Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with all data for entry = 50035052   

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))	BDBM21015 ((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...) Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	PubMed	0.530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Napoli Federico II Curated by ChEMBL					Assay Description Compound was evaluated for the binding affinity of Opioid receptor mu 1 by displacing the radioligand [3H]DAMGO from rat brain membrane				Bioorg Med Chem Lett 10: 1185-8 (2000) BindingDB Entry DOI: 10.7270/Q2S46SG6
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50089073 (({1-[3-({1-[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](CC(=O)N1CCC[C@H]1C(=O)NCC(O)=O)Cc1ccccc1 |r| Show InChI InChI=1S/C31H39N5O7/c32-24(17-21-10-12-23(37)13-11-21)31(43)36-15-5-9-26(36)30(42)34-22(16-20-6-2-1-3-7-20)18-27(38)35-14-4-8-25(35)29(41)33-19-28(39)40/h1-3,6-7,10-13,22,24-26,37H,4-5,8-9,14-19,32H2,(H,33,41)(H,34,42)(H,39,40)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	720	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Napoli Federico II Curated by ChEMBL					Assay Description Compound was evaluated for the binding affinity of Opioid receptor mu 1 by displacing the radioligand [3H]DAMGO from rat brain membrane				Bioorg Med Chem Lett 10: 1185-8 (2000) BindingDB Entry DOI: 10.7270/Q2S46SG6
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50089075 (2-({1-[2-({1-[3-({1-[2-Amino-3-(4-hydroxy-phenyl)-...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1C(=O)C[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O |r| Show InChI InChI=1S/C42H57N7O9/c1-3-26(2)37(42(57)58)46-40(55)33-13-8-20-48(33)36(52)25-44-38(53)32-12-7-19-47(32)35(51)24-29(22-27-10-5-4-6-11-27)45-39(54)34-14-9-21-49(34)41(56)31(43)23-28-15-17-30(50)18-16-28/h4-6,10-11,15-18,26,29,31-34,37,50H,3,7-9,12-14,19-25,43H2,1-2H3,(H,44,53)(H,45,54)(H,46,55)(H,57,58)/t26-,29-,31-,32-,33-,34-,37-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.44E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Napoli Federico II Curated by ChEMBL					Assay Description Compound was evaluated for the binding affinity of Opioid receptor mu 1 by displacing the radioligand [3H]DAMGO from rat brain membrane				Bioorg Med Chem Lett 10: 1185-8 (2000) BindingDB Entry DOI: 10.7270/Q2S46SG6
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50089071 (({1-[2-({1-[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)N1CCC[C@H]1C(=O)NCC(O)=O |r| Show InChI InChI=1S/C30H37N5O7/c31-22(16-20-10-12-21(36)13-11-20)29(41)34-14-5-9-25(34)28(40)33-23(17-19-6-2-1-3-7-19)30(42)35-15-4-8-24(35)27(39)32-18-26(37)38/h1-3,6-7,10-13,22-25,36H,4-5,8-9,14-18,31H2,(H,32,39)(H,33,40)(H,37,38)/t22-,23-,24-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	1.62E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Napoli Federico II Curated by ChEMBL					Assay Description Compound was evaluated for the binding affinity of Opioid receptor mu 1 by displacing the radioligand [3H]DAMGO from rat brain membrane				Bioorg Med Chem Lett 10: 1185-8 (2000) BindingDB Entry DOI: 10.7270/Q2S46SG6
