null

SMILES: CCCCCCN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O

InChI Key: InChIKey=IWSGNBBJILPDPI-OZCDKMRVSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50098672   

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)	BDBM50098672 (17-hexyl-6,7-dehydro-4,5alpha-epoxy-3,14-dihydroxy...) Show SMILES CCCCCCN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O |TLB:29:14:17:6.8.7,12:13:17:6.8.7| Show InChI InChI=1S/C28H32N2O3/c1-2-3-4-7-13-30-14-12-27-23-17-10-11-21(31)25(23)33-26(27)24-19(16-28(27,32)22(30)15-17)18-8-5-6-9-20(18)29-24/h5-6,8-11,22,26,29,31-32H,2-4,7,12-16H2,1H3/t22?,26-,27-,28+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	26	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))	BDBM50098672 (17-hexyl-6,7-dehydro-4,5alpha-epoxy-3,14-dihydroxy...) Show SMILES CCCCCCN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O |TLB:29:14:17:6.8.7,12:13:17:6.8.7| Show InChI InChI=1S/C28H32N2O3/c1-2-3-4-7-13-30-14-12-27-23-17-10-11-21(31)25(23)33-26(27)24-19(16-28(27,32)22(30)15-17)18-8-5-6-9-20(18)29-24/h5-6,8-11,22,26,29,31-32H,2-4,7,12-16H2,1H3/t22?,26-,27-,28+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	3.10E+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]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))	BDBM50098672 (17-hexyl-6,7-dehydro-4,5alpha-epoxy-3,14-dihydroxy...) Show SMILES CCCCCCN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O |TLB:29:14:17:6.8.7,12:13:17:6.8.7| Show InChI InChI=1S/C28H32N2O3/c1-2-3-4-7-13-30-14-12-27-23-17-10-11-21(31)25(23)33-26(27)24-19(16-28(27,32)22(30)15-17)18-8-5-6-9-20(18)29-24/h5-6,8-11,22,26,29,31-32H,2-4,7,12-16H2,1H3/t22?,26-,27-,28+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	4.60E+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