j.bmc.2017.02.052 BindingDB Entry DOI: 10.7270/Q2QR50CJ
					More data for this Ligand-Target Pair
Oprd1b protein (Danio rerio)	BDBM50233414 (CHEMBL4095111) Show SMILES CSCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(N)=O |r| Show InChI InChI=1S/C30H40N6O6S/c1-43-15-13-23(35-28(40)22(31)16-20-9-11-21(37)12-10-20)29(41)33-18-26(38)34-24(17-19-6-3-2-4-7-19)30(42)36-14-5-8-25(36)27(32)39/h2-4,6-7,9-12,22-25,37H,5,8,13-18,31H2,1H3,(H2,32,39)(H,33,41)(H,34,38)(H,35,40)/t22-,23+,24-,25-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	256	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica Avanzada de Catalu£a (IQAC-CSIC) Curated by ChEMBL					Assay Description Displacement of [3H]DPN from zebrafish delta 1b opioid receptor expressed in HEK293 cell membranes after 4 hrs by scintillation counting method				Bioorg Med Chem 25: 2260-2265 (2017) Article DOI: 10.1016/j.bmc.2017.02.052 BindingDB Entry DOI: 10.7270/Q2QR50CJ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Danio rerio)	BDBM50233414 (CHEMBL4095111) Show SMILES CSCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(N)=O |r| Show InChI InChI=1S/C30H40N6O6S/c1-43-15-13-23(35-28(40)22(31)16-20-9-11-21(37)12-10-20)29(41)33-18-26(38)34-24(17-19-6-3-2-4-7-19)30(42)36-14-5-8-25(36)27(32)39/h2-4,6-7,9-12,22-25,37H,5,8,13-18,31H2,1H3,(H2,32,39)(H,33,41)(H,34,38)(H,35,40)/t22-,23+,24-,25-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	269	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica Avanzada de Catalu£a (IQAC-CSIC) Curated by ChEMBL					Assay Description Displacement of [3H]DPN from zebrafish mu opioid receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting method				Bioorg Med Chem 25: 2260-2265 (2017) Article DOI: 10.1016/j.bmc.2017.02.052 BindingDB Entry DOI: 10.7270/Q2QR50CJ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Danio rerio)	BDBM50233416 (CHEMBL4065055) Show SMILES [H][C@@]1(O[C@H]2C[C@H](N(C2)C(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](CCSC)NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(N)=O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C36H50N6O12S/c1-55-12-11-24(41-33(50)23(37)13-20-7-9-21(44)10-8-20)34(51)39-16-28(45)40-25(14-19-5-3-2-4-6-19)35(52)42-17-22(15-26(42)32(38)49)53-36-31(48)30(47)29(46)27(18-43)54-36/h2-10,22-27,29-31,36,43-44,46-48H,11-18,37H2,1H3,(H2,38,49)(H,39,51)(H,40,45)(H,41,50)/t22-,23-,24+,25-,26-,27+,29+,30-,31+,36+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	313	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica Avanzada de Catalu£a (IQAC-CSIC) Curated by ChEMBL					Assay Description Displacement of [3H]DPN from zebrafish mu opioid receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting method				Bioorg Med Chem 25: 2260-2265 (2017) Article DOI: 10.1016/j.bmc.2017.02.052 BindingDB Entry DOI: 10.7270/Q2QR50CJ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Danio rerio)	BDBM50233417 (CHEMBL4102609) Show SMILES [H][C@@]1(O[C@H]2C[C@H](N(C2)C(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](CCSC)NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(N)=O)O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C36H50N6O12S/c1-55-12-11-24(41-33(50)23(37)13-20-7-9-21(44)10-8-20)34(51)39-16-28(45)40-25(14-19-5-3-2-4-6-19)35(52)42-17-22(15-26(42)32(38)49)53-36-31(48)30(47)29(46)27(18-43)54-36/h2-10,22-27,29-31,36,43-44,46-48H,11-18,37H2,1H3,(H2,38,49)(H,39,51)(H,40,45)(H,41,50)/t22-,23-,24+,25-,26-,27+,29-,30-,31+,36+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	383	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica Avanzada de Catalu£a (IQAC-CSIC) Curated by ChEMBL					Assay Description Displacement of [3H]DPN from zebrafish mu opioid receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting method				Bioorg Med Chem 25: 2260-2265 (2017) Article DOI: 10.1016/j.bmc.2017.02.052 BindingDB Entry DOI: 10.7270/Q2QR50CJ
					More data for this Ligand-Target Pair
Opioid receptor homologue (Danio rerio)	BDBM50233416 (CHEMBL4065055) Show SMILES [H][C@@]1(O[C@H]2C[C@H](N(C2)C(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](CCSC)NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(N)=O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C36H50N6O12S/c1-55-12-11-24(41-33(50)23(37)13-20-7-9-21(44)10-8-20)34(51)39-16-28(45)40-25(14-19-5-3-2-4-6-19)35(52)42-17-22(15-26(42)32(38)49)53-36-31(48)30(47)29(46)27(18-43)54-36/h2-10,22-27,29-31,36,43-44,46-48H,11-18,37H2,1H3,(H2,38,49)(H,39,51)(H,40,45)(H,41,50)/t22-,23-,24+,25-,26-,27+,29+,30-,31+,36+/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica Avanzada de Catalu£a (IQAC-CSIC) Curated by ChEMBL					Assay Description Displacement of [3H]DPN from zebrafish delta 1a opioid receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting method				Bioorg Med Chem 25: 2260-2265 (2017) Article DOI: 10.1016/j.bmc.2017.02.052 BindingDB Entry DOI: 10.7270/Q2QR50CJ
