Compile Data Set for Download or QSAR

Found 163 hits with Last Name = 'lam' and Initial = 'al'   

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))	BDBM50149381 (1-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-p...) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C25H32N4O4/c1-15-11-18(30)12-16(2)19(15)14-20(26)25(33)29-10-6-9-22(29)24(32)28-21(23(27)31)13-17-7-4-3-5-8-17/h3-5,7-8,11-12,20-22,30H,6,9-10,13-14,26H2,1-2H3,(H2,27,31)(H,28,32)/t20-,21-,22-/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	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing Medical University Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor (unknown origin)				Bioorg Med Chem 22: 2208-19 (2014) Article DOI: 10.1016/j.bmc.2014.02.015 BindingDB Entry DOI: 10.7270/Q29Z96DB
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50009271 (CHEMBL3233014) Show SMILES Cc1cc(C)c(C[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C(N)=O)c(C)c1 |r| Show InChI InChI=1S/C28H38N4O4/c1-15-9-16(2)22(17(3)10-15)14-24(26(30)34)31-27(35)25-7-6-8-32(25)28(36)23(29)13-21-18(4)11-20(33)12-19(21)5/h9-12,23-25,33H,6-8,13-14,29H2,1-5H3,(H2,30,34)(H,31,35)/t23-,24-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing Medical University Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membranes				Bioorg Med Chem 22: 2208-19 (2014) Article DOI: 10.1016/j.bmc.2014.02.015 BindingDB Entry DOI: 10.7270/Q29Z96DB
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50009272 (CHEMBL3233200) Show SMILES Cc1cccc(C)c1C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(N)=O |r| Show InChI InChI=1S/C27H36N4O4/c1-15-7-5-8-16(2)21(15)14-23(25(29)33)30-26(34)24-9-6-10-31(24)27(35)22(28)13-20-17(3)11-19(32)12-18(20)4/h5,7-8,11-12,22-24,32H,6,9-10,13-14,28H2,1-4H3,(H2,29,33)(H,30,34)/t22-,23-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing Medical University Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membranes				Bioorg Med Chem 22: 2208-19 (2014) Article DOI: 10.1016/j.bmc.2014.02.015 BindingDB Entry DOI: 10.7270/Q29Z96DB
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50009268 (CHEMBL3233197) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r| Show InChI InChI=1S/C27H33N5O4/c1-15-10-18(33)11-16(2)20(15)13-21(28)27(36)32-9-5-8-24(32)26(35)31-23(25(29)34)12-17-14-30-22-7-4-3-6-19(17)22/h3-4,6-7,10-11,14,21,23-24,30,33H,5,8-9,12-13,28H2,1-2H3,(H2,29,34)(H,31,35)/t21-,23-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing Medical University Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membranes				Bioorg Med Chem 22: 2208-19 (2014) Article DOI: 10.1016/j.bmc.2014.02.015 BindingDB Entry DOI: 10.7270/Q29Z96DB
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50009251 (CHEMBL3233191) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cccc2ccccc12)C(N)=O |r| Show InChI InChI=1S/C38H43N5O5/c1-23-18-28(44)19-24(2)30(23)22-31(39)38(48)43-17-9-16-34(43)37(47)42-33(20-25-10-4-3-5-11-25)36(46)41-32(35(40)45)21-27-14-8-13-26-12-6-7-15-29(26)27/h3-8,10-15,18-19,31-34,44H,9,16-17,20-22,39H2,1-2H3,(H2,40,45)(H,41,46)(H,42,47)/t31-,32-,33-,34-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing Medical University Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membranes				Bioorg Med Chem 22: 2208-19 (2014) Article DOI: 10.1016/j.bmc.2014.02.015 BindingDB Entry DOI: 10.7270/Q29Z96DB
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50009266 (CHEMBL3233195) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c(C)cc(O)cc1C)C(N)=O |r| Show InChI InChI=1S/C36H45N5O6/c1-20-13-25(42)14-21(2)27(20)18-29(37)36(47)41-12-8-11-32(41)35(46)40-31(17-24-9-6-5-7-10-24)34(45)39-30(33(38)44)19-28-22(3)15-26(43)16-23(28)4/h5-7,9-10,13-16,29-32,42-43H,8,11-12,17-19,37H2,1-4H3,(H2,38,44)(H,39,45)(H,40,46)/t29-,30-,31-,32-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing Medical University Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membranes				Bioorg Med Chem 22: 2208-19 (2014) Article DOI: 10.1016/j.bmc.2014.02.015 BindingDB Entry DOI: 10.7270/Q29Z96DB
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50009265 (CHEMBL3233194) Show SMILES Cc1cccc(C)c1C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(N)=O |r| Show InChI InChI=1S/C36H45N5O5/c1-21-10-8-11-22(2)28(21)20-30(33(38)43)39-34(44)31(18-25-12-6-5-7-13-25)40-35(45)32-14-9-15-41(32)36(46)29(37)19-27-23(3)16-26(42)17-24(27)4/h5-8,10-13,16-17,29-32,42H,9,14-15,18-20,37H2,1-4H3,(H2,38,43)(H,39,44)(H,40,45)/t29-,30-,31-,32-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing Medical University Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membranes				Bioorg Med Chem 22: 2208-19 (2014) Article DOI: 10.1016/j.bmc.2014.02.015 BindingDB Entry DOI: 10.7270/Q29Z96DB
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50166065 ((S)-1-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-pheny...) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O Show InChI InChI=1S/C36H42N6O5/c1-21-15-25(43)16-22(2)27(21)19-28(37)36(47)42-14-8-13-32(42)35(46)41-31(17-23-9-4-3-5-10-23)34(45)40-30(33(38)44)18-24-20-39-29-12-7-6-11-26(24)29/h3-7,9-12,15-16,20,28,30-32,39,43H,8,13-14,17-19,37H2,1-2H3,(H2,38,44)(H,40,45)(H,41,46)/t28-,30-,31-,32-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing Medical University Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membranes				Bioorg Med Chem 22: 2208-19 (2014) Article DOI: 10.1016/j.bmc.2014.02.015 BindingDB Entry DOI: 10.7270/Q29Z96DB
