BDBM50194391 ((2S,4aR,6aS,7R,9S,10aS,10bR)-9-acetoxy-2-(furan-3-yl)-6a,10b-dimethyl-4,10-dioxo-dodecahydro-1H-benzo[f]isochromen-7-yl)methyl cyclopropanecarboxylate::CHEMBL386185

SMILES: CC(=O)O[C@H]1C[C@@H](COC(=O)C2CC2)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1

InChI Key: InChIKey=HRVPJHUWDWAYIR-VHPHCEBOSA-N

Data: 1 KI  1 EC50

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 2 hits for monomerid = 50194391   

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))	BDBM50194391 (((2S,4aR,6aS,7R,9S,10aS,10bR)-9-acetoxy-2-(furan-3...) Show SMILES CC(=O)O[C@H]1C[C@@H](COC(=O)C2CC2)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1 Show InChI InChI=1S/C26H32O8/c1-14(27)33-19-10-17(13-32-23(29)15-4-5-15)25(2)8-6-18-24(30)34-20(16-7-9-31-12-16)11-26(18,3)22(25)21(19)28/h7,9,12,15,17-20,22H,4-6,8,10-11,13H2,1-3H3/t17-,18-,19-,20-,22-,25-,26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	221	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine binding from human kappa opioid receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 5498-502 (2006) Article DOI: 10.1016/j.bmcl.2006.08.051 BindingDB Entry DOI: 10.7270/Q2QN66CC
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50194391 (((2S,4aR,6aS,7R,9S,10aS,10bR)-9-acetoxy-2-(furan-3...) Show SMILES CC(=O)O[C@H]1C[C@@H](COC(=O)C2CC2)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1 Show InChI InChI=1S/C26H32O8/c1-14(27)33-19-10-17(13-32-23(29)15-4-5-15)25(2)8-6-18-24(30)34-20(16-7-9-31-12-16)11-26(18,3)22(25)21(19)28/h7,9,12,15,17-20,22H,4-6,8,10-11,13H2,1-3H3/t17-,18-,19-,20-,22-,25-,26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	358	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Binding potency at human kappa opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 16: 5498-502 (2006) Article DOI: 10.1016/j.bmcl.2006.08.051 BindingDB Entry DOI: 10.7270/Q2QN66CC
					More data for this Ligand-Target Pair