					More data for this Ligand-Target Pair
Opioid receptor homologue (Danio rerio)	BDBM50233417 (CHEMBL4102609) Show SMILES [H][C@@]1(O[C@H]2C[C@H](N(C2)C(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](CCSC)NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(N)=O)O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C36H50N6O12S/c1-55-12-11-24(41-33(50)23(37)13-20-7-9-21(44)10-8-20)34(51)39-16-28(45)40-25(14-19-5-3-2-4-6-19)35(52)42-17-22(15-26(42)32(38)49)53-36-31(48)30(47)29(46)27(18-43)54-36/h2-10,22-27,29-31,36,43-44,46-48H,11-18,37H2,1H3,(H2,38,49)(H,39,51)(H,40,45)(H,41,50)/t22-,23-,24+,25-,26-,27+,29-,30-,31+,36+/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	468	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica Avanzada de Catalu£a (IQAC-CSIC) Curated by ChEMBL					Assay Description Displacement of [3H]DPN from zebrafish delta 1a opioid receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting method				Bioorg Med Chem 25: 2260-2265 (2017) Article DOI: 10.1016/j.bmc.2017.02.052 BindingDB Entry DOI: 10.7270/Q2QR50CJ
					More data for this Ligand-Target Pair
Oprd1b protein (Danio rerio)	BDBM50233417 (CHEMBL4102609) Show SMILES [H][C@@]1(O[C@H]2C[C@H](N(C2)C(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](CCSC)NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(N)=O)O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C36H50N6O12S/c1-55-12-11-24(41-33(50)23(37)13-20-7-9-21(44)10-8-20)34(51)39-16-28(45)40-25(14-19-5-3-2-4-6-19)35(52)42-17-22(15-26(42)32(38)49)53-36-31(48)30(47)29(46)27(18-43)54-36/h2-10,22-27,29-31,36,43-44,46-48H,11-18,37H2,1H3,(H2,38,49)(H,39,51)(H,40,45)(H,41,50)/t22-,23-,24+,25-,26-,27+,29-,30-,31+,36+/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	519	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica Avanzada de Catalu£a (IQAC-CSIC) Curated by ChEMBL					Assay Description Displacement of [3H]DPN from zebrafish delta 1b opioid receptor expressed in HEK293 cell membranes after 4 hrs by scintillation counting method				Bioorg Med Chem 25: 2260-2265 (2017) Article DOI: 10.1016/j.bmc.2017.02.052 BindingDB Entry DOI: 10.7270/Q2QR50CJ
					More data for this Ligand-Target Pair
Oprd1b protein (Danio rerio)	BDBM50233419 (CHEMBL4083712) Show SMILES [H][C@@]1(O[C@H]2C[C@H](N(C2)C(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](CCSC)NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(N)=O)O[C@H](CO)[C@@H](O[C@@]2([H])O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C42H60N6O17S/c1-66-12-11-25(47-38(59)24(43)13-21-7-9-22(51)10-8-21)39(60)45-16-30(52)46-26(14-20-5-3-2-4-6-20)40(61)48-17-23(15-27(48)37(44)58)62-41-35(57)33(55)36(29(19-50)64-41)65-42-34(56)32(54)31(53)28(18-49)63-42/h2-10,23-29,31-36,41-42,49-51,53-57H,11-19,43H2,1H3,(H2,44,58)(H,45,60)(H,46,52)(H,47,59)/t23-,24-,25+,26-,27-,28-,29+,31-,32+,33+,34-,35+,36+,41+,42+/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	528	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica Avanzada de Catalu£a (IQAC-CSIC) Curated by ChEMBL					Assay Description Displacement of [3H]DPN from zebrafish delta 1b opioid receptor expressed in HEK293 cell membranes after 4 hrs by scintillation counting method				Bioorg Med Chem 25: 2260-2265 (2017) Article DOI: 10.1016/j.bmc.2017.02.052 BindingDB Entry DOI: 10.7270/Q2QR50CJ
					More data for this Ligand-Target Pair
Oprd1b protein (Danio rerio)	BDBM50233415 (CHEMBL4064725) Show SMILES [H][C@]1(O[C@H]2C[C@H](N(C2)C(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](CCSC)NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(N)=O)O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C36H50N6O12S/c1-55-12-11-24(41-33(50)23(37)13-20-7-9-21(44)10-8-20)34(51)39-16-28(45)40-25(14-19-5-3-2-4-6-19)35(52)42-17-22(15-26(42)32(38)49)53-36-31(48)30(47)29(46)27(18-43)54-36/h2-10,22-27,29-31,36,43-44,46-48H,11-18,37H2,1H3,(H2,38,49)(H,39,51)(H,40,45)(H,41,50)/t22-,23-,24+,25-,26-,27+,29+,30-,31-,36-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	536	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica Avanzada de Catalu£a (IQAC-CSIC) Curated by ChEMBL					Assay Description Displacement of [3H]DPN from zebrafish delta 1b opioid receptor expressed in HEK293 cell membranes after 4 hrs by scintillation counting method				Bioorg Med Chem 25: 2260-2265 (2017) Article DOI: 10.1016/j.bmc.2017.02.052 BindingDB Entry DOI: 10.7270/Q2QR50CJ
