BDBM50343251 (2S,4aR,6aR,7R,9S,10aS,10bR)-Methyl 9-acetoxy-6a,10bdimethyl-2-(naphthalen-2-yl)-4,10-dioxododecahydro-1Hbenzo[f]isochromene-7-carboxylate::CHEMBL1773754

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)c1ccc2ccccc2c1

InChI Key: InChIKey=LTVHITHSFQIDTL-ZZIVESEQSA-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 = 50343251   

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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50343251 ((2S,4aR,6aR,7R,9S,10aS,10bR)-Methyl 9-acetoxy-6a,1...) 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)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C29H32O7/c1-16(30)35-22-14-21(26(32)34-4)28(2)12-11-20-27(33)36-23(15-29(20,3)25(28)24(22)31)19-10-9-17-7-5-6-8-18(17)13-19/h5-10,13,20-23,25H,11-12,14-15H2,1-4H3/t20-,21-,22-,23-,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	>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))	BDBM50343251 ((2S,4aR,6aR,7R,9S,10aS,10bR)-Methyl 9-acetoxy-6a,1...) 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)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C29H32O7/c1-16(30)35-22-14-21(26(32)34-4)28(2)12-11-20-27(33)36-23(15-29(20,3)25(28)24(22)31)19-10-9-17-7-5-6-8-18(17)13-19/h5-10,13,20-23,25H,11-12,14-15H2,1-4H3/t20-,21-,22-,23-,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	>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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50343251 ((2S,4aR,6aR,7R,9S,10aS,10bR)-Methyl 9-acetoxy-6a,1...) 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)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C29H32O7/c1-16(30)35-22-14-21(26(32)34-4)28(2)12-11-20-27(33)36-23(15-29(20,3)25(28)24(22)31)19-10-9-17-7-5-6-8-18(17)13-19/h5-10,13,20-23,25H,11-12,14-15H2,1-4H3/t20-,21-,22-,23-,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	>8.00E+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]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