BDBM50343257 CHEMBL1773752::Diethyl 4-((2S,4aR,6aR,7R,9S,10aS,10bR)-9-acetoxy-7-(methoxycarbonyl)-6a,10b-dimethyl-4,10-dioxododecahydro-1H-benzo[f]isochromen-2-yl)phthalate

SMILES: CCOC(=O)c1ccc(cc1C(=O)OCC)[C@@H]1C[C@@]2(C)[C@@H](CC[C@@]3(C)[C@@H](C[C@H](OC(C)=O)C(=O)[C@H]23)C(=O)OC)C(=O)O1

InChI Key: InChIKey=YBRXYXZMDSIZKV-JUGOEGLNSA-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 = 50343257   

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))	BDBM50343257 (CHEMBL1773752 | Diethyl 4-((2S,4aR,6aR,7R,9S,10aS,...) Show SMILES CCOC(=O)c1ccc(cc1C(=O)OCC)[C@@H]1C[C@@]2(C)[C@@H](CC[C@@]3(C)[C@@H](C[C@H](OC(C)=O)C(=O)[C@H]23)C(=O)OC)C(=O)O1 |r| Show InChI InChI=1S/C31H38O11/c1-7-39-26(34)18-10-9-17(13-19(18)27(35)40-8-2)23-15-31(5)20(29(37)42-23)11-12-30(4)21(28(36)38-6)14-22(41-16(3)32)24(33)25(30)31/h9-10,13,20-23,25H,7-8,11-12,14-15H2,1-6H3/t20-,21-,22-,23-,25-,30-,31-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	228	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Iowa Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from kappa opioid receptor				J Nat Prod 74: 718-26 (2011) Article DOI: 10.1021/np1007872 BindingDB Entry DOI: 10.7270/Q2PR7W9V
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50343257 (CHEMBL1773752 | Diethyl 4-((2S,4aR,6aR,7R,9S,10aS,...) Show SMILES CCOC(=O)c1ccc(cc1C(=O)OCC)[C@@H]1C[C@@]2(C)[C@@H](CC[C@@]3(C)[C@@H](C[C@H](OC(C)=O)C(=O)[C@H]23)C(=O)OC)C(=O)O1 |r| Show InChI InChI=1S/C31H38O11/c1-7-39-26(34)18-10-9-17(13-19(18)27(35)40-8-2)23-15-31(5)20(29(37)42-23)11-12-30(4)21(28(36)38-6)14-22(41-16(3)32)24(33)25(30)31/h9-10,13,20-23,25H,7-8,11-12,14-15H2,1-6H3/t20-,21-,22-,23-,25-,30-,31-/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	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Iowa Curated by ChEMBL					Assay Description Agonist activity at mu opioid receptor assessed as stimulation of [35S]GTPgammaS binding				J Nat Prod 74: 718-26 (2011) Article DOI: 10.1021/np1007872 BindingDB Entry DOI: 10.7270/Q2PR7W9V
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50343257 (CHEMBL1773752 | Diethyl 4-((2S,4aR,6aR,7R,9S,10aS,...) Show SMILES CCOC(=O)c1ccc(cc1C(=O)OCC)[C@@H]1C[C@@]2(C)[C@@H](CC[C@@]3(C)[C@@H](C[C@H](OC(C)=O)C(=O)[C@H]23)C(=O)OC)C(=O)O1 |r| Show InChI InChI=1S/C31H38O11/c1-7-39-26(34)18-10-9-17(13-19(18)27(35)40-8-2)23-15-31(5)20(29(37)42-23)11-12-30(4)21(28(36)38-6)14-22(41-16(3)32)24(33)25(30)31/h9-10,13,20-23,25H,7-8,11-12,14-15H2,1-6H3/t20-,21-,22-,23-,25-,30-,31-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Iowa Curated by ChEMBL					Assay Description Displacement of [3H]DADLE from delta opioid receptor				J Nat Prod 74: 718-26 (2011) Article DOI: 10.1021/np1007872 BindingDB Entry DOI: 10.7270/Q2PR7W9V
					More data for this Ligand-Target Pair