BDBM50343256 (2S,4aR,6aR,7R,9S,10aS,10bR)-Methyl 9-acetoxy-2-(8,8a,9,12,12a,13-hexahydro-8-methyl-8,13:9,12-diepoxy-5H-dibenzo[3,4:6,7]cyclohept[1,2]naphthanen-5-on-10-yl)-6a,10bdimethyl-4,10-dioxododecahydro-1H-benzo[f]isochromene-7-carboxylate::CHEMBL1773751

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=CC2OC1C1C2C2OC1(C)c1c2c2ccccc2c(=O)c2ccccc12

InChI Key: InChIKey=KUDVXUBNZGTBHL-GEMOSIONSA-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 = 50343256   

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))	BDBM50343256 ((2S,4aR,6aR,7R,9S,10aS,10bR)-Methyl 9-acetoxy-2-(8...) 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=CC2OC1C1C2C2OC1(C)c1c2c2ccccc2c(=O)c2ccccc12 |r,t:29,TLB:22:26:29:31.32,30:31:34:37.38,33:32:27.26:29,52:37:31.32:34,THB:39:38:31.32:34| Show InChI InChI=1S/C43H42O10/c1-19(44)50-28-17-26(39(47)49-5)41(2)15-14-25-40(48)52-29(18-42(25,3)38(41)35(28)46)24-16-27-31-33(36(24)51-27)43(4)32-21-11-7-9-13-23(21)34(45)22-12-8-6-10-20(22)30(32)37(31)53-43/h6-13,16,25-29,31,33,36-38H,14-15,17-18H2,1-5H3/t25-,26-,27?,28-,29-,31?,33?,36?,37?,38-,41-,42-,43?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	290	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))	BDBM50343256 ((2S,4aR,6aR,7R,9S,10aS,10bR)-Methyl 9-acetoxy-2-(8...) 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=CC2OC1C1C2C2OC1(C)c1c2c2ccccc2c(=O)c2ccccc12 |r,t:29,TLB:22:26:29:31.32,30:31:34:37.38,33:32:27.26:29,52:37:31.32:34,THB:39:38:31.32:34| Show InChI InChI=1S/C43H42O10/c1-19(44)50-28-17-26(39(47)49-5)41(2)15-14-25-40(48)52-29(18-42(25,3)38(41)35(28)46)24-16-27-31-33(36(24)51-27)43(4)32-21-11-7-9-13-23(21)34(45)22-12-8-6-10-20(22)30(32)37(31)53-43/h6-13,16,25-29,31,33,36-38H,14-15,17-18H2,1-5H3/t25-,26-,27?,28-,29-,31?,33?,36?,37?,38-,41-,42-,43?/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	>1.70E+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))	BDBM50343256 ((2S,4aR,6aR,7R,9S,10aS,10bR)-Methyl 9-acetoxy-2-(8...) 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=CC2OC1C1C2C2OC1(C)c1c2c2ccccc2c(=O)c2ccccc12 |r,t:29,TLB:22:26:29:31.32,30:31:34:37.38,33:32:27.26:29,52:37:31.32:34,THB:39:38:31.32:34| Show InChI InChI=1S/C43H42O10/c1-19(44)50-28-17-26(39(47)49-5)41(2)15-14-25-40(48)52-29(18-42(25,3)38(41)35(28)46)24-16-27-31-33(36(24)51-27)43(4)32-21-11-7-9-13-23(21)34(45)22-12-8-6-10-20(22)30(32)37(31)53-43/h6-13,16,25-29,31,33,36-38H,14-15,17-18H2,1-5H3/t25-,26-,27?,28-,29-,31?,33?,36?,37?,38-,41-,42-,43?/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