null

SMILES: [H][C@]12Oc3c4c(C[C@H]5N(C)CC[C@@]14[C@]5(O)CC[C@H]2NC(=O)CNC(=O)CNC(=O)CNC(=O)CCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H]1CC[C@]2(O)[C@H]4Cc5ccc(O)c6O[C@@]1([H])[C@]2(CCN4C)c56)ccc3O

InChI Key: InChIKey=OTMKLHUGNDKIGO-UBQJXKISSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50021497   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Mu-type opioid receptor (GUINEA PIG)	BDBM50021497 (1N,4N-di[10,17-dihydroxy-4-methyl-(13R,14S,17S)-12...) Show SMILES [H][C@]12Oc3c4c(C[C@H]5N(C)CC[C@@]14[C@]5(O)CC[C@H]2NC(=O)CNC(=O)CNC(=O)CNC(=O)CCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H]1CC[C@]2(O)[C@H]4Cc5ccc(O)c6O[C@@]1([H])[C@]2(CCN4C)c56)ccc3O |TLB:70:69:53:71.57.56,THB:9:8:13:4.5.6| Show InChI InChI=1S/C46H58N8O12/c1-53-15-13-43-37-23-3-5-27(55)39(37)65-41(43)25(9-11-45(43,63)29(53)17-23)51-35(61)21-49-33(59)19-47-31(57)7-8-32(58)48-20-34(60)50-22-36(62)52-26-10-12-46(64)30-18-24-4-6-28(56)40-38(24)44(46,42(26)66-40)14-16-54(30)2/h3-6,25-26,29-30,41-42,55-56,63-64H,7-22H2,1-2H3,(H,47,57)(H,48,58)(H,49,59)(H,50,60)(H,51,61)(H,52,62)/t25-,26-,29?,30?,41-,42-,43?,44?,45+,46+/m0/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-naloxone from Opioid receptor mu 1 in guinea pig brain membrane				J Med Chem 29: 1855-61 (1986) BindingDB Entry DOI: 10.7270/Q21Z43DQ
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50021497 (1N,4N-di[10,17-dihydroxy-4-methyl-(13R,14S,17S)-12...) Show SMILES [H][C@]12Oc3c4c(C[C@H]5N(C)CC[C@@]14[C@]5(O)CC[C@H]2NC(=O)CNC(=O)CNC(=O)CNC(=O)CCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H]1CC[C@]2(O)[C@H]4Cc5ccc(O)c6O[C@@]1([H])[C@]2(CCN4C)c56)ccc3O |TLB:70:69:53:71.57.56,THB:9:8:13:4.5.6| Show InChI InChI=1S/C46H58N8O12/c1-53-15-13-43-37-23-3-5-27(55)39(37)65-41(43)25(9-11-45(43,63)29(53)17-23)51-35(61)21-49-33(59)19-47-31(57)7-8-32(58)48-20-34(60)50-22-36(62)52-26-10-12-46(64)30-18-24-4-6-28(56)40-38(24)44(46,42(26)66-40)14-16-54(30)2/h3-6,25-26,29-30,41-42,55-56,63-64H,7-22H2,1-2H3,(H,47,57)(H,48,58)(H,49,59)(H,50,60)(H,51,61)(H,52,62)/t25-,26-,29?,30?,41-,42-,43?,44?,45+,46+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-EK from Opioid receptor delta 1 in guinea pig brain membrane				J Med Chem 29: 1855-61 (1986) BindingDB Entry DOI: 10.7270/Q21Z43DQ
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50021497 (1N,4N-di[10,17-dihydroxy-4-methyl-(13R,14S,17S)-12...) Show SMILES [H][C@]12Oc3c4c(C[C@H]5N(C)CC[C@@]14[C@]5(O)CC[C@H]2NC(=O)CNC(=O)CNC(=O)CNC(=O)CCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H]1CC[C@]2(O)[C@H]4Cc5ccc(O)c6O[C@@]1([H])[C@]2(CCN4C)c56)ccc3O |TLB:70:69:53:71.57.56,THB:9:8:13:4.5.6| Show InChI InChI=1S/C46H58N8O12/c1-53-15-13-43-37-23-3-5-27(55)39(37)65-41(43)25(9-11-45(43,63)29(53)17-23)51-35(61)21-49-33(59)19-47-31(57)7-8-32(58)48-20-34(60)50-22-36(62)52-26-10-12-46(64)30-18-24-4-6-28(56)40-38(24)44(46,42(26)66-40)14-16-54(30)2/h3-6,25-26,29-30,41-42,55-56,63-64H,7-22H2,1-2H3,(H,47,57)(H,48,58)(H,49,59)(H,50,60)(H,51,61)(H,52,62)/t25-,26-,29?,30?,41-,42-,43?,44?,45+,46+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-DADLE from Opioid receptor kappa 1 in guinea pig brain membrane				J Med Chem 29: 1855-61 (1986) BindingDB Entry DOI: 10.7270/Q21Z43DQ
					More data for this Ligand-Target Pair