					More data for this Ligand-Target Pair
Oprd1b protein (Danio rerio)	BDBM50233418 (CHEMBL4101712) Show SMILES [H][C@@]1(O[C@H]2C[C@H](N(C2)C(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](CCSC)NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(N)=O)O[C@H](CO)[C@@H](O[C@@]2([H])O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C42H60N6O17S/c1-66-12-11-25(47-38(59)24(43)13-21-7-9-22(51)10-8-21)39(60)45-16-30(52)46-26(14-20-5-3-2-4-6-20)40(61)48-17-23(15-27(48)37(44)58)62-41-35(57)33(55)36(29(19-50)64-41)65-42-34(56)32(54)31(53)28(18-49)63-42/h2-10,23-29,31-36,41-42,49-51,53-57H,11-19,43H2,1H3,(H2,44,58)(H,45,60)(H,46,52)(H,47,59)/t23-,24-,25+,26-,27-,28-,29+,31+,32+,33+,34-,35+,36+,41+,42+/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	559	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica Avanzada de Catalu£a (IQAC-CSIC) Curated by ChEMBL					Assay Description Displacement of [3H]DPN from zebrafish delta 1b opioid receptor expressed in HEK293 cell membranes after 4 hrs by scintillation counting method				Bioorg Med Chem 25: 2260-2265 (2017) Article DOI: 10.1016/j.bmc.2017.02.052 BindingDB Entry DOI: 10.7270/Q2QR50CJ
					More data for this Ligand-Target Pair
Opioid receptor homologue (Danio rerio)	BDBM50233414 (CHEMBL4095111) Show SMILES CSCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(N)=O |r| Show InChI InChI=1S/C30H40N6O6S/c1-43-15-13-23(35-28(40)22(31)16-20-9-11-21(37)12-10-20)29(41)33-18-26(38)34-24(17-19-6-3-2-4-7-19)30(42)36-14-5-8-25(36)27(32)39/h2-4,6-7,9-12,22-25,37H,5,8,13-18,31H2,1H3,(H2,32,39)(H,33,41)(H,34,38)(H,35,40)/t22-,23+,24-,25-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	566	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica Avanzada de Catalu£a (IQAC-CSIC) Curated by ChEMBL					Assay Description Displacement of [3H]DPN from zebrafish delta 1a opioid receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting method				Bioorg Med Chem 25: 2260-2265 (2017) Article DOI: 10.1016/j.bmc.2017.02.052 BindingDB Entry DOI: 10.7270/Q2QR50CJ
					More data for this Ligand-Target Pair
Opioid receptor homologue (Danio rerio)	BDBM50233415 (CHEMBL4064725) Show SMILES [H][C@]1(O[C@H]2C[C@H](N(C2)C(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](CCSC)NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(N)=O)O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C36H50N6O12S/c1-55-12-11-24(41-33(50)23(37)13-20-7-9-21(44)10-8-20)34(51)39-16-28(45)40-25(14-19-5-3-2-4-6-19)35(52)42-17-22(15-26(42)32(38)49)53-36-31(48)30(47)29(46)27(18-43)54-36/h2-10,22-27,29-31,36,43-44,46-48H,11-18,37H2,1H3,(H2,38,49)(H,39,51)(H,40,45)(H,41,50)/t22-,23-,24+,25-,26-,27+,29+,30-,31-,36-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	609	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica Avanzada de Catalu£a (IQAC-CSIC) Curated by ChEMBL					Assay Description Displacement of [3H]DPN from zebrafish delta 1a opioid receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting method				Bioorg Med Chem 25: 2260-2265 (2017) Article DOI: 10.1016/j.bmc.2017.02.052 BindingDB Entry DOI: 10.7270/Q2QR50CJ
					More data for this Ligand-Target Pair
Opioid receptor homologue (Danio rerio)	BDBM50233418 (CHEMBL4101712) Show SMILES [H][C@@]1(O[C@H]2C[C@H](N(C2)C(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](CCSC)NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(N)=O)O[C@H](CO)[C@@H](O[C@@]2([H])O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C42H60N6O17S/c1-66-12-11-25(47-38(59)24(43)13-21-7-9-22(51)10-8-21)39(60)45-16-30(52)46-26(14-20-5-3-2-4-6-20)40(61)48-17-23(15-27(48)37(44)58)62-41-35(57)33(55)36(29(19-50)64-41)65-42-34(56)32(54)31(53)28(18-49)63-42/h2-10,23-29,31-36,41-42,49-51,53-57H,11-19,43H2,1H3,(H2,44,58)(H,45,60)(H,46,52)(H,47,59)/t23-,24-,25+,26-,27-,28-,29+,31+,32+,33+,34-,35+,36+,41+,42+/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	635	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica Avanzada de Catalu£a (IQAC-CSIC) Curated by ChEMBL					Assay Description Displacement of [3H]DPN from zebrafish delta 1a opioid receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting method				Bioorg Med Chem 25: 2260-2265 (2017) Article DOI: 10.1016/j.bmc.2017.02.052 BindingDB Entry DOI: 10.7270/Q2QR50CJ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Danio rerio)	BDBM50019056 ((S)-2-[(S)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-pheny...) Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C27H35N5O7S/c1-40-12-11-21(27(38)39)32-26(37)22(14-17-5-3-2-4-6-17)31-24(35)16-29-23(34)15-30-25(36)20(28)13-18-7-9-19(33)10-8-18/h2-10,20-22,33H,11-16,28H2,1H3,(H,29,34)(H,30,36)(H,31,35)(H,32,37)(H,38,39)/t20-,21-,22-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	684	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica Avanzada de Catalu£a (IQAC-CSIC) Curated by ChEMBL					Assay Description Displacement of [3H]DPN from zebrafish mu opioid receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting method				Bioorg Med Chem 25: 2260-2265 (2017) Article DOI: 10.1016/j.bmc.2017.02.052 BindingDB Entry DOI: 10.7270/Q2QR50CJ
					More data for this Ligand-Target Pair
Opioid receptor homologue (Danio rerio)	BDBM50233419 (CHEMBL4083712) Show SMILES [H][C@@]1(O[C@H]2C[C@H](N(C2)C(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](CCSC)NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(N)=O)O[C@H](CO)[C@@H](O[C@@]2([H])O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C42H60N6O17S/c1-66-12-11-25(47-38(59)24(43)13-21-7-9-22(51)10-8-21)39(60)45-16-30(52)46-26(14-20-5-3-2-4-6-20)40(61)48-17-23(15-27(48)37(44)58)62-41-35(57)33(55)36(29(19-50)64-41)65-42-34(56)32(54)31(53)28(18-49)63-42/h2-10,23-29,31-36,41-42,49-51,53-57H,11-19,43H2,1H3,(H2,44,58)(H,45,60)(H,46,52)(H,47,59)/t23-,24-,25+,26-,27-,28-,29+,31-,32+,33+,34-,35+,36+,41+,42+/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	843	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica Avanzada de Catalu£a (IQAC-CSIC) Curated by ChEMBL					Assay Description Displacement of [3H]DPN from zebrafish delta 1a opioid receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting method				Bioorg Med Chem 25: 2260-2265 (2017) Article DOI: 10.1016/j.bmc.2017.02.052 BindingDB Entry DOI: 10.7270/Q2QR50CJ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Danio rerio)	BDBM50001465 ((S)-2-[(S)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-pheny...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C28H37N5O7/c1-17(2)12-23(28(39)40)33-27(38)22(14-18-6-4-3-5-7-18)32-25(36)16-30-24(35)15-31-26(37)21(29)13-19-8-10-20(34)11-9-19/h3-11,17,21-23,34H,12-16,29H2,1-2H3,(H,30,35)(H,31,37)(H,32,36)(H,33,38)(H,39,40)/t21-,22-,23-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.32E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica Avanzada de Catalu£a (IQAC-CSIC) Curated by ChEMBL					Assay Description Displacement of [3H]DPN from zebrafish mu opioid receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting method				Bioorg Med Chem 25: 2260-2265 (2017) Article DOI: 10.1016/j.bmc.2017.02.052 BindingDB Entry DOI: 10.7270/Q2QR50CJ
					More data for this Ligand-Target Pair
Oprd1b protein (Danio rerio)	BDBM50000092 ((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1| Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.43E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica Avanzada de Catalu£a (IQAC-CSIC) Curated by ChEMBL					Assay Description Displacement of [3H]DPN from zebrafish delta 1b opioid receptor expressed in HEK293 cell membranes after 4 hrs by scintillation counting method				Bioorg Med Chem 25: 2260-2265 (2017) Article DOI: 10.1016/j.bmc.2017.02.052 BindingDB Entry DOI: 10.7270/Q2QR50CJ
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50298570 (2-(Acetylamino)-6-chloro-7-(benzyl{6-azido-3,4-di-...) Show SMILES CC(=O)Nc1nc(Cl)c2n(cnc2n1)[C@@H]1O[C@@H]([C@@H](N=[N+]=[N-])C(=O)OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@]2(OCc3ccccc3)[C@H](CO[C@@H]12)OCc1ccccc1 |r| Show InChI InChI=1S/C44H41ClN8O8/c1-28(54)48-43-49-39(45)35-40(50-43)47-27-53(35)41-38-44(60-25-32-20-12-5-13-21-32,33(26-58-38)56-22-29-14-6-2-7-15-29)37(57-23-30-16-8-3-9-17-30)36(61-41)34(51-52-46)42(55)59-24-31-18-10-4-11-19-31/h2-21,27,33-34,36-38,41H,22-26H2,1H3,(H,48,49,50,54)/t33-,34+,36-,37+,38-,41+,44-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Faculdade de Ci£ncias da Universidade de Lisboa Curated by ChEMBL					Assay Description Inhibition of BChE in human serum assessed as hydrolysis of butyrylthiocholine by Ellman's method				Bioorg Med Chem 17: 5106-16 (2009) Article DOI: 10.1016/j.bmc.2009.05.057 BindingDB Entry DOI: 10.7270/Q2V40V8P