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50009264 (CHEMBL3233193) Show SMILES Cc1cc(C)c(C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C(N)=O)c(C)c1 |r| Show InChI InChI=1S/C37H47N5O5/c1-21-14-22(2)29(23(3)15-21)20-31(34(39)44)40-35(45)32(18-26-10-7-6-8-11-26)41-36(46)33-12-9-13-42(33)37(47)30(38)19-28-24(4)16-27(43)17-25(28)5/h6-8,10-11,14-17,30-33,43H,9,12-13,18-20,38H2,1-5H3,(H2,39,44)(H,40,45)(H,41,46)/t30-,31-,32-,33-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing Medical University Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membranes				Bioorg Med Chem 22: 2208-19 (2014) Article DOI: 10.1016/j.bmc.2014.02.015 BindingDB Entry DOI: 10.7270/Q29Z96DB
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50009267 (CHEMBL3233196) Show SMILES Cc1cc(C)c(C[C@H](NC(=O)[C@H](Cc2c(C)cc(C)cc2C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C(N)=O)c(C)c1 |r| Show InChI InChI=1S/C40H53N5O5/c1-21-12-23(3)31(24(4)13-21)19-34(37(42)47)43-38(48)35(20-32-25(5)14-22(2)15-26(32)6)44-39(49)36-10-9-11-45(36)40(50)33(41)18-30-27(7)16-29(46)17-28(30)8/h12-17,33-36,46H,9-11,18-20,41H2,1-8H3,(H2,42,47)(H,43,48)(H,44,49)/t33-,34-,35-,36-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing Medical University Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membranes				Bioorg Med Chem 22: 2208-19 (2014) Article DOI: 10.1016/j.bmc.2014.02.015 BindingDB Entry DOI: 10.7270/Q29Z96DB
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50149255 (3-((R)-2-Cyclopentyl-2-dimethylamino-ethyl)-1-(2,6...) Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@@H](C2CCCC2)N(C)C)c1=O |wU:26.34,(6.63,1.74,;5.3,.97,;5.3,-.57,;6.65,-1.34,;6.63,-2.89,;5.3,-3.65,;3.97,-2.88,;3.97,-1.34,;2.64,-.57,;2.64,-3.64,;2.64,-5.16,;3.97,-5.93,;1.29,-5.96,;1.29,-7.5,;2.62,-8.26,;2.62,-9.81,;1.29,-10.58,;3.95,-10.58,;5.3,-9.81,;5.3,-8.26,;3.95,-7.47,;5.05,-6.39,;-.04,-5.18,;-.05,-6.68,;-.04,-3.62,;-1.37,-2.85,;-2.7,-3.62,;-2.7,-5.16,;-3.96,-6.07,;-3.48,-7.54,;-1.94,-7.54,;-1.46,-6.07,;-4.03,-2.85,;-5.36,-3.62,;-4.03,-1.31,;1.31,-2.85,;1.31,-1.31,)| Show InChI InChI=1S/C28H32F3N3O3/c1-17-25(19-11-7-14-24(37-4)26(19)31)27(35)34(16-23(32(2)3)18-9-5-6-10-18)28(36)33(17)15-20-21(29)12-8-13-22(20)30/h7-8,11-14,18,23H,5-6,9-10,15-16H2,1-4H3/t23-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Inc. Curated by ChEMBL					Assay Description Binding affinity towards human gonadotropin releasing hormone receptor using des-Gly10[125I-Tyr5,D-Leu6,NMeLeu7,Pro9-NEt]GnRH as radioligand expresse...				J Med Chem 47: 3483-6 (2004) Article DOI: 10.1021/jm049791w BindingDB Entry DOI: 10.7270/Q2HT2NTX
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50009269 (CHEMBL3233198) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cccc2ccccc12)C(N)=O |r| Show InChI InChI=1S/C29H34N4O4/c1-17-13-21(34)14-18(2)23(17)16-24(30)29(37)33-12-6-11-26(33)28(36)32-25(27(31)35)15-20-9-5-8-19-7-3-4-10-22(19)20/h3-5,7-10,13-14,24-26,34H,6,11-12,15-16,30H2,1-2H3,(H2,31,35)(H,32,36)/t24-,25-,26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing Medical University Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membranes				Bioorg Med Chem 22: 2208-19 (2014) Article DOI: 10.1016/j.bmc.2014.02.015 BindingDB Entry DOI: 10.7270/Q29Z96DB
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50009254 (CHEMBL3233192) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(N)=O |r| Show InChI InChI=1S/C38H43N5O5/c1-23-17-29(44)18-24(2)30(23)22-31(39)38(48)43-16-8-13-34(43)37(47)42-33(20-25-9-4-3-5-10-25)36(46)41-32(35(40)45)21-26-14-15-27-11-6-7-12-28(27)19-26/h3-7,9-12,14-15,17-19,31-34,44H,8,13,16,20-22,39H2,1-2H3,(H2,40,45)(H,41,46)(H,42,47)/t31-,32-,33-,34-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.810	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing Medical University Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membranes				Bioorg Med Chem 22: 2208-19 (2014) Article DOI: 10.1016/j.bmc.2014.02.015 BindingDB Entry DOI: 10.7270/Q29Z96DB
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50149263 (1-(2,6-Difluoro-benzyl)-5-(2-fluoro-3-methoxy-phen...) Show SMILES CN[C@H](CC(C)C)Cn1c(=O)c(c(C)n(Cc2c(F)cccc2F)c1=O)-c1cccc(OC)c1F |wU:2.1,(3.53,-4.51,;4.86,-3.74,;6.19,-4.51,;6.19,-6.05,;4.86,-6.82,;3.53,-6.05,;4.85,-8.36,;7.54,-3.76,;8.87,-4.53,;10.2,-3.76,;10.2,-2.22,;11.53,-4.53,;11.53,-6.07,;12.86,-6.84,;10.2,-6.84,;10.2,-8.38,;11.53,-9.15,;12.86,-8.38,;13.94,-7.29,;14.19,-9.15,;14.19,-10.69,;12.86,-11.46,;11.53,-10.69,;10.18,-11.46,;8.87,-6.07,;7.52,-6.84,;12.86,-3.76,;14.19,-4.55,;15.54,-3.79,;15.55,-2.24,;14.19,-1.47,;14.19,.07,;15.54,.84,;12.86,-2.24,;11.53,-1.45,)| Show InChI InChI=1S/C26H30F3N3O3/c1-15(2)12-17(30-4)13-32-25(33)23(18-8-6-11-22(35-5)24(18)29)16(3)31(26(32)34)14-19-20(27)9-7-10-21(19)28/h6-11,15,17,30H,12-14H2,1-5H3/t17-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Inc. Curated by ChEMBL					Assay Description Binding affinity towards human gonadotropin releasing hormone receptor using des-Gly10[125I-Tyr5,D-Leu6,NMeLeu7,Pro9-NEt]GnRH as radioligand expresse...				J Med Chem 47: 3483-6 (2004) Article DOI: 10.1021/jm049791w BindingDB Entry DOI: 10.7270/Q2HT2NTX
