null

SMILES: CC(=O)OC1=CC[C@H]2[C@@H]3Cc4ccc(OC(C)=O)cc4[C@H]([C@@H]4CCCN34)C2=C1

InChI Key: InChIKey=RJEZRHZJLRFTJG-PVSGBFIBSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50122554   

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))	BDBM50122554 (13-methylcarbonyloxy-20-azapentacyclo[7.6.5.02,7.0...) Show SMILES CC(=O)OC1=CC[C@H]2[C@@H]3Cc4ccc(OC(C)=O)cc4[C@H]([C@@H]4CCCN34)C2=C1 |wU:8.26,20.28,7.29,21.27,c:30,t:4,TLB:11:10:25.21:26.7,24:25:26.7:19.10.9,22:21:26.7:19.10.9,THB:6:7:25.21:19.10.9,18:19:25.21:26.7,(6.54,5.97,;6.54,4.43,;7.87,3.66,;5.21,3.66,;5.21,2.12,;6.56,1.35,;6.56,-.19,;5.21,-.96,;5.44,-4.84,;3.88,-4.84,;2.55,-4.07,;1.22,-4.84,;-.11,-4.07,;-.11,-2.52,;-1.45,-1.75,;-1.45,-.21,;-2.79,.58,;-.12,.56,;1.22,-1.75,;2.55,-2.52,;3.88,-1.75,;8.07,-3.32,;9.36,-4.16,;8.96,-5.65,;7.43,-5.72,;6.87,-4.28,;3.88,-.19,;3.88,1.35,)| Show InChI InChI=1S/C23H25NO4/c1-13(25)27-16-6-5-15-10-22-18-8-7-17(28-14(2)26)12-20(18)23(19(15)11-16)21-4-3-9-24(21)22/h5-7,11-12,18,21-23H,3-4,8-10H2,1-2H3/t18-,21+,22+,23+/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	2.90E+3	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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50122554 (13-methylcarbonyloxy-20-azapentacyclo[7.6.5.02,7.0...) Show SMILES CC(=O)OC1=CC[C@H]2[C@@H]3Cc4ccc(OC(C)=O)cc4[C@H]([C@@H]4CCCN34)C2=C1 |wU:8.26,20.28,7.29,21.27,c:30,t:4,TLB:11:10:25.21:26.7,24:25:26.7:19.10.9,22:21:26.7:19.10.9,THB:6:7:25.21:19.10.9,18:19:25.21:26.7,(6.54,5.97,;6.54,4.43,;7.87,3.66,;5.21,3.66,;5.21,2.12,;6.56,1.35,;6.56,-.19,;5.21,-.96,;5.44,-4.84,;3.88,-4.84,;2.55,-4.07,;1.22,-4.84,;-.11,-4.07,;-.11,-2.52,;-1.45,-1.75,;-1.45,-.21,;-2.79,.58,;-.12,.56,;1.22,-1.75,;2.55,-2.52,;3.88,-1.75,;8.07,-3.32,;9.36,-4.16,;8.96,-5.65,;7.43,-5.72,;6.87,-4.28,;3.88,-.19,;3.88,1.35,)| Show InChI InChI=1S/C23H25NO4/c1-13(25)27-16-6-5-15-10-22-18-8-7-17(28-14(2)26)12-20(18)23(19(15)11-16)21-4-3-9-24(21)22/h5-7,11-12,18,21-23H,3-4,8-10H2,1-2H3/t18-,21+,22+,23+/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	>6.00E+3	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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50122554 (13-methylcarbonyloxy-20-azapentacyclo[7.6.5.02,7.0...) Show SMILES CC(=O)OC1=CC[C@H]2[C@@H]3Cc4ccc(OC(C)=O)cc4[C@H]([C@@H]4CCCN34)C2=C1 |wU:8.26,20.28,7.29,21.27,c:30,t:4,TLB:11:10:25.21:26.7,24:25:26.7:19.10.9,22:21:26.7:19.10.9,THB:6:7:25.21:19.10.9,18:19:25.21:26.7,(6.54,5.97,;6.54,4.43,;7.87,3.66,;5.21,3.66,;5.21,2.12,;6.56,1.35,;6.56,-.19,;5.21,-.96,;5.44,-4.84,;3.88,-4.84,;2.55,-4.07,;1.22,-4.84,;-.11,-4.07,;-.11,-2.52,;-1.45,-1.75,;-1.45,-.21,;-2.79,.58,;-.12,.56,;1.22,-1.75,;2.55,-2.52,;3.88,-1.75,;8.07,-3.32,;9.36,-4.16,;8.96,-5.65,;7.43,-5.72,;6.87,-4.28,;3.88,-.19,;3.88,1.35,)| Show InChI InChI=1S/C23H25NO4/c1-13(25)27-16-6-5-15-10-22-18-8-7-17(28-14(2)26)12-20(18)23(19(15)11-16)21-4-3-9-24(21)22/h5-7,11-12,18,21-23H,3-4,8-10H2,1-2H3/t18-,21+,22+,23+/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	220	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