BDBM50269293 (2S,4aS,6aR,7R,9S,10aS,10bR)-9-(Phenylacetyloxy)-2-(3-furanyl)-dodecahydro-6a,10b-dimethyl-4,10-dioxo-2H-naphtho[2,1-c]pyran-7-carboxylic Acid Methyl Ester::CHEMBL499315

SMILES: COC(=O)[C@@H]1C[C@H](OC(=O)Cc2ccccc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1

InChI Key: InChIKey=RSHBENYJPBXWBU-MGRBCCQOSA-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 = 50269293   

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))	BDBM50269293 ((2S,4aS,6aR,7R,9S,10aS,10bR)-9-(Phenylacetyloxy)-2...) Show SMILES COC(=O)[C@@H]1C[C@H](OC(=O)Cc2ccccc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r| Show InChI InChI=1S/C29H32O8/c1-28-11-9-19-27(33)37-22(18-10-12-35-16-18)15-29(19,2)25(28)24(31)21(14-20(28)26(32)34-3)36-23(30)13-17-7-5-4-6-8-17/h4-8,10,12,16,19-22,25H,9,11,13-15H2,1-3H3/t19-,20-,21-,22-,25-,28-,29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	290	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))	BDBM50269293 ((2S,4aS,6aR,7R,9S,10aS,10bR)-9-(Phenylacetyloxy)-2...) Show SMILES COC(=O)[C@@H]1C[C@H](OC(=O)Cc2ccccc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r| Show InChI InChI=1S/C29H32O8/c1-28-11-9-19-27(33)37-22(18-10-12-35-16-18)15-29(19,2)25(28)24(31)21(14-20(28)26(32)34-3)36-23(30)13-17-7-5-4-6-8-17/h4-8,10,12,16,19-22,25H,9,11,13-15H2,1-3H3/t19-,20-,21-,22-,25-,28-,29-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.09E+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 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))	BDBM50269293 ((2S,4aS,6aR,7R,9S,10aS,10bR)-9-(Phenylacetyloxy)-2...) Show SMILES COC(=O)[C@@H]1C[C@H](OC(=O)Cc2ccccc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r| Show InChI InChI=1S/C29H32O8/c1-28-11-9-19-27(33)37-22(18-10-12-35-16-18)15-29(19,2)25(28)24(31)21(14-20(28)26(32)34-3)36-23(30)13-17-7-5-4-6-8-17/h4-8,10,12,16,19-22,25H,9,11,13-15H2,1-3H3/t19-,20-,21-,22-,25-,28-,29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	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