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50139013 ((S)-1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C32H37N5O5/c33-25(18-23-13-15-24(38)16-14-23)32(42)37-17-7-12-28(37)31(41)36-27(20-22-10-5-2-6-11-22)30(40)35-26(29(34)39)19-21-8-3-1-4-9-21/h1-6,8-11,13-16,25-28,38H,7,12,17-20,33H2,(H2,34,39)(H,35,40)(H,36,41)/t25-,26-,27-,28-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing Medical University Curated by ChEMBL					Assay Description Binding affinity to mu opioid receptor (unknown origin)				Bioorg Med Chem 22: 2208-19 (2014) Article DOI: 10.1016/j.bmc.2014.02.015 BindingDB Entry DOI: 10.7270/Q29Z96DB
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50009267 (CHEMBL3233196) Show SMILES Cc1cc(C)c(C[C@H](NC(=O)[C@H](Cc2c(C)cc(C)cc2C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C(N)=O)c(C)c1 |r| Show InChI InChI=1S/C40H53N5O5/c1-21-12-23(3)31(24(4)13-21)19-34(37(42)47)43-38(48)35(20-32-25(5)14-22(2)15-26(32)6)44-39(49)36-10-9-11-45(36)40(50)33(41)18-30-27(7)16-29(46)17-28(30)8/h12-17,33-36,46H,9-11,18-20,41H2,1-8H3,(H2,42,47)(H,43,48)(H,44,49)/t33-,34-,35-,36-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL 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
Nanjing Medical University Curated by ChEMBL					Assay Description Displacement of [3H]deltorphin-2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membranes				Bioorg Med Chem 22: 2208-19 (2014) Article DOI: 10.1016/j.bmc.2014.02.015 BindingDB Entry DOI: 10.7270/Q29Z96DB
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50149259 (3-((S)-2-Cyclopentyl-2-dimethylamino-ethyl)-1-(2,6...) Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H](C2CCCC2)N(C)C)c1=O |wD:26.34,(26.87,2.44,;25.54,1.67,;25.54,.13,;26.88,-.64,;26.87,-2.19,;25.54,-2.95,;24.21,-2.18,;24.21,-.64,;22.88,.13,;22.87,-2.94,;22.87,-4.47,;24.2,-5.24,;21.52,-5.26,;21.52,-6.8,;22.85,-7.56,;22.85,-9.11,;21.52,-9.88,;24.18,-9.88,;25.53,-9.11,;25.53,-7.56,;24.18,-6.79,;25.28,-5.69,;20.19,-4.48,;20.17,-5.94,;20.19,-2.92,;18.86,-2.15,;17.53,-2.92,;17.53,-4.47,;16.29,-5.37,;16.76,-6.84,;18.3,-6.84,;18.77,-5.38,;16.2,-2.15,;14.87,-2.92,;16.2,-.61,;21.54,-2.15,;21.55,-.61,)| Show InChI InChI=1S/C28H32F3N3O3/c1-17-25(19-11-7-14-24(37-4)26(19)31)27(35)34(16-23(32(2)3)18-9-5-6-10-18)28(36)33(17)15-20-21(29)12-8-13-22(20)30/h7-8,11-14,18,23H,5-6,9-10,15-16H2,1-4H3/t23-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Inc. Curated by ChEMBL					Assay Description Binding affinity towards human gonadotropin releasing hormone receptor using des-Gly10[125I-Tyr5,D-Leu6,NMeLeu7,Pro9-NEt]GnRH as radioligand expresse...				J Med Chem 47: 3483-6 (2004) Article DOI: 10.1021/jm049791w BindingDB Entry DOI: 10.7270/Q2HT2NTX
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM21025 ((2R)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydro...) Show SMILES CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C29H39N5O7/c1-17(2)13-24(29(40)41)34-28(39)23(15-19-7-5-4-6-8-19)33-25(36)16-31-26(37)18(3)32-27(38)22(30)14-20-9-11-21(35)12-10-20/h4-12,17-18,22-24,35H,13-16,30H2,1-3H3,(H,31,37)(H,32,38)(H,33,36)(H,34,39)(H,40,41)/t18-,22+,23+,24-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing Medical University Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in guinea pig brain membranes after 1 hr				Bioorg Med Chem 22: 2208-19 (2014) Article DOI: 10.1016/j.bmc.2014.02.015 BindingDB Entry DOI: 10.7270/Q29Z96DB
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50149262 (3-((R)-2-Cyclohexyl-2-dimethylamino-ethyl)-1-(2,6-...) Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@@H](C2CCCCC2)N(C)C)c1=O |wU:26.35,(6.63,1.74,;5.3,.97,;5.3,-.57,;6.65,-1.34,;6.63,-2.89,;5.3,-3.65,;3.97,-2.88,;3.97,-1.34,;2.64,-.57,;2.64,-3.64,;2.64,-5.16,;3.97,-5.93,;1.29,-5.96,;1.29,-7.5,;2.62,-8.26,;2.62,-9.81,;1.29,-10.58,;3.95,-10.58,;5.3,-9.81,;5.3,-8.26,;3.95,-7.47,;5.05,-6.39,;-.04,-5.18,;-.05,-6.68,;-.04,-3.62,;-1.37,-2.85,;-2.7,-3.62,;-2.7,-5.16,;-1.37,-5.93,;-1.38,-7.47,;-2.72,-8.24,;-4.05,-7.47,;-4.03,-5.93,;-4.03,-2.85,;-5.36,-3.62,;-4.03,-1.31,;1.31,-2.85,;1.31,-1.31,)| Show InChI InChI=1S/C29H34F3N3O3/c1-18-26(20-12-8-15-25(38-4)27(20)32)28(36)35(17-24(33(2)3)19-10-6-5-7-11-19)29(37)34(18)16-21-22(30)13-9-14-23(21)31/h8-9,12-15,19,24H,5-7,10-11,16-17H2,1-4H3/t24-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Inc. Curated by ChEMBL					Assay Description Binding affinity towards human gonadotropin releasing hormone receptor using des-Gly10[125I-Tyr5,D-Leu6,NMeLeu7,Pro9-NEt]GnRH as radioligand expresse...				J Med Chem 47: 3483-6 (2004) Article DOI: 10.1021/jm049791w BindingDB Entry DOI: 10.7270/Q2HT2NTX