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM10620 ((S)-3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)...) Show SMILES [H][C@@](C)(N(C)C)c1cccc(OC(=O)N(C)CC)c1 Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Faculdade de Ci£ncias da Universidade de Lisboa Curated by ChEMBL					Assay Description Inhibition of BChE in human serum assessed as hydrolysis of butyrylthiocholine by Ellman's method				Bioorg Med Chem 17: 5106-16 (2009) Article DOI: 10.1016/j.bmc.2009.05.057 BindingDB Entry DOI: 10.7270/Q2V40V8P
					More data for this Ligand-Target Pair
Aminopeptidase N (Homo sapiens (Human))	BDBM50382508 (CHEMBL2022234) Show SMILES [#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccc(F)cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r| Show InChI InChI=1S/C29H47FN12O8/c30-16-7-5-15(6-8-16)13-20(25(47)42-21(14-43)26(48)40-19(27(49)50)4-2-12-38-29(35)36)41-24(46)18(3-1-11-37-28(33)34)39-23(45)17(31)9-10-22(32)44/h5-8,17-21,43H,1-4,9-14,31H2,(H2,32,44)(H,39,45)(H,40,48)(H,41,46)(H,42,47)(H,49,50)(H4,33,34,37)(H4,35,36,38)/t17-,18-,19-,20+,21-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Advanced Chemistry of Catalonia (IQAC-CSIC) Curated by ChEMBL					Assay Description Inhibition of human recombinant AP-N ectopeptidase activity using alanine-MCA as substrate preincubated for 10 mins with substrate by fluorimetric an...				J Med Chem 55: 1181-8 (2012) Article DOI: 10.1021/jm2012112 BindingDB Entry DOI: 10.7270/Q2NC627J
					More data for this Ligand-Target Pair
Aminopeptidase N (Homo sapiens (Human))	BDBM50382512 (CHEMBL2022238) Show SMILES [#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r| Show InChI InChI=1S/C29H48N12O8/c30-17(10-11-22(31)43)23(44)38-18(8-4-12-36-28(32)33)24(45)40-20(14-16-6-2-1-3-7-16)25(46)41-21(15-42)26(47)39-19(27(48)49)9-5-13-37-29(34)35/h1-3,6-7,17-21,42H,4-5,8-15,30H2,(H2,31,43)(H,38,44)(H,39,47)(H,40,45)(H,41,46)(H,48,49)(H4,32,33,36)(H4,34,35,37)/t17-,18-,19-,20+,21-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Advanced Chemistry of Catalonia (IQAC-CSIC) Curated by ChEMBL					Assay Description Inhibition of human recombinant AP-N ectopeptidase activity using alanine-MCA as substrate preincubated for 10 mins with substrate by fluorimetric an...				J Med Chem 55: 1181-8 (2012) Article DOI: 10.1021/jm2012112 BindingDB Entry DOI: 10.7270/Q2NC627J
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50298569 (2-(acetylamino)-6-chloro-7-{6-O-acetyl-3,4-di-Oben...) Show SMILES CC(=O)Nc1nc(Cl)c2n(cnc2n1)[C@@H]1O[C@H](COC(C)=O)[C@@H](OCc2ccccc2)[C@@]2(OCc3ccccc3)[C@H](CO[C@@H]12)OCc1ccccc1 |r| Show InChI InChI=1S/C38H38ClN5O8/c1-24(45)41-37-42-34(39)31-35(43-37)40-23-44(31)36-33-38(51-20-28-16-10-5-11-17-28,30(22-50-33)48-18-26-12-6-3-7-13-26)32(29(52-36)21-47-25(2)46)49-19-27-14-8-4-9-15-27/h3-17,23,29-30,32-33,36H,18-22H2,1-2H3,(H,41,42,43,45)/t29-,30+,32-,33+,36-,38+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	760	n/a	n/a	n/a	n/a	n/a	n/a
Faculdade de Ci£ncias da Universidade de Lisboa Curated by ChEMBL					Assay Description Inhibition of BChE in human serum assessed as hydrolysis of butyrylthiocholine by Ellman's method				Bioorg Med Chem 17: 5106-16 (2009) Article DOI: 10.1016/j.bmc.2009.05.057 BindingDB Entry DOI: 10.7270/Q2V40V8P
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50298568 (Benzyl{methyl 6-azido-3,4-di-O-benzyl-3-C,2-O-[(1S...) Show SMILES CO[C@H]1O[C@@H]([C@H](N=[N+]=[N-])C(=O)OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@]2(OCc3ccccc3)[C@H](CO[C@@H]12)OCc1ccccc1 |r| Show InChI InChI=1S/C38H39N3O8/c1-43-37-35-38(48-25-30-20-12-5-13-21-30,31(26-46-35)44-22-27-14-6-2-7-15-27)34(45-23-28-16-8-3-9-17-28)33(49-37)32(40-41-39)36(42)47-24-29-18-10-4-11-19-29/h2-21,31-35,37H,22-26H2,1H3/t31-,32-,33-,34+,35-,37-,38-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Faculdade de Ci£ncias da Universidade de Lisboa Curated by ChEMBL					Assay Description Inhibition of BChE in human serum assessed as hydrolysis of butyrylthiocholine by Ellman's method				Bioorg Med Chem 17: 5106-16 (2009) Article DOI: 10.1016/j.bmc.2009.05.057 BindingDB Entry DOI: 10.7270/Q2V40V8P
					More data for this Ligand-Target Pair
