Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with all data for entry = 50048964   

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
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM21008 ((4S,7S,13S)-13-[(2S)-2-amino-3-(4-hydroxyphenyl)pr...) Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21-,23-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE 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
Universit£ di Chieti-Pescara"G. d'Annunzio" Curated by ChEMBL					Assay Description Displacement of [3H]lleDelt2 from delta opioid receptor in Wistar rat brain membranes after 45 mins by liquid scintillation counting method				ACS Med Chem Lett 8: 449-454 (2017) Article DOI: 10.1021/acsmedchemlett.7b00044 BindingDB Entry DOI: 10.7270/Q22F7QP1
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50231830 (CHEMBL4066390) Show SMILES OC(=O)C(F)(F)F.CC1(C)SCc2ccccc2CSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O |r| Show InChI InChI=1S/C38H47N5O7S2.C2HF3O2/c1-37(2)31(42-33(46)28(39)18-24-14-16-27(44)17-15-24)35(48)40-20-30(45)41-29(19-23-10-6-5-7-11-23)34(47)43-32(36(49)50)38(3,4)52-22-26-13-9-8-12-25(26)21-51-37;3-2(4,5)1(6)7/h5-17,28-29,31-32,44H,18-22,39H2,1-4H3,(H,40,48)(H,41,45)(H,42,46)(H,43,47)(H,49,50);(H,6,7)/t28-,29-,31-,32-;/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
Universit£ di Chieti-Pescara"G. d'Annunzio" Curated by ChEMBL					Assay Description Displacement of [3H]lleDelt2 from delta opioid receptor in Wistar rat brain membranes after 45 mins by liquid scintillation counting method				ACS Med Chem Lett 8: 449-454 (2017) Article DOI: 10.1021/acsmedchemlett.7b00044 BindingDB Entry DOI: 10.7270/Q22F7QP1
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50231828 (CHEMBL4086190) Show SMILES OC(=O)C(F)(F)F.CC1(C)SCc2cccc(CSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc3ccc(O)cc3)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H]1C(O)=O)c2 |r| Show InChI InChI=1S/C38H47N5O7S2.C2HF3O2/c1-37(2)31(42-33(46)28(39)18-24-13-15-27(44)16-14-24)35(48)40-20-30(45)41-29(19-23-9-6-5-7-10-23)34(47)43-32(36(49)50)38(3,4)52-22-26-12-8-11-25(17-26)21-51-37;3-2(4,5)1(6)7/h5-17,28-29,31-32,44H,18-22,39H2,1-4H3,(H,40,48)(H,41,45)(H,42,46)(H,43,47)(H,49,50);(H,6,7)/t28-,29-,31-,32-;/m0./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Universit£ di Chieti-Pescara"G. d'Annunzio" Curated by ChEMBL					Assay Description Displacement of [3H]lleDelt2 from delta opioid receptor in Wistar rat brain membranes after 45 mins by liquid scintillation counting method				ACS Med Chem Lett 8: 449-454 (2017) Article DOI: 10.1021/acsmedchemlett.7b00044 BindingDB Entry DOI: 10.7270/Q22F7QP1
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50231830 (CHEMBL4066390) Show SMILES OC(=O)C(F)(F)F.CC1(C)SCc2ccccc2CSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O |r| Show InChI InChI=1S/C38H47N5O7S2.C2HF3O2/c1-37(2)31(42-33(46)28(39)18-24-14-16-27(44)17-15-24)35(48)40-20-30(45)41-29(19-23-10-6-5-7-11-23)34(47)43-32(36(49)50)38(3,4)52-22-26-13-9-8-12-25(26)21-51-37;3-2(4,5)1(6)7/h5-17,28-29,31-32,44H,18-22,39H2,1-4H3,(H,40,48)(H,41,45)(H,42,46)(H,43,47)(H,49,50);(H,6,7)/t28-,29-,31-,32-;/m0./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	115	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Chieti-Pescara"G. d'Annunzio" Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in Wistar rat brain membranes after 45 mins by liquid scintillation counting method				ACS Med Chem Lett 8: 449-454 (2017) Article DOI: 10.1021/acsmedchemlett.7b00044 BindingDB Entry DOI: 10.7270/Q22F7QP1