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50140103 ((S)-1-(2,6-difluorobenzyl)-3-(2-(cyclopentylamino)...) Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H](C)NC2CCCC2)c1=O |wU:26.28,(10.27,.16,;8.93,-.64,;8.94,-2.2,;10.29,-2.96,;10.31,-4.5,;8.98,-5.28,;7.64,-4.51,;7.63,-2.97,;6.5,-1.86,;6.31,-5.29,;6.33,-6.83,;7.66,-7.59,;5,-7.61,;5,-9.15,;3.66,-9.93,;3.68,-11.45,;4.75,-12.54,;2.35,-12.23,;1,-11.47,;1,-9.93,;2.33,-9.15,;1.23,-8.05,;3.66,-6.85,;2.33,-7.61,;3.66,-5.31,;2.32,-4.53,;2.32,-2.97,;3.67,-2.19,;.96,-2.2,;.96,-.64,;-.3,.28,;.17,1.77,;1.74,1.77,;2.23,.28,;4.98,-4.53,;4.96,-2.99,)| Show InChI InChI=1S/C27H30F3N3O3/c1-16(31-18-8-4-5-9-18)14-33-26(34)24(19-10-6-13-23(36-3)25(19)30)17(2)32(27(33)35)15-20-21(28)11-7-12-22(20)29/h6-7,10-13,16,18,31H,4-5,8-9,14-15H2,1-3H3/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Inc. Curated by ChEMBL					Assay Description Binding affinity towards human gonadotropin releasing hormone receptor using des-Gly10[125I-Tyr5,D-Leu6,NMeLeu7,Pro9-NEt]GnRH as radioligand expresse...				J Med Chem 47: 3483-6 (2004) Article DOI: 10.1021/jm049791w BindingDB Entry DOI: 10.7270/Q2HT2NTX
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50149269 (3-((R)-2-Amino-4-methyl-pentyl)-1-(2,6-difluoro-be...) Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H](N)CC(C)C)c1=O |wU:26.28,(12.16,6.15,;10.83,5.38,;10.83,3.84,;12.18,3.07,;12.16,1.52,;10.83,.76,;9.5,1.53,;9.5,3.07,;8.17,3.84,;8.17,.77,;8.17,-.75,;9.5,-1.52,;6.82,-1.55,;6.82,-3.09,;8.15,-3.85,;9.48,-3.08,;10.58,-1.98,;10.83,-3.85,;10.83,-5.4,;9.48,-6.17,;8.15,-5.4,;6.82,-6.17,;5.49,-.77,;4.16,-1.52,;5.49,.79,;4.16,1.56,;2.83,.79,;1.5,1.56,;2.83,-.75,;1.49,-1.52,;.16,-.75,;1.48,-3.06,;6.84,1.56,;6.84,3.1,)| Show InChI InChI=1S/C25H28F3N3O3/c1-14(2)11-16(29)12-31-24(32)22(17-7-5-10-21(34-4)23(17)28)15(3)30(25(31)33)13-18-19(26)8-6-9-20(18)27/h5-10,14,16H,11-13,29H2,1-4H3/t16-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Inc. Curated by ChEMBL					Assay Description Binding affinity towards human gonadotropin releasing hormone receptor using des-Gly10[125I-Tyr5,D-Leu6,NMeLeu7,Pro9-NEt]GnRH as radioligand expresse...				J Med Chem 47: 3483-6 (2004) Article DOI: 10.1021/jm049791w BindingDB Entry DOI: 10.7270/Q2HT2NTX
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50149252 (3-((R)-2-Amino-2-cyclohexyl-ethyl)-1-(2,6-difluoro...) Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H](N)C2CCCCC2)c1=O |wU:26.28,(3.3,5.29,;1.97,4.52,;1.97,2.98,;3.31,2.21,;3.3,.65,;1.97,-.1,;.64,.67,;.64,2.21,;-.69,2.98,;-.7,-.09,;-.7,-1.62,;.63,-2.39,;-2.05,-2.41,;-2.05,-3.95,;-.72,-4.71,;-.72,-6.26,;-2.05,-7.03,;.61,-7.03,;1.96,-6.26,;1.96,-4.71,;.61,-3.94,;1.71,-2.85,;-3.38,-1.63,;-3.38,-3.13,;-3.38,-.08,;-4.71,.69,;-6.04,-.08,;-7.37,.69,;-6.04,-1.62,;-4.71,-2.39,;-4.73,-3.94,;-6.06,-4.7,;-7.39,-3.92,;-7.39,-2.39,;-2.03,.69,;-2.02,2.23,)| Show InChI InChI=1S/C27H30F3N3O3/c1-16-24(18-10-6-13-23(36-2)25(18)30)26(34)33(15-22(31)17-8-4-3-5-9-17)27(35)32(16)14-19-20(28)11-7-12-21(19)29/h6-7,10-13,17,22H,3-5,8-9,14-15,31H2,1-2H3/t22-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Inc. Curated by ChEMBL					Assay Description Binding affinity towards human gonadotropin releasing hormone receptor using des-Gly10[125I-Tyr5,D-Leu6,NMeLeu7,Pro9-NEt]GnRH as radioligand expresse...				J Med Chem 47: 3483-6 (2004) Article DOI: 10.1021/jm049791w BindingDB Entry DOI: 10.7270/Q2HT2NTX
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50149256 (1-(2,6-Difluoro-benzyl)-3-((S)-2-dimethylamino-3-p...) Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H](Cc2ccccc2)N(C)C)c1=O |wD:26.36,(12.82,6.04,;11.49,5.27,;11.49,3.73,;12.83,2.96,;12.82,1.42,;11.49,.65,;10.16,1.42,;10.16,2.96,;8.83,3.73,;8.82,.67,;8.82,-.87,;10.15,-1.64,;7.47,-1.66,;7.47,-3.2,;8.8,-3.95,;10.13,-3.18,;11.23,-2.08,;11.48,-3.95,;11.48,-5.51,;10.13,-6.28,;8.8,-5.51,;7.47,-6.28,;6.14,-.87,;4.81,-1.64,;6.14,.67,;4.81,1.44,;3.48,.68,;3.48,-.86,;2.15,-1.63,;.82,-.85,;-.51,-1.61,;-.53,-3.15,;.82,-3.93,;2.15,-3.16,;2.15,1.45,;.82,.69,;2.15,2.99,;7.49,1.44,;7.5,2.98,)| Show InChI InChI=1S/C30H30F3N3O3/c1-19-27(22-12-8-15-26(39-4)28(22)33)29(37)36(17-21(34(2)3)16-20-10-6-5-7-11-20)30(38)35(19)18-23-24(31)13-9-14-25(23)32/h5-15,21H,16-18H2,1-4H3/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Inc. Curated by ChEMBL					Assay Description Binding affinity towards human gonadotropin releasing hormone receptor using des-Gly10[125I-Tyr5,D-Leu6,NMeLeu7,Pro9-NEt]GnRH as radioligand expresse...				J Med Chem 47: 3483-6 (2004) Article DOI: 10.1021/jm049791w BindingDB Entry DOI: 10.7270/Q2HT2NTX
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50149254 ((S)-1-(2,6-difluorobenzyl)-5-(2-fluoro-3-methoxyph...) Show SMILES CN[C@@H](Cc1ccccc1)Cn1c(=O)c(c(C)n(Cc2c(F)cccc2F)c1=O)-c1cccc(OC)c1F |r,wU:2.1,(24.86,-2.08,;26.19,-1.31,;26.19,.23,;24.85,1,;24.85,2.54,;26.18,3.31,;26.18,4.85,;24.84,5.62,;23.5,4.83,;23.51,3.3,;27.52,1.01,;28.86,.24,;30.18,1.02,;30.18,2.56,;31.51,.24,;31.51,-1.3,;32.85,-2.07,;30.18,-2.06,;30.18,-3.6,;31.52,-4.37,;32.84,-3.6,;31.5,-2.83,;34.17,-4.36,;34.18,-5.91,;32.84,-6.68,;31.51,-5.91,;30.17,-6.68,;28.86,-1.3,;27.52,-2.07,;32.85,1.01,;34.17,.23,;35.51,.99,;35.52,2.53,;34.17,3.31,;34.17,4.85,;35.51,5.62,;32.84,2.54,;31.51,3.3,)| Show InChI InChI=1S/C29H28F3N3O3/c1-18-26(21-11-7-14-25(38-3)27(21)32)28(36)35(16-20(33-2)15-19-9-5-4-6-10-19)29(37)34(18)17-22-23(30)12-8-13-24(22)31/h4-14,20,33H,15-17H2,1-3H3/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Inc. Curated by ChEMBL					Assay Description Binding affinity towards human gonadotropin releasing hormone receptor using des-Gly10[125I-Tyr5,D-Leu6,NMeLeu7,Pro9-NEt]GnRH as radioligand expresse...				J Med Chem 47: 3483-6 (2004) Article DOI: 10.1021/jm049791w BindingDB Entry DOI: 10.7270/Q2HT2NTX