Aminopeptidase N (Homo sapiens (Human))	BDBM50382499 (CHEMBL2022225) Show SMILES [#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r| Show InChI InChI=1S/C29H48N12O8/c30-17(10-11-22(31)43)23(44)38-18(8-4-12-36-28(32)33)24(45)40-20(14-16-6-2-1-3-7-16)25(46)41-21(15-42)26(47)39-19(27(48)49)9-5-13-37-29(34)35/h1-3,6-7,17-21,42H,4-5,8-15,30H2,(H2,31,43)(H,38,44)(H,39,47)(H,40,45)(H,41,46)(H,48,49)(H4,32,33,36)(H4,34,35,37)/t17-,18-,19-,20-,21-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Advanced Chemistry of Catalonia (IQAC-CSIC) Curated by ChEMBL					Assay Description Inhibition of human recombinant aminopeptidase N using AbzdR-G-L-EDDnp as substrate after 20 to 40 mins by fluorometry				Bioorg Med Chem Lett 25: 5190-3 (2015) Article DOI: 10.1016/j.bmcl.2015.09.071 BindingDB Entry DOI: 10.7270/Q2FN182S
					More data for this Ligand-Target Pair
Aminopeptidase N (Homo sapiens (Human))	BDBM50382499 (CHEMBL2022225) Show SMILES [#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r| Show InChI InChI=1S/C29H48N12O8/c30-17(10-11-22(31)43)23(44)38-18(8-4-12-36-28(32)33)24(45)40-20(14-16-6-2-1-3-7-16)25(46)41-21(15-42)26(47)39-19(27(48)49)9-5-13-37-29(34)35/h1-3,6-7,17-21,42H,4-5,8-15,30H2,(H2,31,43)(H,38,44)(H,39,47)(H,40,45)(H,41,46)(H,48,49)(H4,32,33,36)(H4,34,35,37)/t17-,18-,19-,20-,21-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Advanced Chemistry of Catalonia (IQAC-CSIC) Curated by ChEMBL					Assay Description Inhibition of human recombinant AP-N ectopeptidase activity using alanine-MCA as substrate preincubated for 10 mins with substrate by fluorimetric an...				J Med Chem 55: 1181-8 (2012) Article DOI: 10.1021/jm2012112 BindingDB Entry DOI: 10.7270/Q2NC627J
					More data for this Ligand-Target Pair
Aminopeptidase N (Homo sapiens (Human))	BDBM50382515 (CHEMBL2024267) Show SMILES [#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O)-c1ccccc1 |r| Show InChI InChI=1S/C28H46N12O8/c29-16(10-11-20(30)42)22(43)37-17(8-4-12-35-27(31)32)23(44)40-21(15-6-2-1-3-7-15)25(46)39-19(14-41)24(45)38-18(26(47)48)9-5-13-36-28(33)34/h1-3,6-7,16-19,21,41H,4-5,8-14,29H2,(H2,30,42)(H,37,43)(H,38,45)(H,39,46)(H,40,44)(H,47,48)(H4,31,32,35)(H4,33,34,36)/t16-,17-,18-,19-,21-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Advanced Chemistry of Catalonia (IQAC-CSIC) Curated by ChEMBL					Assay Description Inhibition of human recombinant AP-N ectopeptidase activity using alanine-MCA as substrate preincubated for 10 mins with substrate by fluorimetric an...				J Med Chem 55: 1181-8 (2012) Article DOI: 10.1021/jm2012112 BindingDB Entry DOI: 10.7270/Q2NC627J
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM50382520 (CHEMBL2022227) Show SMILES [#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r| Show InChI InChI=1S/C26H41N9O8/c1-14(32-22(39)16(27)9-10-20(28)37)21(38)34-18(12-15-6-3-2-4-7-15)23(40)35-19(13-36)24(41)33-17(25(42)43)8-5-11-31-26(29)30/h2-4,6-7,14,16-19,36H,5,8-13,27H2,1H3,(H2,28,37)(H,32,39)(H,33,41)(H,34,38)(H,35,40)(H,42,43)(H4,29,30,31)/t14-,16-,17-,18-,19-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Advanced Chemistry of Catalonia (IQAC-CSIC) Curated by ChEMBL					Assay Description Inhibition of human recombinant NEP ectopeptidase activity using Abz-dRGL-(EDDnp) as substrate preincubated for 10 mins with substrate by fluorimetri...				J Med Chem 55: 1181-8 (2012) Article DOI: 10.1021/jm2012112 BindingDB Entry DOI: 10.7270/Q2NC627J
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50298567 (Benzyl{methyl 6-azido-3,4-di-O-benzyl-3-C,2-O-[(1S...) Show SMILES CO[C@H]1O[C@@H]([C@@H](N=[N+]=[N-])C(=O)OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@]2(OCc3ccccc3)[C@H](CO[C@@H]12)OCc1ccccc1 |r| Show InChI InChI=1S/C38H39N3O8/c1-43-37-35-38(48-25-30-20-12-5-13-21-30,31(26-46-35)44-22-27-14-6-2-7-15-27)34(45-23-28-16-8-3-9-17-28)33(49-37)32(40-41-39)36(42)47-24-29-18-10-4-11-19-29/h2-21,31-35,37H,22-26H2,1H3/t31-,32+,33-,34+,35-,37-,38-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.34E+4	n/a	n/a	n/a	n/a	n/a	n/a
Faculdade de Ci£ncias da Universidade de Lisboa Curated by ChEMBL					Assay Description Inhibition of BChE in human serum assessed as hydrolysis of butyrylthiocholine by Ellman's method				Bioorg Med Chem 17: 5106-16 (2009) Article DOI: 10.1016/j.bmc.2009.05.057 BindingDB Entry DOI: 10.7270/Q2V40V8P
					More data for this Ligand-Target Pair
