null

SMILES: CC(C)CCN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O

InChI Key: InChIKey=BEVXSLFDRXFERL-SSNGLDLMSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50098676   

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 (MOUSE)	BDBM50098676 (17-(3-methylbutyl)-6,7-dehydro-4,5alpha-epoxy-3,14...) Show SMILES CC(C)CCN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O |TLB:28:13:16:5.7.6,11:12:16:5.7.6| Show InChI InChI=1S/C27H30N2O3/c1-15(2)9-11-29-12-10-26-22-16-7-8-20(30)24(22)32-25(26)23-18(14-27(26,31)21(29)13-16)17-5-3-4-6-19(17)28-23/h3-8,15,21,25,28,30-31H,9-14H2,1-2H3/t21?,25-,26-,27+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	4.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [3H]DADLE at delta-opioid receptor				J Med Chem 44: 1471-4 (2001) BindingDB Entry DOI: 10.7270/Q2PK0GVP
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50098676 (17-(3-methylbutyl)-6,7-dehydro-4,5alpha-epoxy-3,14...) Show SMILES CC(C)CCN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O |TLB:28:13:16:5.7.6,11:12:16:5.7.6| Show InChI InChI=1S/C27H30N2O3/c1-15(2)9-11-29-12-10-26-22-16-7-8-20(30)24(22)32-25(26)23-18(14-27(26,31)21(29)13-16)17-5-3-4-6-19(17)28-23/h3-8,15,21,25,28,30-31H,9-14H2,1-2H3/t21?,25-,26-,27+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	670	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [3H]U-69593 at opioid receptor kappa 1				J Med Chem 44: 1471-4 (2001) BindingDB Entry DOI: 10.7270/Q2PK0GVP
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50098676 (17-(3-methylbutyl)-6,7-dehydro-4,5alpha-epoxy-3,14...) Show SMILES CC(C)CCN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O |TLB:28:13:16:5.7.6,11:12:16:5.7.6| Show InChI InChI=1S/C27H30N2O3/c1-15(2)9-11-29-12-10-26-22-16-7-8-20(30)24(22)32-25(26)23-18(14-27(26,31)21(29)13-16)17-5-3-4-6-19(17)28-23/h3-8,15,21,25,28,30-31H,9-14H2,1-2H3/t21?,25-,26-,27+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO at mu-opioid receptor				J Med Chem 44: 1471-4 (2001) BindingDB Entry DOI: 10.7270/Q2PK0GVP
					More data for this Ligand-Target Pair