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50149258 (3-((R)-2-Amino-2-cyclopentyl-ethyl)-1-(2,6-difluor...) Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H](N)C2CCCC2)c1=O |wU:26.28,(3.3,5.29,;1.97,4.52,;1.97,2.98,;3.31,2.21,;3.3,.65,;1.97,-.1,;.64,.67,;.64,2.21,;-.69,2.98,;-.7,-.09,;-.7,-1.62,;.63,-2.39,;-2.05,-2.41,;-2.05,-3.95,;-.72,-4.71,;-.72,-6.26,;-2.05,-7.03,;.61,-7.03,;1.96,-6.26,;1.96,-4.71,;.61,-3.94,;1.71,-2.85,;-3.38,-1.63,;-3.38,-3.13,;-3.38,-.08,;-4.71,.69,;-6.04,-.08,;-7.37,.69,;-6.04,-1.62,;-4.8,-2.53,;-5.29,-3.99,;-6.83,-3.97,;-7.3,-2.52,;-2.03,.69,;-2.02,2.23,)| Show InChI InChI=1S/C26H28F3N3O3/c1-15-23(17-9-5-12-22(35-2)24(17)29)25(33)32(14-21(30)16-7-3-4-8-16)26(34)31(15)13-18-19(27)10-6-11-20(18)28/h5-6,9-12,16,21H,3-4,7-8,13-14,30H2,1-2H3/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Inc. Curated by ChEMBL					Assay Description Binding affinity towards human gonadotropin releasing hormone receptor using des-Gly10[125I-Tyr5,D-Leu6,NMeLeu7,Pro9-NEt]GnRH as radioligand expresse...				J Med Chem 47: 3483-6 (2004) Article DOI: 10.1021/jm049791w BindingDB Entry DOI: 10.7270/Q2HT2NTX
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50149251 (3-((R)-2-Cyclopentyl-2-isopropylamino-ethyl)-1-(2,...) Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H](NC(C)C)C2CCCC2)c1=O |wU:26.28,(6.63,1.74,;5.3,.97,;5.3,-.57,;6.65,-1.34,;6.63,-2.89,;5.3,-3.65,;3.97,-2.88,;3.97,-1.34,;2.64,-.57,;2.64,-3.64,;2.64,-5.16,;3.97,-5.93,;1.29,-5.96,;1.29,-7.5,;2.62,-8.26,;2.62,-9.81,;1.29,-10.58,;3.95,-10.58,;5.3,-9.81,;5.3,-8.26,;3.95,-7.47,;5.05,-6.39,;-.04,-5.18,;-.05,-6.68,;-.04,-3.62,;-1.37,-2.85,;-2.7,-3.62,;-4.03,-2.85,;-5.36,-3.62,;-6.7,-2.83,;-5.37,-5.16,;-2.7,-5.16,;-1.46,-6.07,;-1.94,-7.54,;-3.48,-7.54,;-3.96,-6.07,;1.31,-2.85,;1.31,-1.31,)| Show InChI InChI=1S/C29H34F3N3O3/c1-17(2)33-24(19-9-5-6-10-19)16-35-28(36)26(20-11-7-14-25(38-4)27(20)32)18(3)34(29(35)37)15-21-22(30)12-8-13-23(21)31/h7-8,11-14,17,19,24,33H,5-6,9-10,15-16H2,1-4H3/t24-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Inc. Curated by ChEMBL					Assay Description Binding affinity towards human gonadotropin releasing hormone receptor using des-Gly10[125I-Tyr5,D-Leu6,NMeLeu7,Pro9-NEt]GnRH as radioligand expresse...				J Med Chem 47: 3483-6 (2004) Article DOI: 10.1021/jm049791w BindingDB Entry DOI: 10.7270/Q2HT2NTX
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50149260 (1-(2,6-Difluoro-benzyl)-5-(2-fluoro-3-methoxy-phen...) Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@@H](CC(C)C)NC(C)C)c1=O |wU:26.32,(9.92,5.69,;8.59,4.94,;8.59,3.38,;9.94,2.61,;9.92,1.07,;8.59,.3,;7.26,1.09,;7.26,2.61,;5.93,3.4,;5.93,.32,;5.93,-1.21,;7.26,-1.98,;4.58,-1.99,;4.58,-3.53,;5.91,-4.3,;7.24,-3.53,;8.34,-2.43,;8.59,-4.3,;8.59,-5.84,;7.24,-6.61,;5.91,-5.84,;4.58,-6.61,;3.25,-1.22,;1.92,-1.98,;3.25,.33,;1.92,1.1,;.59,.34,;.59,-1.2,;-.75,-1.97,;-2.08,-1.2,;-.76,-3.51,;-.74,1.11,;-2.07,.34,;-3.56,.76,;-2.85,-.99,;4.6,1.1,;4.6,2.64,)| Show InChI InChI=1S/C28H34F3N3O3/c1-16(2)13-19(32-17(3)4)14-34-27(35)25(20-9-7-12-24(37-6)26(20)31)18(5)33(28(34)36)15-21-22(29)10-8-11-23(21)30/h7-12,16-17,19,32H,13-15H2,1-6H3/t19-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Inc. Curated by ChEMBL					Assay Description Binding affinity towards human gonadotropin releasing hormone receptor using des-Gly10[125I-Tyr5,D-Leu6,NMeLeu7,Pro9-NEt]GnRH as radioligand expresse...				J Med Chem 47: 3483-6 (2004) Article DOI: 10.1021/jm049791w BindingDB Entry DOI: 10.7270/Q2HT2NTX
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50009271 (CHEMBL3233014) Show SMILES Cc1cc(C)c(C[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C(N)=O)c(C)c1 |r| Show InChI InChI=1S/C28H38N4O4/c1-15-9-16(2)22(17(3)10-15)14-24(26(30)34)31-27(35)25-7-6-8-32(25)28(36)23(29)13-21-18(4)11-20(33)12-19(21)5/h9-12,23-25,33H,6-8,13-14,29H2,1-5H3,(H2,30,34)(H,31,35)/t23-,24-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing Medical University Curated by ChEMBL					Assay Description Displacement of [3H]deltorphin-2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membranes				Bioorg Med Chem 22: 2208-19 (2014) Article DOI: 10.1016/j.bmc.2014.02.015 BindingDB Entry DOI: 10.7270/Q29Z96DB
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50149261 (3-((S)-2-Amino-3-phenyl-propyl)-1-(2,6-difluoro-be...) Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@@H](N)Cc2ccccc2)c1=O |wD:26.28,(15.8,4.99,;14.47,4.22,;14.47,2.68,;15.8,1.91,;15.8,.35,;14.47,-.4,;13.14,.37,;13.14,1.91,;11.81,2.68,;11.79,-.4,;11.79,-1.92,;13.12,-2.69,;10.46,-2.71,;10.46,-4.25,;11.79,-5.02,;11.79,-6.56,;10.45,-7.33,;13.12,-7.33,;14.45,-6.56,;14.45,-5.02,;13.12,-4.25,;14.21,-3.13,;9.13,-1.94,;7.79,-2.69,;9.13,-.38,;7.8,.39,;6.46,-.38,;5.13,.39,;6.46,-1.92,;5.12,-2.69,;3.79,-1.9,;2.46,-2.67,;2.46,-4.21,;3.79,-4.98,;5.12,-4.21,;10.46,.39,;10.48,1.93,)| Show InChI InChI=1S/C28H26F3N3O3/c1-17-25(20-10-6-13-24(37-2)26(20)31)27(35)34(15-19(32)14-18-8-4-3-5-9-18)28(36)33(17)16-21-22(29)11-7-12-23(21)30/h3-13,19H,14-16,32H2,1-2H3/t19-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Inc. Curated by ChEMBL					Assay Description Binding affinity towards human gonadotropin releasing hormone receptor using des-Gly10[125I-Tyr5,D-Leu6,NMeLeu7,Pro9-NEt]GnRH as radioligand expresse...				J Med Chem 47: 3483-6 (2004) Article DOI: 10.1021/jm049791w BindingDB Entry DOI: 10.7270/Q2HT2NTX