Aminopeptidase N (Homo sapiens (Human))	BDBM50382507 (CHEMBL2021931) Show SMILES [#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(F)cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r| Show InChI InChI=1S/C29H47FN12O8/c30-16-7-5-15(6-8-16)13-20(25(47)42-21(14-43)26(48)40-19(27(49)50)4-2-12-38-29(35)36)41-24(46)18(3-1-11-37-28(33)34)39-23(45)17(31)9-10-22(32)44/h5-8,17-21,43H,1-4,9-14,31H2,(H2,32,44)(H,39,45)(H,40,48)(H,41,46)(H,42,47)(H,49,50)(H4,33,34,37)(H4,35,36,38)/t17-,18-,19-,20-,21-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.35E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Advanced Chemistry of Catalonia (IQAC-CSIC) Curated by ChEMBL					Assay Description Inhibition of human recombinant AP-N ectopeptidase activity using alanine-MCA as substrate preincubated for 10 mins with substrate by fluorimetric an...				J Med Chem 55: 1181-8 (2012) Article DOI: 10.1021/jm2012112 BindingDB Entry DOI: 10.7270/Q2NC627J
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50298566 (Benzyl{methyl 3,4-di-O-benzyl-3-C,2-O-[(1S)-1-(ben...) Show SMILES CO[C@H]1O[C@@H]([C@@H](O)C(=O)OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@]2(OCc3ccccc3)[C@H](CO[C@@H]12)OCc1ccccc1 |r| Show InChI InChI=1S/C38H40O9/c1-41-37-35-38(46-25-30-20-12-5-13-21-30,31(26-44-35)42-22-27-14-6-2-7-15-27)34(43-23-28-16-8-3-9-17-28)33(47-37)32(39)36(40)45-24-29-18-10-4-11-19-29/h2-21,31-35,37,39H,22-26H2,1H3/t31-,32+,33-,34+,35-,37-,38-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.61E+4	n/a	n/a	n/a	n/a	n/a	n/a
Faculdade de Ci£ncias da Universidade de Lisboa Curated by ChEMBL					Assay Description Inhibition of BChE in human serum assessed as hydrolysis of butyrylthiocholine by Ellman's method				Bioorg Med Chem 17: 5106-16 (2009) Article DOI: 10.1016/j.bmc.2009.05.057 BindingDB Entry DOI: 10.7270/Q2V40V8P
					More data for this Ligand-Target Pair
Aminopeptidase N (Homo sapiens (Human))	BDBM50131538 (CHEMBL3633448) Show SMILES N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C29H48N12O7S/c30-17(10-11-22(31)42)23(43)38-18(8-4-12-36-28(32)33)24(44)40-20(14-16-6-2-1-3-7-16)25(45)41-21(15-49)26(46)39-19(27(47)48)9-5-13-37-29(34)35/h1-3,6-7,17-21,49H,4-5,8-15,30H2,(H2,31,42)(H,38,43)(H,39,46)(H,40,44)(H,41,45)(H,47,48)(H4,32,33,36)(H4,34,35,37)/t17-,18-,19-,20-,21-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Advanced Chemistry of Catalonia (IQAC-CSIC) Curated by ChEMBL					Assay Description Inhibition of human recombinant aminopeptidase N using AbzdR-G-L-EDDnp as substrate after 20 to 40 mins by fluorometry				Bioorg Med Chem Lett 25: 5190-3 (2015) Article DOI: 10.1016/j.bmcl.2015.09.071 BindingDB Entry DOI: 10.7270/Q2FN182S
					More data for this Ligand-Target Pair
Aminopeptidase N (Homo sapiens (Human))	BDBM50131500 (CHEMBL3633451) Show SMILES N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C29H47N11O9/c30-17(10-11-22(31)42)23(43)37-18(8-4-13-36-29(34)49)24(44)39-20(14-16-6-2-1-3-7-16)25(45)40-21(15-41)26(46)38-19(27(47)48)9-5-12-35-28(32)33/h1-3,6-7,17-21,41H,4-5,8-15,30H2,(H2,31,42)(H,37,43)(H,38,46)(H,39,44)(H,40,45)(H,47,48)(H4,32,33,35)(H3,34,36,49)/t17-,18-,19-,20-,21-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Advanced Chemistry of Catalonia (IQAC-CSIC) Curated by ChEMBL					Assay Description Inhibition of human recombinant aminopeptidase N using AbzdR-G-L-EDDnp as substrate after 20 to 40 mins by fluorometry				Bioorg Med Chem Lett 25: 5190-3 (2015) Article DOI: 10.1016/j.bmcl.2015.09.071 BindingDB Entry DOI: 10.7270/Q2FN182S
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50298565 (2-(Acetylamino)-6-chloro-7-(benzyl{6-azido-3,4-di-...) Show SMILES CC(=O)Nc1nc(Cl)c2n(cnc2n1)[C@@H]1O[C@@H]([C@H](N=[N+]=[N-])C(=O)OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@]2(OCc3ccccc3)[C@H](CO[C@@H]12)OCc1ccccc1 |r| Show InChI InChI=1S/C44H41ClN8O8/c1-28(54)48-43-49-39(45)35-40(50-43)47-27-53(35)41-38-44(60-25-32-20-12-5-13-21-32,33(26-58-38)56-22-29-14-6-2-7-15-29)37(57-23-30-16-8-3-9-17-30)36(61-41)34(51-52-46)42(55)59-24-31-18-10-4-11-19-31/h2-21,27,33-34,36-38,41H,22-26H2,1H3,(H,48,49,50,54)/t33-,34-,36-,37+,38-,41+,44-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Faculdade de Ci£ncias da Universidade de Lisboa Curated by ChEMBL					Assay Description Inhibition of BChE in human serum assessed as hydrolysis of butyrylthiocholine by Ellman's method				Bioorg Med Chem 17: 5106-16 (2009) Article DOI: 10.1016/j.bmc.2009.05.057 BindingDB Entry DOI: 10.7270/Q2V40V8P