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50231829 (CHEMBL4104096) Show SMILES OC(=O)C(F)(F)F.CC1(C)SCc2ccc(CSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc3ccc(O)cc3)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H]1C(O)=O)cc2 |r| Show InChI InChI=1S/C38H47N5O7S2.C2HF3O2/c1-37(2)31(42-33(46)28(39)18-24-14-16-27(44)17-15-24)35(48)40-20-30(45)41-29(19-23-8-6-5-7-9-23)34(47)43-32(36(49)50)38(3,4)52-22-26-12-10-25(11-13-26)21-51-37;3-2(4,5)1(6)7/h5-17,28-29,31-32,44H,18-22,39H2,1-4H3,(H,40,48)(H,41,45)(H,42,46)(H,43,47)(H,49,50);(H,6,7)/t28-,29-,31-,32-;/m0./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	249	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Chieti-Pescara"G. d'Annunzio" Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in Wistar rat brain membranes after 45 mins by liquid scintillation counting method				ACS Med Chem Lett 8: 449-454 (2017) Article DOI: 10.1021/acsmedchemlett.7b00044 BindingDB Entry DOI: 10.7270/Q22F7QP1
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50231828 (CHEMBL4086190) Show SMILES OC(=O)C(F)(F)F.CC1(C)SCc2cccc(CSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc3ccc(O)cc3)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H]1C(O)=O)c2 |r| Show InChI InChI=1S/C38H47N5O7S2.C2HF3O2/c1-37(2)31(42-33(46)28(39)18-24-13-15-27(44)16-14-24)35(48)40-20-30(45)41-29(19-23-9-6-5-7-10-23)34(47)43-32(36(49)50)38(3,4)52-22-26-12-8-11-25(17-26)21-51-37;3-2(4,5)1(6)7/h5-17,28-29,31-32,44H,18-22,39H2,1-4H3,(H,40,48)(H,41,45)(H,42,46)(H,43,47)(H,49,50);(H,6,7)/t28-,29-,31-,32-;/m0./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	292	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Chieti-Pescara"G. d'Annunzio" Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in Wistar rat brain membranes after 45 mins by liquid scintillation counting method				ACS Med Chem Lett 8: 449-454 (2017) Article DOI: 10.1021/acsmedchemlett.7b00044 BindingDB Entry DOI: 10.7270/Q22F7QP1
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM21008 ((4S,7S,13S)-13-[(2S)-2-amino-3-(4-hydroxyphenyl)pr...) Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21-,23-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	438	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Chieti-Pescara"G. d'Annunzio" Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in Wistar rat brain membranes after 45 mins by liquid scintillation counting method				ACS Med Chem Lett 8: 449-454 (2017) Article DOI: 10.1021/acsmedchemlett.7b00044 BindingDB Entry DOI: 10.7270/Q22F7QP1
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50231829 (CHEMBL4104096) Show SMILES OC(=O)C(F)(F)F.CC1(C)SCc2ccc(CSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc3ccc(O)cc3)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H]1C(O)=O)cc2 |r| Show InChI InChI=1S/C38H47N5O7S2.C2HF3O2/c1-37(2)31(42-33(46)28(39)18-24-14-16-27(44)17-15-24)35(48)40-20-30(45)41-29(19-23-8-6-5-7-9-23)34(47)43-32(36(49)50)38(3,4)52-22-26-12-10-25(11-13-26)21-51-37;3-2(4,5)1(6)7/h5-17,28-29,31-32,44H,18-22,39H2,1-4H3,(H,40,48)(H,41,45)(H,42,46)(H,43,47)(H,49,50);(H,6,7)/t28-,29-,31-,32-;/m0./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	546	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Chieti-Pescara"G. d'Annunzio" Curated by ChEMBL					Assay Description Displacement of [3H]lleDelt2 from delta opioid receptor in Wistar rat brain membranes after 45 mins by liquid scintillation counting method				ACS Med Chem Lett 8: 449-454 (2017) Article DOI: 10.1021/acsmedchemlett.7b00044 BindingDB Entry DOI: 10.7270/Q22F7QP1
					More data for this Ligand-Target Pair