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50009270 (CHEMBL3233199) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(N)=O |r| Show InChI InChI=1S/C29H34N4O4/c1-17-12-22(34)13-18(2)23(17)16-24(30)29(37)33-11-5-8-26(33)28(36)32-25(27(31)35)15-19-9-10-20-6-3-4-7-21(20)14-19/h3-4,6-7,9-10,12-14,24-26,34H,5,8,11,15-16,30H2,1-2H3,(H2,31,35)(H,32,36)/t24-,25-,26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing Medical University Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membranes				Bioorg Med Chem 22: 2208-19 (2014) Article DOI: 10.1016/j.bmc.2014.02.015 BindingDB Entry DOI: 10.7270/Q29Z96DB
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50009254 (CHEMBL3233192) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(N)=O |r| Show InChI InChI=1S/C38H43N5O5/c1-23-17-29(44)18-24(2)30(23)22-31(39)38(48)43-16-8-13-34(43)37(47)42-33(20-25-9-4-3-5-10-25)36(46)41-32(35(40)45)21-26-14-15-27-11-6-7-12-28(27)19-26/h3-7,9-12,14-15,17-19,31-34,44H,8,13,16,20-22,39H2,1-2H3,(H2,40,45)(H,41,46)(H,42,47)/t31-,32-,33-,34-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing Medical University Curated by ChEMBL					Assay Description Displacement of [3H]deltorphin-2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membranes				Bioorg Med Chem 22: 2208-19 (2014) Article DOI: 10.1016/j.bmc.2014.02.015 BindingDB Entry DOI: 10.7270/Q29Z96DB
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50149250 (3-((R)-2-Cyclohexyl-2-isopropylamino-ethyl)-1-(2,6...) Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H](NC(C)C)C2CCCCC2)c1=O |wU:26.28,(6.63,1.74,;5.3,.97,;5.3,-.57,;6.65,-1.34,;6.63,-2.89,;5.3,-3.65,;3.97,-2.88,;3.97,-1.34,;2.64,-.57,;2.64,-3.64,;2.64,-5.16,;3.97,-5.93,;1.29,-5.96,;1.29,-7.5,;2.62,-8.26,;2.62,-9.81,;1.29,-10.58,;3.95,-10.58,;5.3,-9.81,;5.3,-8.26,;3.95,-7.47,;5.05,-6.39,;-.04,-5.18,;-.05,-6.68,;-.04,-3.62,;-1.37,-2.85,;-2.7,-3.62,;-4.03,-2.85,;-5.36,-3.62,;-6.7,-2.83,;-5.37,-5.16,;-2.7,-5.16,;-1.37,-5.93,;-1.38,-7.47,;-2.72,-8.24,;-4.05,-7.47,;-4.03,-5.93,;1.31,-2.85,;1.31,-1.31,)| Show InChI InChI=1S/C30H36F3N3O3/c1-18(2)34-25(20-10-6-5-7-11-20)17-36-29(37)27(21-12-8-15-26(39-4)28(21)33)19(3)35(30(36)38)16-22-23(31)13-9-14-24(22)32/h8-9,12-15,18,20,25,34H,5-7,10-11,16-17H2,1-4H3/t25-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Inc. Curated by ChEMBL					Assay Description Binding affinity towards human gonadotropin releasing hormone receptor using des-Gly10[125I-Tyr5,D-Leu6,NMeLeu7,Pro9-NEt]GnRH as radioligand expresse...				J Med Chem 47: 3483-6 (2004) Article DOI: 10.1021/jm049791w BindingDB Entry DOI: 10.7270/Q2HT2NTX
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50128007 (1-(2,6-difluoro-benzyl)-5-(2,3-dihydro-benzo[1,4]d...) Show SMILES CN(CCc1ccccn1)CCn1c(=O)c(c(C)n(Cc2c(F)cccc2F)c1=O)-c1ccc2OCCOc2c1 Show InChI InChI=1S/C30H30F2N4O4/c1-20-28(21-9-10-26-27(18-21)40-17-16-39-26)29(37)35(15-14-34(2)13-11-22-6-3-4-12-33-22)30(38)36(20)19-23-24(31)7-5-8-25(23)32/h3-10,12,18H,11,13-17,19H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Binding affinity was determined towards human gonadotropin-releasing hormone receptor				J Med Chem 46: 2023-6 (2003) Article DOI: 10.1021/jm034041s BindingDB Entry DOI: 10.7270/Q20864QQ
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50166065 ((S)-1-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-pheny...) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O Show InChI InChI=1S/C36H42N6O5/c1-21-15-25(43)16-22(2)27(21)19-28(37)36(47)42-14-8-13-32(42)35(46)41-31(17-23-9-4-3-5-10-23)34(45)40-30(33(38)44)18-24-20-39-29-12-7-6-11-26(24)29/h3-7,9-12,15-16,20,28,30-32,39,43H,8,13-14,17-19,37H2,1-2H3,(H2,38,44)(H,40,45)(H,41,46)/t28-,30-,31-,32-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing Medical University Curated by ChEMBL					Assay Description Displacement of [3H]deltorphin-2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membranes				Bioorg Med Chem 22: 2208-19 (2014) Article DOI: 10.1016/j.bmc.2014.02.015 BindingDB Entry DOI: 10.7270/Q29Z96DB
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50009264 (CHEMBL3233193) Show SMILES Cc1cc(C)c(C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C(N)=O)c(C)c1 |r| Show InChI InChI=1S/C37H47N5O5/c1-21-14-22(2)29(23(3)15-21)20-31(34(39)44)40-35(45)32(18-26-10-7-6-8-11-26)41-36(46)33-12-9-13-42(33)37(47)30(38)19-28-24(4)16-27(43)17-25(28)5/h6-8,10-11,14-17,30-33,43H,9,12-13,18-20,38H2,1-5H3,(H2,39,44)(H,40,45)(H,41,46)/t30-,31-,32-,33-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing Medical University Curated by ChEMBL					Assay Description Displacement of [3H]deltorphin-2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membranes				Bioorg Med Chem 22: 2208-19 (2014) Article DOI: 10.1016/j.bmc.2014.02.015 BindingDB Entry DOI: 10.7270/Q29Z96DB
					More data for this Ligand-Target Pair
3-dehydroquinate dehydratase (Mycobacterium tuberculosis)	BDBM50303445 (CHEMBL567563 | Sodium(1R,4S,5R)-1,4,5-Trihydroxy-3...) Show SMILES O[C@@H]1C[C@@](O)(C=C(OCc2cc3ccccc3s2)[C@H]1O)C([O-])=O |r,t:5| Show InChI InChI=1S/C16H16O6S/c17-11-6-16(21,15(19)20)7-12(14(11)18)22-8-10-5-9-3-1-2-4-13(9)23-10/h1-5,7,11,14,17-18,21H,6,8H2,(H,19,20)/p-1/t11-,14+,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Competitive inhibition of Mycobacterium tuberculosis DHQ2				J Med Chem 54: 6063-84 (2011) Article DOI: 10.1021/jm2006063 BindingDB Entry DOI: 10.7270/Q2XS5VSG
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50128019 (1-(2,6-Difluoro-benzyl)-6-methyl-3-{2-[methyl-(2-p...) Show SMILES CN(CCc1ccccn1)CCn1c(=O)c(c(C)n(Cc2c(F)cccc2F)c1=O)-c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C34H32F2N4O3/c1-24-32(25-14-16-28(17-15-25)43-27-10-4-3-5-11-27)33(41)39(22-21-38(2)20-18-26-9-6-7-19-37-26)34(42)40(24)23-29-30(35)12-8-13-31(29)36/h3-17,19H,18,20-23H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Binding affinity was determined towards human gonadotropin-releasing hormone receptor				J Med Chem 46: 2023-6 (2003) Article DOI: 10.1021/jm034041s BindingDB Entry DOI: 10.7270/Q20864QQ
					More data for this Ligand-Target Pair
3-dehydroquinate dehydratase (Mycobacterium tuberculosis)	BDBM50303446 (CHEMBL576247 | Sodium(1R,4S,5R)-1,4,5-Trihydroxy-3...) Show SMILES O[C@@H]1C[C@@](O)(C=C(OCc2ccc3sccc3c2)[C@H]1O)C([O-])=O |r,t:5| Show InChI InChI=1S/C16H16O6S/c17-11-6-16(21,15(19)20)7-12(14(11)18)22-8-9-1-2-13-10(5-9)3-4-23-13/h1-5,7,11,14,17-18,21H,6,8H2,(H,19,20)/p-1/t11-,14+,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Competitive inhibition of Mycobacterium tuberculosis DHQ2				J Med Chem 54: 6063-84 (2011) Article DOI: 10.1021/jm2006063 BindingDB Entry DOI: 10.7270/Q2XS5VSG
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50009272 (CHEMBL3233200) Show SMILES Cc1cccc(C)c1C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(N)=O |r| Show InChI InChI=1S/C27H36N4O4/c1-15-7-5-8-16(2)21(15)14-23(25(29)33)30-26(34)24-9-6-10-31(24)27(35)22(28)13-20-17(3)11-19(32)12-18(20)4/h5,7-8,11-12,22-24,32H,6,9-10,13-14,28H2,1-4H3,(H2,29,33)(H,30,34)/t22-,23-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing Medical University Curated by ChEMBL					Assay Description Displacement of [3H]deltorphin-2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membranes				Bioorg Med Chem 22: 2208-19 (2014) Article DOI: 10.1016/j.bmc.2014.02.015 BindingDB Entry DOI: 10.7270/Q29Z96DB
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50128013 (1-(2,6-Difluoro-benzyl)-5-(3-methoxy-phenyl)-6-met...) Show SMILES COc1cccc(c1)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(CCNCCc2ccccn2)c1=O Show InChI InChI=1S/C28H28F2N4O3/c1-19-26(20-7-5-9-22(17-20)37-2)27(35)33(16-15-31-14-12-21-8-3-4-13-32-21)28(36)34(19)18-23-24(29)10-6-11-25(23)30/h3-11,13,17,31H,12,14-16,18H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Binding affinity was determined towards human Gonadotropin-releasing hormone receptor				J Med Chem 46: 2023-6 (2003) Article DOI: 10.1021/jm034041s BindingDB Entry DOI: 10.7270/Q20864QQ
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50132728 (1-(2,6-Difluoro-benzyl)-5-(3-methoxy-phenyl)-6-met...) Show SMILES COc1cccc(c1)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(CCN(C)CCc2ccccn2)c1=O Show InChI InChI=1S/C29H30F2N4O3/c1-20-27(21-8-6-10-23(18-21)38-3)28(36)34(17-16-33(2)15-13-22-9-4-5-14-32-22)29(37)35(20)19-24-25(30)11-7-12-26(24)31/h4-12,14,18H,13,15-17,19H2,1-3H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Inc. Curated by ChEMBL					Assay Description Binding affinity towards human gonadotropin releasing hormone receptor using des-Gly10[125I-Tyr5,D-Leu6,NMeLeu7,Pro9-NEt]GnRH as radioligand expresse...				J Med Chem 47: 3483-6 (2004) Article DOI: 10.1021/jm049791w BindingDB Entry DOI: 10.7270/Q2HT2NTX
					More data for this Ligand-Target Pair
3-dehydroquinate dehydratase (Mycobacterium tuberculosis)	BDBM50352031 (CHEMBL1823560) Show SMILES O[C@@H]1C[C@@](O)(C=C(OCc2cc3ccc(Cl)cc3s2)[C@H]1O)C([O-])=O |r,t:5| Show InChI InChI=1S/C16H15ClO6S/c17-9-2-1-8-3-10(24-13(8)4-9)7-23-12-6-16(22,15(20)21)5-11(18)14(12)19/h1-4,6,11,14,18-19,22H,5,7H2,(H,20,21)/p-1/t11-,14+,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Competitive inhibition of Mycobacterium tuberculosis DHQ2				J Med Chem 54: 6063-84 (2011) Article DOI: 10.1021/jm2006063 BindingDB Entry DOI: 10.7270/Q2XS5VSG
					More data for this Ligand-Target Pair
3-dehydroquinate dehydratase (Mycobacterium tuberculosis)	BDBM50352032 (CHEMBL1823561) Show SMILES O[C@@H]1C[C@@](O)(C=C(OCc2ccc3ccccc3c2)[C@H]1O)C([O-])=O |r,t:5| Show InChI InChI=1S/C18H18O6/c19-14-8-18(23,17(21)22)9-15(16(14)20)24-10-11-5-6-12-3-1-2-4-13(12)7-11/h1-7,9,14,16,19-20,23H,8,10H2,(H,21,22)/p-1/t14-,16+,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Competitive inhibition of Mycobacterium tuberculosis DHQ2				J Med Chem 54: 6063-84 (2011) Article DOI: 10.1021/jm2006063 BindingDB Entry DOI: 10.7270/Q2XS5VSG
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50128012 (5-Benzo[1,3]dioxol-5-yl-1-(2,6-difluoro-benzyl)-6-...) Show SMILES CN(CCc1ccccn1)CCn1c(=O)c(c(C)n(Cc2c(F)cccc2F)c1=O)-c1ccc2OCOc2c1 Show InChI InChI=1S/C29H28F2N4O4/c1-19-27(20-9-10-25-26(16-20)39-18-38-25)28(36)34(15-14-33(2)13-11-21-6-3-4-12-32-21)29(37)35(19)17-22-23(30)7-5-8-24(22)31/h3-10,12,16H,11,13-15,17-18H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Binding affinity was determined towards human gonadotropin-releasing hormone receptor				J Med Chem 46: 2023-6 (2003) Article DOI: 10.1021/jm034041s BindingDB Entry DOI: 10.7270/Q20864QQ
					More data for this Ligand-Target Pair
3-dehydroquinate dehydratase (Mycobacterium tuberculosis)	BDBM50352030 (CHEMBL1823559) Show SMILES O[C@@H]1C[C@@](O)(C=C([C@H]1O)c1cn(nn1)-c1ccccc1)C(O)=O |r,c:5| Show InChI InChI=1S/C15H15N3O5/c19-12-7-15(23,14(21)22)6-10(13(12)20)11-8-18(17-16-11)9-4-2-1-3-5-9/h1-6,8,12-13,19-20,23H,7H2,(H,21,22)/t12-,13-,15+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Competitive inhibition of Mycobacterium tuberculosis DHQ2				J Med Chem 54: 6063-84 (2011) Article DOI: 10.1021/jm2006063 BindingDB Entry DOI: 10.7270/Q2XS5VSG
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50149268 (3-((S)-2-Amino-4-methyl-pentyl)-1-(2,6-difluoro-be...) Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@@H](N)CC(C)C)c1=O |wD:26.28,(12.09,5.83,;10.76,5.06,;10.76,3.54,;12.09,2.75,;12.09,1.21,;10.76,.44,;9.43,1.23,;9.43,2.75,;8.1,3.54,;8.08,.46,;8.08,-1.07,;9.41,-1.84,;6.75,-1.85,;6.75,-3.39,;8.08,-4.16,;9.41,-3.39,;10.5,-2.29,;10.74,-4.16,;10.74,-5.7,;9.41,-6.47,;8.08,-5.7,;6.74,-6.47,;5.42,-1.08,;4.08,-1.84,;5.42,.47,;4.09,1.24,;2.75,.48,;1.42,1.25,;2.75,-1.06,;1.41,-1.83,;.08,-1.06,;1.41,-3.37,;6.75,1.24,;6.77,2.78,)| Show InChI InChI=1S/C25H28F3N3O3/c1-14(2)11-16(29)12-31-24(32)22(17-7-5-10-21(34-4)23(17)28)15(3)30(25(31)33)13-18-19(26)8-6-9-20(18)27/h5-10,14,16H,11-13,29H2,1-4H3/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Inc. Curated by ChEMBL					Assay Description Binding affinity towards human gonadotropin releasing hormone receptor using des-Gly10[125I-Tyr5,D-Leu6,NMeLeu7,Pro9-NEt]GnRH as radioligand expresse...				J Med Chem 47: 3483-6 (2004) Article DOI: 10.1021/jm049791w BindingDB Entry DOI: 10.7270/Q2HT2NTX
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50009265 (CHEMBL3233194) Show SMILES Cc1cccc(C)c1C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(N)=O |r| Show InChI InChI=1S/C36H45N5O5/c1-21-10-8-11-22(2)28(21)20-30(33(38)43)39-34(44)31(18-25-12-6-5-7-13-25)40-35(45)32-14-9-15-41(32)36(46)29(37)19-27-23(3)16-26(42)17-24(27)4/h5-8,10-13,16-17,29-32,42H,9,14-15,18-20,37H2,1-4H3,(H2,38,43)(H,39,44)(H,40,45)/t29-,30-,31-,32-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing Medical University Curated by ChEMBL					Assay Description Displacement of [3H]deltorphin-2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membranes				Bioorg Med Chem 22: 2208-19 (2014) Article DOI: 10.1016/j.bmc.2014.02.015 BindingDB Entry DOI: 10.7270/Q29Z96DB
					More data for this Ligand-Target Pair
3-dehydroquinate dehydratase (Mycobacterium tuberculosis)	BDBM50352033 (CHEMBL1823562) Show SMILES O[C@@H]1C[C@](O)(C([O-])=O)C(Cc2cc3ccccc3s2)=C(OCc2cc3ccccc3s2)[C@H]1O |r,t:20| Show InChI InChI=1S/C25H22O6S2/c26-19-12-25(30,24(28)29)18(11-16-9-14-5-1-3-7-20(14)32-16)23(22(19)27)31-13-17-10-15-6-2-4-8-21(15)33-17/h1-10,19,22,26-27,30H,11-13H2,(H,28,29)/p-1/t19-,22+,25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Competitive inhibition of Mycobacterium tuberculosis DHQ2				J Med Chem 54: 6063-84 (2011) Article DOI: 10.1021/jm2006063 BindingDB Entry DOI: 10.7270/Q2XS5VSG
					More data for this Ligand-Target Pair
3-dehydroquinate dehydratase (Mycobacterium tuberculosis)	BDBM50303444 (CHEMBL567564 | Sodium(1R,4S,5R)-1,4,5-Trihydroxy-3...) Show SMILES Cc1ccc2sc(COC3=C[C@](O)(C[C@@H](O)[C@@H]3O)C([O-])=O)cc2c1 |r,t:9| Show InChI InChI=1S/C17H18O6S/c1-9-2-3-14-10(4-9)5-11(24-14)8-23-13-7-17(22,16(20)21)6-12(18)15(13)19/h2-5,7,12,15,18-19,22H,6,8H2,1H3,(H,20,21)/p-1/t12-,15+,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	42.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Competitive inhibition of Mycobacterium tuberculosis DHQ2				J Med Chem 54: 6063-84 (2011) Article DOI: 10.1021/jm2006063 BindingDB Entry DOI: 10.7270/Q2XS5VSG
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50162028 (3-((S)-2-Amino-2-cyclohexyl-ethyl)-1-(2,6-difluoro...) Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@@H](N)C2CCCCC2)c1=O |wU:26.28,(2.7,6.02,;4.03,5.25,;4.03,3.71,;5.39,2.94,;5.36,1.39,;4.03,.62,;2.7,1.39,;2.7,2.94,;1.36,3.71,;1.36,.62,;1.36,-.92,;2.7,-1.69,;.03,-1.67,;.03,-3.21,;1.36,-3.98,;2.7,-3.21,;1.36,-2.44,;4.03,-3.98,;4.03,-5.53,;2.7,-6.3,;1.36,-5.53,;.03,-6.3,;-1.3,-.92,;-2.63,-1.69,;-1.3,.62,;-2.63,1.39,;-3.97,.62,;-3.97,-.92,;-5.3,1.39,;-5.32,2.94,;-6.66,3.71,;-7.99,2.94,;-7.99,1.39,;-6.66,.62,;.03,1.42,;.03,2.96,)| Show InChI InChI=1S/C27H30F3N3O3/c1-16-24(18-10-6-13-23(36-2)25(18)30)26(34)33(15-22(31)17-8-4-3-5-9-17)27(35)32(16)14-19-20(28)11-7-12-21(19)29/h6-7,10-13,17,22H,3-5,8-9,14-15,31H2,1-2H3/t22-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Inc. Curated by ChEMBL					Assay Description Binding affinity towards human gonadotropin releasing hormone receptor using des-Gly10[125I-Tyr5,D-Leu6,NMeLeu7,Pro9-NEt]GnRH as radioligand expresse...				J Med Chem 47: 3483-6 (2004) Article DOI: 10.1021/jm049791w BindingDB Entry DOI: 10.7270/Q2HT2NTX
					More data for this Ligand-Target Pair

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