null

SMILES: COC1=C(OC)C=C2[C@@H](C1)[C@@H]1Cc3cc(OC)c(OC)cc3[C@@H]2[C@@H](C)N1C

InChI Key: InChIKey=MLAVZBYGVBERLG-GSSVNKNXSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50122520   

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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50122520 (4,5,12,13-tetramethoxy-16,17-dimethyl-17-azatetrac...) Show SMILES COC1=C(OC)C=C2[C@@H](C1)[C@@H]1Cc3cc(OC)c(OC)cc3[C@@H]2[C@@H](C)N1C |wU:22.24,10.28,8.7,23.26,c:2,6,TLB:24:23:7.8:21.12.11,20:21:7.8:25.23,THB:26:25:7.8:21.12.11,9:8:25.23:21.12.11,13:12:7.8:25.23,(10.65,.11,;9.32,.88,;7.98,.11,;6.63,.88,;6.63,2.42,;5.3,3.19,;5.3,.11,;5.3,-1.45,;6.63,-2.22,;7.98,-1.45,;6.86,-6.07,;5.3,-6.07,;3.97,-5.3,;2.64,-6.07,;1.31,-5.3,;-.02,-6.07,;-1.35,-5.3,;1.31,-3.76,;-.02,-2.99,;-1.35,-3.76,;2.64,-2.99,;3.97,-3.76,;5.3,-2.99,;9.15,-4.25,;10.23,-3.16,;8.29,-5.53,;9.25,-6.73,)| Show InChI InChI=1S/C22H29NO4/c1-12-22-14-9-19(25-4)18(24-3)8-13(14)7-17(23(12)2)15-10-20(26-5)21(27-6)11-16(15)22/h8-9,11-12,15,17,22H,7,10H2,1-6H3/t12-,15-,17+,22+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description In vitro binding affinity against cloned human Opioid receptor delta 1 expressed in HEK 293S cells				J Med Chem 46: 34-48 (2002) Article DOI: 10.1021/jm020164l BindingDB Entry DOI: 10.7270/Q2TM7BTT
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50122520 (4,5,12,13-tetramethoxy-16,17-dimethyl-17-azatetrac...) Show SMILES COC1=C(OC)C=C2[C@@H](C1)[C@@H]1Cc3cc(OC)c(OC)cc3[C@@H]2[C@@H](C)N1C |wU:22.24,10.28,8.7,23.26,c:2,6,TLB:24:23:7.8:21.12.11,20:21:7.8:25.23,THB:26:25:7.8:21.12.11,9:8:25.23:21.12.11,13:12:7.8:25.23,(10.65,.11,;9.32,.88,;7.98,.11,;6.63,.88,;6.63,2.42,;5.3,3.19,;5.3,.11,;5.3,-1.45,;6.63,-2.22,;7.98,-1.45,;6.86,-6.07,;5.3,-6.07,;3.97,-5.3,;2.64,-6.07,;1.31,-5.3,;-.02,-6.07,;-1.35,-5.3,;1.31,-3.76,;-.02,-2.99,;-1.35,-3.76,;2.64,-2.99,;3.97,-3.76,;5.3,-2.99,;9.15,-4.25,;10.23,-3.16,;8.29,-5.53,;9.25,-6.73,)| Show InChI InChI=1S/C22H29NO4/c1-12-22-14-9-19(25-4)18(24-3)8-13(14)7-17(23(12)2)15-10-20(26-5)21(27-6)11-16(15)22/h8-9,11-12,15,17,22H,7,10H2,1-6H3/t12-,15-,17+,22+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description Tested for effective concentration against cloned human Opioid receptor mu 1				J Med Chem 46: 34-48 (2002) Article DOI: 10.1021/jm020164l BindingDB Entry DOI: 10.7270/Q2TM7BTT
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50122520 (4,5,12,13-tetramethoxy-16,17-dimethyl-17-azatetrac...) Show SMILES COC1=C(OC)C=C2[C@@H](C1)[C@@H]1Cc3cc(OC)c(OC)cc3[C@@H]2[C@@H](C)N1C |wU:22.24,10.28,8.7,23.26,c:2,6,TLB:24:23:7.8:21.12.11,20:21:7.8:25.23,THB:26:25:7.8:21.12.11,9:8:25.23:21.12.11,13:12:7.8:25.23,(10.65,.11,;9.32,.88,;7.98,.11,;6.63,.88,;6.63,2.42,;5.3,3.19,;5.3,.11,;5.3,-1.45,;6.63,-2.22,;7.98,-1.45,;6.86,-6.07,;5.3,-6.07,;3.97,-5.3,;2.64,-6.07,;1.31,-5.3,;-.02,-6.07,;-1.35,-5.3,;1.31,-3.76,;-.02,-2.99,;-1.35,-3.76,;2.64,-2.99,;3.97,-3.76,;5.3,-2.99,;9.15,-4.25,;10.23,-3.16,;8.29,-5.53,;9.25,-6.73,)| Show InChI InChI=1S/C22H29NO4/c1-12-22-14-9-19(25-4)18(24-3)8-13(14)7-17(23(12)2)15-10-20(26-5)21(27-6)11-16(15)22/h8-9,11-12,15,17,22H,7,10H2,1-6H3/t12-,15-,17+,22+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description In vitro binding affinity against cloned human Opioid receptor kappa 1 expressed in HEK 293S cells				J Med Chem 46: 34-48 (2002) Article DOI: 10.1021/jm020164l BindingDB Entry DOI: 10.7270/Q2TM7BTT
					More data for this Ligand-Target Pair