Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with all data for entry = 50010602   

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 (Homo sapiens (Human))	BDBM50096714 (2-[2-(2-{2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phen...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(N)=O Show InChI InChI=1S/C31H44N6O6/c1-17(2)11-25(28(33)40)37-31(43)26(14-21-9-7-6-8-10-21)36-27(39)16-34-29(41)20(5)35-30(42)24(32)15-23-18(3)12-22(38)13-19(23)4/h6-10,12-13,17,20,24-26,38H,11,14-16,32H2,1-5H3,(H2,33,40)(H,34,41)(H,35,42)(H,36,39)(H,37,43)/t20-,24-,25-,26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.322	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Clinical Research Institute of Montreal Curated by ChEMBL					Assay Description Tested for binding affinity towards Opioid receptor delta 1 in rat and guinea pig brain membrane binding assays				Bioorg Med Chem Lett 11: 323-5 (2001) BindingDB Entry DOI: 10.7270/Q290231V
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50096714 (2-[2-(2-{2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phen...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(N)=O Show InChI InChI=1S/C31H44N6O6/c1-17(2)11-25(28(33)40)37-31(43)26(14-21-9-7-6-8-10-21)36-27(39)16-34-29(41)20(5)35-30(42)24(32)15-23-18(3)12-22(38)13-19(23)4/h6-10,12-13,17,20,24-26,38H,11,14-16,32H2,1-5H3,(H2,33,40)(H,34,41)(H,35,42)(H,36,39)(H,37,43)/t20-,24-,25-,26-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.492	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Clinical Research Institute of Montreal Curated by ChEMBL					Assay Description Tested for binding affinity towards Opioid receptor mu 1 in rat and guinea pig brain membrane binding assays				Bioorg Med Chem Lett 11: 323-5 (2001) BindingDB Entry DOI: 10.7270/Q290231V
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Clinical Research Institute of Montreal Curated by ChEMBL					Assay Description Tested for binding affinity towards Opioid receptor delta 1 in rat and guinea pig brain membrane binding assays				Bioorg Med Chem Lett 11: 323-5 (2001) BindingDB Entry DOI: 10.7270/Q290231V
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	9.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Clinical Research Institute of Montreal Curated by ChEMBL					Assay Description Tested for binding affinity towards Opioid receptor mu 1 in rat and guinea pig brain membrane binding assays				Bioorg Med Chem Lett 11: 323-5 (2001) BindingDB Entry DOI: 10.7270/Q290231V
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50096715 ((S)-2-[(S)-2-(2-{(S)-2-[(S)-3-(4-Hydroxy-2,6-dimet...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](C)Cc1c(C)cc(O)cc1C)C(N)=O Show InChI InChI=1S/C32H45N5O6/c1-18(2)12-26(29(33)40)37-32(43)27(16-23-10-8-7-9-11-23)36-28(39)17-34-31(42)22(6)35-30(41)21(5)15-25-19(3)13-24(38)14-20(25)4/h7-11,13-14,18,21-22,26-27,38H,12,15-17H2,1-6H3,(H2,33,40)(H,34,42)(H,35,41)(H,36,39)(H,37,43)/t21-,22-,26-,27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Clinical Research Institute of Montreal Curated by ChEMBL					Assay Description Tested for binding affinity towards Opioid receptor delta 1 in rat and guinea pig brain membrane binding assays				Bioorg Med Chem Lett 11: 323-5 (2001) BindingDB Entry DOI: 10.7270/Q290231V
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50096715 ((S)-2-[(S)-2-(2-{(S)-2-[(S)-3-(4-Hydroxy-2,6-dimet...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](C)Cc1c(C)cc(O)cc1C)C(N)=O Show InChI InChI=1S/C32H45N5O6/c1-18(2)12-26(29(33)40)37-32(43)27(16-23-10-8-7-9-11-23)36-28(39)17-34-31(42)22(6)35-30(41)21(5)15-25-19(3)13-24(38)14-20(25)4/h7-11,13-14,18,21-22,26-27,38H,12,15-17H2,1-6H3,(H2,33,40)(H,34,42)(H,35,41)(H,36,39)(H,37,43)/t21-,22-,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	PubMed	192	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Clinical Research Institute of Montreal Curated by ChEMBL					Assay Description Tested for binding affinity towards Opioid receptor mu 1 in rat and guinea pig brain membrane binding assays				Bioorg Med Chem Lett 11: 323-5 (2001) BindingDB Entry DOI: 10.7270/Q290231V
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50096715 ((S)-2-[(S)-2-(2-{(S)-2-[(S)-3-(4-Hydroxy-2,6-dimet...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](C)Cc1c(C)cc(O)cc1C)C(N)=O Show InChI InChI=1S/C32H45N5O6/c1-18(2)12-26(29(33)40)37-32(43)27(16-23-10-8-7-9-11-23)36-28(39)17-34-31(42)22(6)35-30(41)21(5)15-25-19(3)13-24(38)14-20(25)4/h7-11,13-14,18,21-22,26-27,38H,12,15-17H2,1-6H3,(H2,33,40)(H,34,42)(H,35,41)(H,36,39)(H,37,43)/t21-,22-,26-,27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Clinical Research Institute of Montreal Curated by ChEMBL					Assay Description Tested for binding affinity towards Opioid receptor kappa 1				Bioorg Med Chem Lett 11: 323-5 (2001) BindingDB Entry DOI: 10.7270/Q290231V
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50096714 (2-[2-(2-{2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phen...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(N)=O Show InChI InChI=1S/C31H44N6O6/c1-17(2)11-25(28(33)40)37-31(43)26(14-21-9-7-6-8-10-21)36-27(39)16-34-29(41)20(5)35-30(42)24(32)15-23-18(3)12-22(38)13-19(23)4/h6-10,12-13,17,20,24-26,38H,11,14-16,32H2,1-5H3,(H2,33,40)(H,34,41)(H,35,42)(H,36,39)(H,37,43)/t20-,24-,25-,26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Clinical Research Institute of Montreal Curated by ChEMBL					Assay Description Tested for binding affinity towards Opioid receptor kappa 1				Bioorg Med Chem Lett 11: 323-5 (2001) BindingDB Entry DOI: 10.7270/Q290231V
					More data for this Ligand-Target Pair