null

SMILES: CCO[C@]12Cc3c([nH]c4ccccc34)[C@]3(C)Oc4c5c(CC1N(C)CCC235)ccc4O

InChI Key: InChIKey=SHXTYPBRXDOEOV-RFTKNZGOSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50121334   

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 (Rattus norvegicus (rat))	BDBM50121334 (2-ethoxy-13,22-dimethyl-(2S,13R)-14-oxa-11,22-diaz...) Show SMILES CCO[C@]12Cc3c([nH]c4ccccc34)[C@]3(C)Oc4c5c(CC1N(C)CCC235)ccc4O |TLB:17:18:3:22.25.24,23:22:3:18.19.20,THB:2:3:18.19.20:22.25.24| Show InChI InChI=1S/C26H28N2O3/c1-4-30-26-14-17-16-7-5-6-8-18(16)27-23(17)24(2)25(26)11-12-28(3)20(26)13-15-9-10-19(29)22(31-24)21(15)25/h5-10,20,27,29H,4,11-14H2,1-3H3/t20?,24-,25?,26+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article	5.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the binding affinity towards Opioid receptor delta 1 in rat brain homogenates using [3H]DIDI as radioligand				Bioorg Med Chem Lett 7: 151-156 (1997) Article DOI: 10.1016/S0960-894X(96)00599-9 BindingDB Entry DOI: 10.7270/Q2474BBD
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50121334 (2-ethoxy-13,22-dimethyl-(2S,13R)-14-oxa-11,22-diaz...) Show SMILES CCO[C@]12Cc3c([nH]c4ccccc34)[C@]3(C)Oc4c5c(CC1N(C)CCC235)ccc4O |TLB:17:18:3:22.25.24,23:22:3:18.19.20,THB:2:3:18.19.20:22.25.24| Show InChI InChI=1S/C26H28N2O3/c1-4-30-26-14-17-16-7-5-6-8-18(16)27-23(17)24(2)25(26)11-12-28(3)20(26)13-15-9-10-19(29)22(31-24)21(15)25/h5-10,20,27,29H,4,11-14H2,1-3H3/t20?,24-,25?,26+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article	8.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of the platelet-derived growth factor receptor.				Bioorg Med Chem Lett 7: 151-156 (1997) Article DOI: 10.1016/S0960-894X(96)00599-9 BindingDB Entry DOI: 10.7270/Q2474BBD
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Rattus norvegicus (rat))	BDBM50121334 (2-ethoxy-13,22-dimethyl-(2S,13R)-14-oxa-11,22-diaz...) Show SMILES CCO[C@]12Cc3c([nH]c4ccccc34)[C@]3(C)Oc4c5c(CC1N(C)CCC235)ccc4O |TLB:17:18:3:22.25.24,23:22:3:18.19.20,THB:2:3:18.19.20:22.25.24| Show InChI InChI=1S/C26H28N2O3/c1-4-30-26-14-17-16-7-5-6-8-18(16)27-23(17)24(2)25(26)11-12-28(3)20(26)13-15-9-10-19(29)22(31-24)21(15)25/h5-10,20,27,29H,4,11-14H2,1-3H3/t20?,24-,25?,26+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article	286	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the binding affinity towards Opioid receptor kappa 1 in rat brain homogenates using [3H]U-69593 as radioligand				Bioorg Med Chem Lett 7: 151-156 (1997) Article DOI: 10.1016/S0960-894X(96)00599-9 BindingDB Entry DOI: 10.7270/Q2474BBD
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50121334 (2-ethoxy-13,22-dimethyl-(2S,13R)-14-oxa-11,22-diaz...) Show SMILES CCO[C@]12Cc3c([nH]c4ccccc34)[C@]3(C)Oc4c5c(CC1N(C)CCC235)ccc4O |TLB:17:18:3:22.25.24,23:22:3:18.19.20,THB:2:3:18.19.20:22.25.24| Show InChI InChI=1S/C26H28N2O3/c1-4-30-26-14-17-16-7-5-6-8-18(16)27-23(17)24(2)25(26)11-12-28(3)20(26)13-15-9-10-19(29)22(31-24)21(15)25/h5-10,20,27,29H,4,11-14H2,1-3H3/t20?,24-,25?,26+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article	715	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the binding affinity towards mu opioid receptor in rat brain homogenates using [3H]DAMGO as radioligand				Bioorg Med Chem Lett 7: 151-156 (1997) Article DOI: 10.1016/S0960-894X(96)00599-9 BindingDB Entry DOI: 10.7270/Q2474BBD
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50121334 (2-ethoxy-13,22-dimethyl-(2S,13R)-14-oxa-11,22-diaz...) Show SMILES CCO[C@]12Cc3c([nH]c4ccccc34)[C@]3(C)Oc4c5c(CC1N(C)CCC235)ccc4O |TLB:17:18:3:22.25.24,23:22:3:18.19.20,THB:2:3:18.19.20:22.25.24| Show InChI InChI=1S/C26H28N2O3/c1-4-30-26-14-17-16-7-5-6-8-18(16)27-23(17)24(2)25(26)11-12-28(3)20(26)13-15-9-10-19(29)22(31-24)21(15)25/h5-10,20,27,29H,4,11-14H2,1-3H3/t20?,24-,25?,26+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	n/a	104	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated in 3 determinations for the agonistic activity in the Opioid receptor delta 1 of mouse vas deferens				Bioorg Med Chem Lett 7: 151-156 (1997) Article DOI: 10.1016/S0960-894X(96)00599-9 BindingDB Entry DOI: 10.7270/Q2474BBD
					More data for this Ligand-Target Pair