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM50382499 (CHEMBL2022225) Show SMILES [#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r| Show InChI InChI=1S/C29H48N12O8/c30-17(10-11-22(31)43)23(44)38-18(8-4-12-36-28(32)33)24(45)40-20(14-16-6-2-1-3-7-16)25(46)41-21(15-42)26(47)39-19(27(48)49)9-5-13-37-29(34)35/h1-3,6-7,17-21,42H,4-5,8-15,30H2,(H2,31,43)(H,38,44)(H,39,47)(H,40,45)(H,41,46)(H,48,49)(H4,32,33,36)(H4,34,35,37)/t17-,18-,19-,20-,21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Advanced Chemistry of Catalonia (IQAC-CSIC) Curated by ChEMBL					Assay Description Inhibition of human recombinant neutral endopeptidase using Ala-AMC as substrate after 20 to 40 mins by fluorometry				Bioorg Med Chem Lett 25: 5190-3 (2015) Article DOI: 10.1016/j.bmcl.2015.09.071 BindingDB Entry DOI: 10.7270/Q2FN182S
					More data for this Ligand-Target Pair
Aminopeptidase N (Homo sapiens (Human))	BDBM50382500 (CHEMBL2024270) Show SMILES [#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(cc1)-[#6](=O)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r| Show InChI InChI=1S/C36H52N12O9/c37-23(14-15-28(38)50)30(52)45-24(8-4-16-43-35(39)40)31(53)47-26(18-20-10-12-22(13-11-20)29(51)21-6-2-1-3-7-21)32(54)48-27(19-49)33(55)46-25(34(56)57)9-5-17-44-36(41)42/h1-3,6-7,10-13,23-27,49H,4-5,8-9,14-19,37H2,(H2,38,50)(H,45,52)(H,46,55)(H,47,53)(H,48,54)(H,56,57)(H4,39,40,43)(H4,41,42,44)/t23-,24-,25-,26-,27-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Advanced Chemistry of Catalonia (IQAC-CSIC) Curated by ChEMBL					Assay Description Inhibition of human recombinant AP-N ectopeptidase activity using alanine-MCA as substrate preincubated for 10 mins with substrate by fluorimetric an...				J Med Chem 55: 1181-8 (2012) Article DOI: 10.1021/jm2012112 BindingDB Entry DOI: 10.7270/Q2NC627J
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM50382505 (CHEMBL2022232) Show SMILES [#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1Br)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r| Show InChI InChI=1S/C29H47BrN12O8/c30-16-6-2-1-5-15(16)13-20(25(47)42-21(14-43)26(48)40-19(27(49)50)8-4-12-38-29(35)36)41-24(46)18(7-3-11-37-28(33)34)39-23(45)17(31)9-10-22(32)44/h1-2,5-6,17-21,43H,3-4,7-14,31H2,(H2,32,44)(H,39,45)(H,40,48)(H,41,46)(H,42,47)(H,49,50)(H4,33,34,37)(H4,35,36,38)/t17-,18-,19-,20-,21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Advanced Chemistry of Catalonia (IQAC-CSIC) Curated by ChEMBL					Assay Description Inhibition of human recombinant NEP ectopeptidase activity using Abz-dRGL-(EDDnp) as substrate preincubated for 10 mins with substrate by fluorimetri...				J Med Chem 55: 1181-8 (2012) Article DOI: 10.1021/jm2012112 BindingDB Entry DOI: 10.7270/Q2NC627J
					More data for this Ligand-Target Pair
Aminopeptidase N (Homo sapiens (Human))	BDBM50382510 (CHEMBL2022236) Show SMILES [#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(I)cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r| Show InChI InChI=1S/C29H47IN12O8/c30-16-7-5-15(6-8-16)13-20(25(47)42-21(14-43)26(48)40-19(27(49)50)4-2-12-38-29(35)36)41-24(46)18(3-1-11-37-28(33)34)39-23(45)17(31)9-10-22(32)44/h5-8,17-21,43H,1-4,9-14,31H2,(H2,32,44)(H,39,45)(H,40,48)(H,41,46)(H,42,47)(H,49,50)(H4,33,34,37)(H4,35,36,38)/t17-,18-,19-,20-,21-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Advanced Chemistry of Catalonia (IQAC-CSIC) Curated by ChEMBL					Assay Description Inhibition of human recombinant AP-N ectopeptidase activity using alanine-MCA as substrate preincubated for 10 mins with substrate by fluorimetric an...				J Med Chem 55: 1181-8 (2012) Article DOI: 10.1021/jm2012112 BindingDB Entry DOI: 10.7270/Q2NC627J
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM50382499 (CHEMBL2022225) Show SMILES [#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r| Show InChI InChI=1S/C29H48N12O8/c30-17(10-11-22(31)43)23(44)38-18(8-4-12-36-28(32)33)24(45)40-20(14-16-6-2-1-3-7-16)25(46)41-21(15-42)26(47)39-19(27(48)49)9-5-13-37-29(34)35/h1-3,6-7,17-21,42H,4-5,8-15,30H2,(H2,31,43)(H,38,44)(H,39,47)(H,40,45)(H,41,46)(H,48,49)(H4,32,33,36)(H4,34,35,37)/t17-,18-,19-,20-,21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Advanced Chemistry of Catalonia (IQAC-CSIC) Curated by ChEMBL					Assay Description Inhibition of human recombinant NEP ectopeptidase activity using Abz-dRGL-(EDDnp) as substrate preincubated for 10 mins with substrate by fluorimetri...				J Med Chem 55: 1181-8 (2012) Article DOI: 10.1021/jm2012112 BindingDB Entry DOI: 10.7270/Q2NC627J
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 106 total )  |  Next  |  Last  >>

Jump to: