BDBM50269284 (2S,4aS,6aR,7R,9S,10aS,10bR)-9-(Hexanoyloxy)-2-(3-furanyl)-dodecahydro-6a,10b-dimethyl-4,10-dioxo-2H-naphtho[2,1-c]pyran-7-carboxylic Acid Methyl Ester::CHEMBL498116

SMILES: CCCCCC(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1

InChI Key: InChIKey=GLJAGYKLNFFXBG-ASOMPUMUSA-N

Data: 3 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50269284   

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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50269284 ((2S,4aS,6aR,7R,9S,10aS,10bR)-9-(Hexanoyloxy)-2-(3-...) Show SMILES CCCCCC(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1 |r| Show InChI InChI=1S/C27H36O8/c1-5-6-7-8-21(28)34-19-13-18(24(30)32-4)26(2)11-9-17-25(31)35-20(16-10-12-33-15-16)14-27(17,3)23(26)22(19)29/h10,12,15,17-20,23H,5-9,11,13-14H2,1-4H3/t17-,18-,19-,20-,23-,26-,27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Iowa Curated by ChEMBL					Assay Description Displacement of [125]OXY from kappa opioid receptor				J Nat Prod 69: 914-8 (2006) Article DOI: 10.1021/np060094b BindingDB Entry DOI: 10.7270/Q28W3D22
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50269284 ((2S,4aS,6aR,7R,9S,10aS,10bR)-9-(Hexanoyloxy)-2-(3-...) Show SMILES CCCCCC(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1 |r| Show InChI InChI=1S/C27H36O8/c1-5-6-7-8-21(28)34-19-13-18(24(30)32-4)26(2)11-9-17-25(31)35-20(16-10-12-33-15-16)14-27(17,3)23(26)22(19)29/h10,12,15,17-20,23H,5-9,11,13-14H2,1-4H3/t17-,18-,19-,20-,23-,26-,27-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	520	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Iowa Curated by ChEMBL					Assay Description Displacement of [125]OXY from mu opioid receptor				J Nat Prod 69: 914-8 (2006) Article DOI: 10.1021/np060094b BindingDB Entry DOI: 10.7270/Q28W3D22
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50269284 ((2S,4aS,6aR,7R,9S,10aS,10bR)-9-(Hexanoyloxy)-2-(3-...) Show SMILES CCCCCC(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1 |r| Show InChI InChI=1S/C27H36O8/c1-5-6-7-8-21(28)34-19-13-18(24(30)32-4)26(2)11-9-17-25(31)35-20(16-10-12-33-15-16)14-27(17,3)23(26)22(19)29/h10,12,15,17-20,23H,5-9,11,13-14H2,1-4H3/t17-,18-,19-,20-,23-,26-,27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.24E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Iowa Curated by ChEMBL					Assay Description Displacement of [125]OXY from delta opioid receptor				J Nat Prod 69: 914-8 (2006) Article DOI: 10.1021/np060094b BindingDB Entry DOI: 10.7270/Q28W3D22
					More data for this Ligand-Target Pair