BDBM50171157 1-((3S,4aR,4bS,6S,8R,8aR,10aR)-6-Acetoxy-3-furan-3-yl-4a,8a-dimethyl-1,5-dioxo-dodecahydro-2-oxa-phenanthrene-8-carbonyl)-pyrrolidine-2-carboxylic acid benzyl ester::CHEMBL196096

SMILES: CC(=O)O[C@H]1C[C@@H](C(=O)N2CCCC2C(=O)OCc2ccccc2)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1

InChI Key: InChIKey=CRFSVMJCFVSIED-WTTFTKPOSA-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 = 50171157   

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))	BDBM50171157 (1-((3S,4aR,4bS,6S,8R,8aR,10aR)-6-Acetoxy-3-furan-3...) Show SMILES CC(=O)O[C@H]1C[C@@H](C(=O)N2CCCC2C(=O)OCc2ccccc2)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1 Show InChI InChI=1S/C34H39NO9/c1-20(36)43-26-16-24(30(38)35-14-7-10-25(35)32(40)42-18-21-8-5-4-6-9-21)33(2)13-11-23-31(39)44-27(22-12-15-41-19-22)17-34(23,3)29(33)28(26)37/h4-6,8-9,12,15,19,23-27,29H,7,10-11,13-14,16-18H2,1-3H3/t23-,24-,25?,26-,27-,29-,33-,34-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Binding affinity for 1 uM [3H]-diprenorphine against human Opioid receptor kappa expressed in chinese hamster ovary cells (CHO cells)				Bioorg Med Chem Lett 15: 4169-73 (2005) Article DOI: 10.1016/j.bmcl.2005.06.092 BindingDB Entry DOI: 10.7270/Q2BP02BX
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50171157 (1-((3S,4aR,4bS,6S,8R,8aR,10aR)-6-Acetoxy-3-furan-3...) Show SMILES CC(=O)O[C@H]1C[C@@H](C(=O)N2CCCC2C(=O)OCc2ccccc2)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1 Show InChI InChI=1S/C34H39NO9/c1-20(36)43-26-16-24(30(38)35-14-7-10-25(35)32(40)42-18-21-8-5-4-6-9-21)33(2)13-11-23-31(39)44-27(22-12-15-41-19-22)17-34(23,3)29(33)28(26)37/h4-6,8-9,12,15,19,23-27,29H,7,10-11,13-14,16-18H2,1-3H3/t23-,24-,25?,26-,27-,29-,33-,34-/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	348	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Concentration required to enhance [35S]-GTP-gammaS, binding to human Opioid receptor kappa expressed in CHO cells				Bioorg Med Chem Lett 15: 4169-73 (2005) Article DOI: 10.1016/j.bmcl.2005.06.092 BindingDB Entry DOI: 10.7270/Q2BP02BX
					More data for this Ligand-Target Pair