Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with all data for entry = 50000648   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50256911 (CHEMBL4095621) Show SMILES C[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(N)=N)C(=O)NCC(=O)N[C@@H](Cc1ccc(Cl)cc1)C(N)=O |r| Show InChI InChI=1S/C24H30ClN7O5/c1-13(30-23(37)19(32-24(27)28)11-15-4-8-17(33)9-5-15)22(36)29-12-20(34)31-18(21(26)35)10-14-2-6-16(25)7-3-14/h2-9,13,18-19,33H,10-12H2,1H3,(H2,26,35)(H,29,36)(H,30,37)(H,31,34)(H4,27,28,32)/t13-,18+,19+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Reproductive Medicine Special Hospital of the First Hospital of Lanzhou University, Key Laboratory for Reproductive Medicine and Embryo Gansu Province, China. Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu-opioid receptor in Wistar rat brain membrane after 1 hr by microbeta scintillation counting method				Bioorg Med Chem Lett 27: 2119-2123 (2017) Article DOI: 10.1016/j.bmcl.2017.03.067 BindingDB Entry DOI: 10.7270/Q2668GMF
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50256914 (CHEMBL4061665) Show SMILES C[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(N)=N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C24H31N7O5/c1-14(29-23(36)19(31-24(26)27)12-16-7-9-17(32)10-8-16)22(35)28-13-20(33)30-18(21(25)34)11-15-5-3-2-4-6-15/h2-10,14,18-19,32H,11-13H2,1H3,(H2,25,34)(H,28,35)(H,29,36)(H,30,33)(H4,26,27,31)/t14-,18+,19+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Reproductive Medicine Special Hospital of the First Hospital of Lanzhou University, Key Laboratory for Reproductive Medicine and Embryo Gansu Province, China. Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu-opioid receptor in Wistar rat brain membrane after 1 hr by microbeta scintillation counting method				Bioorg Med Chem Lett 27: 2119-2123 (2017) Article DOI: 10.1016/j.bmcl.2017.03.067 BindingDB Entry DOI: 10.7270/Q2668GMF
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50256915 (CHEMBL4068851) Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(Cl)cc1)C(N)=O |r| Show InChI InChI=1S/C23H28ClN5O5/c1-13(28-23(34)18(25)10-14-4-8-17(30)9-5-14)22(33)27-12-20(31)29-19(21(26)32)11-15-2-6-16(24)7-3-15/h2-9,13,18-19,30H,10-12,25H2,1H3,(H2,26,32)(H,27,33)(H,28,34)(H,29,31)/t13-,18+,19+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Reproductive Medicine Special Hospital of the First Hospital of Lanzhou University, Key Laboratory for Reproductive Medicine and Embryo Gansu Province, China. Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu-opioid receptor in Wistar rat brain membrane after 1 hr by microbeta scintillation counting method				Bioorg Med Chem Lett 27: 2119-2123 (2017) Article DOI: 10.1016/j.bmcl.2017.03.067 BindingDB Entry DOI: 10.7270/Q2668GMF
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM21123 ((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...) Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C23H29N5O5/c1-14(27-23(33)18(24)11-16-7-9-17(29)10-8-16)22(32)26-13-20(30)28-19(21(25)31)12-15-5-3-2-4-6-15/h2-10,14,18-19,29H,11-13,24H2,1H3,(H2,25,31)(H,26,32)(H,27,33)(H,28,30)/t14-,18+,19+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Reproductive Medicine Special Hospital of the First Hospital of Lanzhou University, Key Laboratory for Reproductive Medicine and Embryo Gansu Province, China. Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu-opioid receptor in Wistar rat brain membrane after 1 hr by microbeta scintillation counting method				Bioorg Med Chem Lett 27: 2119-2123 (2017) Article DOI: 10.1016/j.bmcl.2017.03.067 BindingDB Entry DOI: 10.7270/Q2668GMF
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50095155 ((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](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C34H38N6O5/c35-26(17-22-12-14-24(41)15-13-22)34(45)40-16-6-11-30(40)33(44)39-29(19-23-20-37-27-10-5-4-9-25(23)27)32(43)38-28(31(36)42)18-21-7-2-1-3-8-21/h1-5,7-10,12-15,20,26,28-30,37,41H,6,11,16-19,35H2,(H2,36,42)(H,38,43)(H,39,44)/t26-,28-,29-,30-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	6.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Reproductive Medicine Special Hospital of the First Hospital of Lanzhou University, Key Laboratory for Reproductive Medicine and Embryo Gansu Province, China. Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu-opioid receptor in Wistar rat brain membrane after 1 hr by microbeta scintillation counting method				Bioorg Med Chem Lett 27: 2119-2123 (2017) Article DOI: 10.1016/j.bmcl.2017.03.067 BindingDB Entry DOI: 10.7270/Q2668GMF
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50256911 (CHEMBL4095621) Show SMILES C[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(N)=N)C(=O)NCC(=O)N[C@@H](Cc1ccc(Cl)cc1)C(N)=O |r| Show InChI InChI=1S/C24H30ClN7O5/c1-13(30-23(37)19(32-24(27)28)11-15-4-8-17(33)9-5-15)22(36)29-12-20(34)31-18(21(26)35)10-14-2-6-16(25)7-3-14/h2-9,13,18-19,33H,10-12H2,1H3,(H2,26,35)(H,29,36)(H,30,37)(H,31,34)(H4,27,28,32)/t13-,18+,19+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	101	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Reproductive Medicine Special Hospital of the First Hospital of Lanzhou University, Key Laboratory for Reproductive Medicine and Embryo Gansu Province, China. Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from delta-opioid receptor in Wistar rat brain membrane after 3 hrs by microbeta scintillation counting method				Bioorg Med Chem Lett 27: 2119-2123 (2017) Article DOI: 10.1016/j.bmcl.2017.03.067 BindingDB Entry DOI: 10.7270/Q2668GMF
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50256916 (CHEMBL4096142) Show SMILES NC(=N)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@@H]1C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C26H33N7O5/c27-23(36)19(13-16-5-2-1-3-6-16)31-22(35)15-30-24(37)21-7-4-12-33(21)25(38)20(32-26(28)29)14-17-8-10-18(34)11-9-17/h1-3,5-6,8-11,19-21,34H,4,7,12-15H2,(H2,27,36)(H,30,37)(H,31,35)(H4,28,29,32)/t19-,20-,21+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	247	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Reproductive Medicine Special Hospital of the First Hospital of Lanzhou University, Key Laboratory for Reproductive Medicine and Embryo Gansu Province, China. Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu-opioid receptor in Wistar rat brain membrane after 1 hr by microbeta scintillation counting method				Bioorg Med Chem Lett 27: 2119-2123 (2017) Article DOI: 10.1016/j.bmcl.2017.03.067 BindingDB Entry DOI: 10.7270/Q2668GMF
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50256914 (CHEMBL4061665) Show SMILES C[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(N)=N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C24H31N7O5/c1-14(29-23(36)19(31-24(26)27)12-16-7-9-17(32)10-8-16)22(35)28-13-20(33)30-18(21(25)34)11-15-5-3-2-4-6-15/h2-10,14,18-19,32H,11-13H2,1H3,(H2,25,34)(H,28,35)(H,29,36)(H,30,33)(H4,26,27,31)/t14-,18+,19+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	840	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Reproductive Medicine Special Hospital of the First Hospital of Lanzhou University, Key Laboratory for Reproductive Medicine and Embryo Gansu Province, China. Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from delta-opioid receptor in Wistar rat brain membrane after 3 hrs by microbeta scintillation counting method				Bioorg Med Chem Lett 27: 2119-2123 (2017) Article DOI: 10.1016/j.bmcl.2017.03.067 BindingDB Entry DOI: 10.7270/Q2668GMF
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50256915 (CHEMBL4068851) Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(Cl)cc1)C(N)=O |r| Show InChI InChI=1S/C23H28ClN5O5/c1-13(28-23(34)18(25)10-14-4-8-17(30)9-5-14)22(33)27-12-20(31)29-19(21(26)32)11-15-2-6-16(24)7-3-15/h2-9,13,18-19,30H,10-12,25H2,1H3,(H2,26,32)(H,27,33)(H,28,34)(H,29,31)/t13-,18+,19+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Reproductive Medicine Special Hospital of the First Hospital of Lanzhou University, Key Laboratory for Reproductive Medicine and Embryo Gansu Province, China. Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from delta-opioid receptor in Wistar rat brain membrane after 3 hrs by microbeta scintillation counting method				Bioorg Med Chem Lett 27: 2119-2123 (2017) Article DOI: 10.1016/j.bmcl.2017.03.067 BindingDB Entry DOI: 10.7270/Q2668GMF
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM21123 ((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...) Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C23H29N5O5/c1-14(27-23(33)18(24)11-16-7-9-17(29)10-8-16)22(32)26-13-20(30)28-19(21(25)31)12-15-5-3-2-4-6-15/h2-10,14,18-19,29H,11-13,24H2,1H3,(H2,25,31)(H,26,32)(H,27,33)(H,28,30)/t14-,18+,19+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Reproductive Medicine Special Hospital of the First Hospital of Lanzhou University, Key Laboratory for Reproductive Medicine and Embryo Gansu Province, China. Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from delta-opioid receptor in Wistar rat brain membrane after 3 hrs by microbeta scintillation counting method				Bioorg Med Chem Lett 27: 2119-2123 (2017) Article DOI: 10.1016/j.bmcl.2017.03.067 BindingDB Entry DOI: 10.7270/Q2668GMF
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50256916 (CHEMBL4096142) Show SMILES NC(=N)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@@H]1C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C26H33N7O5/c27-23(36)19(13-16-5-2-1-3-6-16)31-22(35)15-30-24(37)21-7-4-12-33(21)25(38)20(32-26(28)29)14-17-8-10-18(34)11-9-17/h1-3,5-6,8-11,19-21,34H,4,7,12-15H2,(H2,27,36)(H,30,37)(H,31,35)(H4,28,29,32)/t19-,20-,21+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	4.55E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Reproductive Medicine Special Hospital of the First Hospital of Lanzhou University, Key Laboratory for Reproductive Medicine and Embryo Gansu Province, China. Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from delta-opioid receptor in Wistar rat brain membrane after 3 hrs by microbeta scintillation counting method				Bioorg Med Chem Lett 27: 2119-2123 (2017) Article DOI: 10.1016/j.bmcl.2017.03.067 BindingDB Entry DOI: 10.7270/Q2668GMF
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50095155 ((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](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C34H38N6O5/c35-26(17-22-12-14-24(41)15-13-22)34(45)40-16-6-11-30(40)33(44)39-29(19-23-20-37-27-10-5-4-9-25(23)27)32(43)38-28(31(36)42)18-21-7-2-1-3-8-21/h1-5,7-10,12-15,20,26,28-30,37,41H,6,11,16-19,35H2,(H2,36,42)(H,38,43)(H,39,44)/t26-,28-,29-,30-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	5.78E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Reproductive Medicine Special Hospital of the First Hospital of Lanzhou University, Key Laboratory for Reproductive Medicine and Embryo Gansu Province, China. Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from delta-opioid receptor in Wistar rat brain membrane after 3 hrs by microbeta scintillation counting method				Bioorg Med Chem Lett 27: 2119-2123 (2017) Article DOI: 10.1016/j.bmcl.2017.03.067 BindingDB Entry DOI: 10.7270/Q2668GMF
					More data for this Ligand-Target Pair