Compile Data Set for Download or QSAR

Found 4 hits of ki for monomerid = 50036136   

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))	BDBM50036136 (6-amino-2-[22-cyclopropylmethyl-2,16-dihydroxy-(2S...) Show SMILES NCCCC[C@@H](NC(=O)c1cccc2c3C[C@@]4(O)C5Cc6ccc(O)c7O[C@@H](c3[nH]c12)C4(CCN5CC1CC1)c67)C(O)=O |TLB:35:34:16:39.20.19,25:39:16:34.32.33,17:16:39.20.19:34.32.33,THB:15:16:39.20.19:34.32.33| Show InChI InChI=1S/C33H38N4O6/c34-12-2-1-6-22(31(40)41)35-30(39)20-5-3-4-19-21-15-33(42)24-14-18-9-10-23(38)28-25(18)32(33,11-13-37(24)16-17-7-8-17)29(43-28)27(21)36-26(19)20/h3-5,9-10,17,22,24,29,36,38,42H,1-2,6-8,11-16,34H2,(H,35,39)(H,40,41)/t22-,24?,29+,32?,33-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description The opioid receptor affinity(Ki) was evaluated by competition with [3H]-DPDPE (delta 1) on guinea pig brain membranes				J Med Chem 38: 402-7 (1995) BindingDB Entry DOI: 10.7270/Q22N52W5
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50036136 (6-amino-2-[22-cyclopropylmethyl-2,16-dihydroxy-(2S...) Show SMILES NCCCC[C@@H](NC(=O)c1cccc2c3C[C@@]4(O)C5Cc6ccc(O)c7O[C@@H](c3[nH]c12)C4(CCN5CC1CC1)c67)C(O)=O |TLB:35:34:16:39.20.19,25:39:16:34.32.33,17:16:39.20.19:34.32.33,THB:15:16:39.20.19:34.32.33| Show InChI InChI=1S/C33H38N4O6/c34-12-2-1-6-22(31(40)41)35-30(39)20-5-3-4-19-21-15-33(42)24-14-18-9-10-23(38)28-25(18)32(33,11-13-37(24)16-17-7-8-17)29(43-28)27(21)36-26(19)20/h3-5,9-10,17,22,24,29,36,38,42H,1-2,6-8,11-16,34H2,(H,35,39)(H,40,41)/t22-,24?,29+,32?,33-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description The opioid receptor affinity(Ki) was evaluated by competition with [3H]DSLET (delta 2) on guinea pig brain membranes				J Med Chem 38: 402-7 (1995) BindingDB Entry DOI: 10.7270/Q22N52W5
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50036136 (6-amino-2-[22-cyclopropylmethyl-2,16-dihydroxy-(2S...) Show SMILES NCCCC[C@@H](NC(=O)c1cccc2c3C[C@@]4(O)C5Cc6ccc(O)c7O[C@@H](c3[nH]c12)C4(CCN5CC1CC1)c67)C(O)=O |TLB:35:34:16:39.20.19,25:39:16:34.32.33,17:16:39.20.19:34.32.33,THB:15:16:39.20.19:34.32.33| Show InChI InChI=1S/C33H38N4O6/c34-12-2-1-6-22(31(40)41)35-30(39)20-5-3-4-19-21-15-33(42)24-14-18-9-10-23(38)28-25(18)32(33,11-13-37(24)16-17-7-8-17)29(43-28)27(21)36-26(19)20/h3-5,9-10,17,22,24,29,36,38,42H,1-2,6-8,11-16,34H2,(H,35,39)(H,40,41)/t22-,24?,29+,32?,33-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description The opioid receptor affinity(Ki) was evaluated by competition with 9 (Opioid receptor kappa 1) on guinea pig brain membranes				J Med Chem 38: 402-7 (1995) BindingDB Entry DOI: 10.7270/Q22N52W5
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50036136 (6-amino-2-[22-cyclopropylmethyl-2,16-dihydroxy-(2S...) Show SMILES NCCCC[C@@H](NC(=O)c1cccc2c3C[C@@]4(O)C5Cc6ccc(O)c7O[C@@H](c3[nH]c12)C4(CCN5CC1CC1)c67)C(O)=O |TLB:35:34:16:39.20.19,25:39:16:34.32.33,17:16:39.20.19:34.32.33,THB:15:16:39.20.19:34.32.33| Show InChI InChI=1S/C33H38N4O6/c34-12-2-1-6-22(31(40)41)35-30(39)20-5-3-4-19-21-15-33(42)24-14-18-9-10-23(38)28-25(18)32(33,11-13-37(24)16-17-7-8-17)29(43-28)27(21)36-26(19)20/h3-5,9-10,17,22,24,29,36,38,42H,1-2,6-8,11-16,34H2,(H,35,39)(H,40,41)/t22-,24?,29+,32?,33-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	219	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description The opioid receptor affinity(Ki) was evaluated by competition with [3H]DAMGO (mu) on guinea pig brain membranes				J Med Chem 38: 402-7 (1995) BindingDB Entry DOI: 10.7270/Q22N52W5
					More data for this Ligand-Target Pair