null

SMILES: CCOC(=O)[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=KCKMARNZBFIEGS-XOKLNVNFSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50266420   

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))	BDBM50266420 ((2S,4aR,6aR,7R,9S,10aS,10bR)-2-ethyl 7-methyl 9-ac...) Show SMILES CCOC(=O)[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/C22H30O9/c1-6-29-20(27)15-10-22(4)12(19(26)31-15)7-8-21(3)13(18(25)28-5)9-14(30-11(2)23)16(24)17(21)22/h12-15,17H,6-10H2,1-5H3/t12-,13-,14-,15-,17-,21-,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	196	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McLean Hospital Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human KOPR expressed in CHO cells				Bioorg Med Chem 17: 1370-80 (2009) Article DOI: 10.1016/j.bmc.2008.12.012 BindingDB Entry DOI: 10.7270/Q25H7G4K
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50266420 ((2S,4aR,6aR,7R,9S,10aS,10bR)-2-ethyl 7-methyl 9-ac...) Show SMILES CCOC(=O)[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/C22H30O9/c1-6-29-20(27)15-10-22(4)12(19(26)31-15)7-8-21(3)13(18(25)28-5)9-14(30-11(2)23)16(24)17(21)22/h12-15,17H,6-10H2,1-5H3/t12-,13-,14-,15-,17-,21-,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	196	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The McLean Hospital Corporation; Temple University School of Medicine US Patent					Assay Description In vitro binding assay: The affinities of compounds for opioid receptors were determined by competitive inhibition of [3H]diprenorphine binding to ka...				US Patent US8492564 (2013) BindingDB Entry DOI: 10.7270/Q2NV9GW0
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50266420 ((2S,4aR,6aR,7R,9S,10aS,10bR)-2-ethyl 7-methyl 9-ac...) Show SMILES CCOC(=O)[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/C22H30O9/c1-6-29-20(27)15-10-22(4)12(19(26)31-15)7-8-21(3)13(18(25)28-5)9-14(30-11(2)23)16(24)17(21)22/h12-15,17H,6-10H2,1-5H3/t12-,13-,14-,15-,17-,21-,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McLean Hospital Curated by ChEMBL					Assay Description Binding affinity to rat MOPR expressed in CHO cells				Bioorg Med Chem 17: 1370-80 (2009) Article DOI: 10.1016/j.bmc.2008.12.012 BindingDB Entry DOI: 10.7270/Q25H7G4K
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50266420 ((2S,4aR,6aR,7R,9S,10aS,10bR)-2-ethyl 7-methyl 9-ac...) Show SMILES CCOC(=O)[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/C22H30O9/c1-6-29-20(27)15-10-22(4)12(19(26)31-15)7-8-21(3)13(18(25)28-5)9-14(30-11(2)23)16(24)17(21)22/h12-15,17H,6-10H2,1-5H3/t12-,13-,14-,15-,17-,21-,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McLean Hospital Curated by ChEMBL					Assay Description Binding affinity to mouse DOPR expressed in CHO cells				Bioorg Med Chem 17: 1370-80 (2009) Article DOI: 10.1016/j.bmc.2008.12.012 BindingDB Entry DOI: 10.7270/Q25H7G4K
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50266420 ((2S,4aR,6aR,7R,9S,10aS,10bR)-2-ethyl 7-methyl 9-ac...) Show SMILES CCOC(=O)[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/C22H30O9/c1-6-29-20(27)15-10-22(4)12(19(26)31-15)7-8-21(3)13(18(25)28-5)9-14(30-11(2)23)16(24)17(21)22/h12-15,17H,6-10H2,1-5H3/t12-,13-,14-,15-,17-,21-,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	508	n/a	n/a	n/a	n/a
McLean Hospital Curated by ChEMBL					Assay Description Agonist activity at human KOPR expressed in CHO cells assessed as enhancenment of [35S]GTPgammaS binding				Bioorg Med Chem 17: 1370-80 (2009) Article DOI: 10.1016/j.bmc.2008.12.012 BindingDB Entry DOI: 10.7270/Q25H7G4K
					More data for this Ligand-Target Pair