BDBM50216135 (1R,2R,4aR,5R,7S,8aR)-7-acetoxy-5-(methoxycarbonyl)-4a-methyl-8-oxo-1-(2-(tetrahydrofuran-3-yl)ethyl)-decahydronaphthalene-2-carboxylic acid::CHEMBL226677

SMILES: COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@@H]2[C@@](C)(CCC3CCOC3)[C@@H](CC[C@@]12C)C(O)=O

InChI Key: InChIKey=QHYAZYXYBWLSKF-QRHXQMMASA-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 = 50216135   

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))	BDBM50216135 ((1R,2R,4aR,5R,7S,8aR)-7-acetoxy-5-(methoxycarbonyl...) Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@@H]2[C@@](C)(CCC3CCOC3)[C@@H](CC[C@@]12C)C(O)=O Show InChI InChI=1S/C23H34O8/c1-13(24)31-17-11-16(21(28)29-4)23(3)9-6-15(20(26)27)22(2,19(23)18(17)25)8-5-14-7-10-30-12-14/h14-17,19H,5-12H2,1-4H3,(H,26,27)/t14?,15-,16-,17-,19+,22-,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	910	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 [125I]IOXY from human kappa opioid receptor expressed in CHO cells				J Med Chem 50: 3596-603 (2007) Article DOI: 10.1021/jm070393d BindingDB Entry DOI: 10.7270/Q2ZK5HH0
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50216135 ((1R,2R,4aR,5R,7S,8aR)-7-acetoxy-5-(methoxycarbonyl...) Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@@H]2[C@@](C)(CCC3CCOC3)[C@@H](CC[C@@]12C)C(O)=O Show InChI InChI=1S/C23H34O8/c1-13(24)31-17-11-16(21(28)29-4)23(3)9-6-15(20(26)27)22(2,19(23)18(17)25)8-5-14-7-10-30-12-14/h14-17,19H,5-12H2,1-4H3,(H,26,27)/t14?,15-,16-,17-,19+,22-,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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 [125I]IOXY from human delta opioid receptor expressed in CHO cells				J Med Chem 50: 3596-603 (2007) Article DOI: 10.1021/jm070393d BindingDB Entry DOI: 10.7270/Q2ZK5HH0
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50216135 ((1R,2R,4aR,5R,7S,8aR)-7-acetoxy-5-(methoxycarbonyl...) Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@@H]2[C@@](C)(CCC3CCOC3)[C@@H](CC[C@@]12C)C(O)=O Show InChI InChI=1S/C23H34O8/c1-13(24)31-17-11-16(21(28)29-4)23(3)9-6-15(20(26)27)22(2,19(23)18(17)25)8-5-14-7-10-30-12-14/h14-17,19H,5-12H2,1-4H3,(H,26,27)/t14?,15-,16-,17-,19+,22-,23-/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	>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 Antagonist activity at human mu opioid receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay				J Med Chem 50: 3596-603 (2007) Article DOI: 10.1021/jm070393d BindingDB Entry DOI: 10.7270/Q2ZK5HH0
					More data for this Ligand-Target Pair