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50089072 (2-({1-[2-({1-[2-({1-[2-Amino-3-(4-hydroxy-phenyl)-...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O |r| Show InChI InChI=1S/C41H55N7O9/c1-3-25(2)35(41(56)57)45-38(53)32-13-7-19-46(32)34(50)24-43-36(51)31-12-8-21-48(31)40(55)30(23-26-10-5-4-6-11-26)44-37(52)33-14-9-20-47(33)39(54)29(42)22-27-15-17-28(49)18-16-27/h4-6,10-11,15-18,25,29-33,35,49H,3,7-9,12-14,19-24,42H2,1-2H3,(H,43,51)(H,44,52)(H,45,53)(H,56,57)/t25-,29-,30-,31-,32-,33-,35-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	7.54E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Napoli Federico II Curated by ChEMBL					Assay Description Compound was evaluated for the binding affinity of Opioid receptor mu 1 by displacing the radioligand [3H]DAMGO from rat brain membrane				Bioorg Med Chem Lett 10: 1185-8 (2000) BindingDB Entry DOI: 10.7270/Q2S46SG6
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50089073 (({1-[3-({1-[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](CC(=O)N1CCC[C@H]1C(=O)NCC(O)=O)Cc1ccccc1 |r| Show InChI InChI=1S/C31H39N5O7/c32-24(17-21-10-12-23(37)13-11-21)31(43)36-15-5-9-26(36)30(42)34-22(16-20-6-2-1-3-7-20)18-27(38)35-14-4-8-25(35)29(41)33-19-28(39)40/h1-3,6-7,10-13,22,24-26,37H,4-5,8-9,14-19,32H2,(H,33,41)(H,34,42)(H,39,40)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Napoli Federico II Curated by ChEMBL					Assay Description Inhibitory concentration against [3H]DAMGO binding to Opioid receptor mu 1 in rat brain membrane				Bioorg Med Chem Lett 10: 1185-8 (2000) BindingDB Entry DOI: 10.7270/Q2S46SG6
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50089075 (2-({1-[2-({1-[3-({1-[2-Amino-3-(4-hydroxy-phenyl)-...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1C(=O)C[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O |r| Show InChI InChI=1S/C42H57N7O9/c1-3-26(2)37(42(57)58)46-40(55)33-13-8-20-48(33)36(52)25-44-38(53)32-12-7-19-47(32)35(51)24-29(22-27-10-5-4-6-11-27)45-39(54)34-14-9-21-49(34)41(56)31(43)23-28-15-17-30(50)18-16-28/h4-6,10-11,15-18,26,29,31-34,37,50H,3,7-9,12-14,19-25,43H2,1-2H3,(H,44,53)(H,45,54)(H,46,55)(H,57,58)/t26-,29-,31-,32-,33-,34-,37-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Napoli Federico II Curated by ChEMBL					Assay Description Inhibitory concentration against [3H]DAMGO binding to Opioid receptor mu 1 in rat brain membrane				Bioorg Med Chem Lett 10: 1185-8 (2000) BindingDB Entry DOI: 10.7270/Q2S46SG6
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50089071 (({1-[2-({1-[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)N1CCC[C@H]1C(=O)NCC(O)=O |r| Show InChI InChI=1S/C30H37N5O7/c31-22(16-20-10-12-21(36)13-11-20)29(41)34-14-5-9-25(34)28(40)33-23(17-19-6-2-1-3-7-19)30(42)35-15-4-8-24(35)27(39)32-18-26(37)38/h1-3,6-7,10-13,22-25,36H,4-5,8-9,14-18,31H2,(H,32,39)(H,33,40)(H,37,38)/t22-,23-,24-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Napoli Federico II Curated by ChEMBL					Assay Description Inhibitory concentration against [3H]DAMGO binding to Opioid receptor mu 1 in rat brain membrane				Bioorg Med Chem Lett 10: 1185-8 (2000) BindingDB Entry DOI: 10.7270/Q2S46SG6
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50089072 (2-({1-[2-({1-[2-({1-[2-Amino-3-(4-hydroxy-phenyl)-...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O |r| Show InChI InChI=1S/C41H55N7O9/c1-3-25(2)35(41(56)57)45-38(53)32-13-7-19-46(32)34(50)24-43-36(51)31-12-8-21-48(31)40(55)30(23-26-10-5-4-6-11-26)44-37(52)33-14-9-20-47(33)39(54)29(42)22-27-15-17-28(49)18-16-27/h4-6,10-11,15-18,25,29-33,35,49H,3,7-9,12-14,19-24,42H2,1-2H3,(H,43,51)(H,44,52)(H,45,53)(H,56,57)/t25-,29-,30-,31-,32-,33-,35-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Napoli Federico II Curated by ChEMBL					Assay Description Inhibitory concentration against [3H]DAMGO binding to Opioid receptor mu 1 in rat brain membrane				Bioorg Med Chem Lett 10: 1185-8 (2000) BindingDB Entry DOI: 10.7270/Q2S46SG6
					More data for this Ligand-Target Pair