BDBM50343254 (2S,4aR,6aR,7R,9S,10aS,10bR)-Methyl 9-acetoxy-2-(7-benzooxabicyclo[2.2.1]hepta-2,5-dien-2-yl)-6a,10b-dimethyl-4,10-dioxododecahydro-1H-benzo[f]isochromene-7-carboxylate::CHEMBL1773749

SMILES: COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)C1=CC2OC1c1ccccc21

InChI Key: InChIKey=KSRFIRGKIWPAQN-DPMGHXALSA-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 = 50343254   

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))	BDBM50343254 ((2S,4aR,6aR,7R,9S,10aS,10bR)-Methyl 9-acetoxy-2-(7...) Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)C1=CC2OC1c1ccccc21 |r,t:29,TLB:32:31:26.27:29,THB:35:36:26.27:29,22:26:29:36.31| Show InChI InChI=1S/C29H32O8/c1-14(30)35-21-12-19(26(32)34-4)28(2)10-9-18-27(33)37-22(13-29(18,3)25(28)23(21)31)17-11-20-15-7-5-6-8-16(15)24(17)36-20/h5-8,11,18-22,24-25H,9-10,12-13H2,1-4H3/t18-,19-,20?,21-,22-,24?,25-,28-,29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	790	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))	BDBM50343254 ((2S,4aR,6aR,7R,9S,10aS,10bR)-Methyl 9-acetoxy-2-(7...) Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)C1=CC2OC1c1ccccc21 |r,t:29,TLB:32:31:26.27:29,THB:35:36:26.27:29,22:26:29:36.31| Show InChI InChI=1S/C29H32O8/c1-14(30)35-21-12-19(26(32)34-4)28(2)10-9-18-27(33)37-22(13-29(18,3)25(28)23(21)31)17-11-20-15-7-5-6-8-16(15)24(17)36-20/h5-8,11,18-22,24-25H,9-10,12-13H2,1-4H3/t18-,19-,20?,21-,22-,24?,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	Article PubMed	>2.50E+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))	BDBM50343254 ((2S,4aR,6aR,7R,9S,10aS,10bR)-Methyl 9-acetoxy-2-(7...) Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)C1=CC2OC1c1ccccc21 |r,t:29,TLB:32:31:26.27:29,THB:35:36:26.27:29,22:26:29:36.31| Show InChI InChI=1S/C29H32O8/c1-14(30)35-21-12-19(26(32)34-4)28(2)10-9-18-27(33)37-22(13-29(18,3)25(28)23(21)31)17-11-20-15-7-5-6-8-16(15)24(17)36-20/h5-8,11,18-22,24-25H,9-10,12-13H2,1-4H3/t18-,19-,20?,21-,22-,24?,25-,28-,29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>1.00E+4	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