BDBM50010657 CHEMBL3264746

SMILES: [H][C@]12O[C@]34CC[C@@]5(OCOc6c(O)ccc7C[C@@]3([H])N(CCc3ccccc3)CC[C@]4(c67)[C@]15[H])N(Cc1ccccc1)C2=O

InChI Key: InChIKey=BOWOPEVIHUYMAZ-KRGIVBCISA-N

Data: 3 KI  5 EC50

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 8 hits for monomerid = 50010657   

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
Delta-type opioid receptor (MOUSE)	BDBM50010657 (CHEMBL3264746) Show SMILES [H][C@]12O[C@]34CC[C@@]5(OCOc6c(O)ccc7C[C@@]3([H])N(CCc3ccccc3)CC[C@]4(c67)[C@]15[H])N(Cc1ccccc1)C2=O |r,TLB:20:19:3:31.15.16,THB:7:6:30:1.2| Show InChI InChI=1S/C34H34N2O5/c37-25-12-11-24-19-26-33-14-15-34-30(29(41-33)31(38)36(34)20-23-9-5-2-6-10-23)32(33,27(24)28(25)39-21-40-34)16-18-35(26)17-13-22-7-3-1-4-8-22/h1-12,26,29-30,37H,13-21H2/t26-,29+,30+,32+,33-,34+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from delta opioid receptor in mouse whole brain cerebellum membrane				ACS Med Chem Lett 5: 368-72 (2014) Article DOI: 10.1021/ml400491k BindingDB Entry DOI: 10.7270/Q2GF0W23
					More data for this Ligand-Target Pair
Mu-type opioid receptor (MOUSE)	BDBM50010657 (CHEMBL3264746) Show SMILES [H][C@]12O[C@]34CC[C@@]5(OCOc6c(O)ccc7C[C@@]3([H])N(CCc3ccccc3)CC[C@]4(c67)[C@]15[H])N(Cc1ccccc1)C2=O |r,TLB:20:19:3:31.15.16,THB:7:6:30:1.2| Show InChI InChI=1S/C34H34N2O5/c37-25-12-11-24-19-26-33-14-15-34-30(29(41-33)31(38)36(34)20-23-9-5-2-6-10-23)32(33,27(24)28(25)39-21-40-34)16-18-35(26)17-13-22-7-3-1-4-8-22/h1-12,26,29-30,37H,13-21H2/t26-,29+,30+,32+,33-,34+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in mouse whole brain cerebellum membrane				ACS Med Chem Lett 5: 368-72 (2014) Article DOI: 10.1021/ml400491k BindingDB Entry DOI: 10.7270/Q2GF0W23
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50010657 (CHEMBL3264746) Show SMILES [H][C@]12O[C@]34CC[C@@]5(OCOc6c(O)ccc7C[C@@]3([H])N(CCc3ccccc3)CC[C@]4(c67)[C@]15[H])N(Cc1ccccc1)C2=O |r,TLB:20:19:3:31.15.16,THB:7:6:30:1.2| Show InChI InChI=1S/C34H34N2O5/c37-25-12-11-24-19-26-33-14-15-34-30(29(41-33)31(38)36(34)20-23-9-5-2-6-10-23)32(33,27(24)28(25)39-21-40-34)16-18-35(26)17-13-22-7-3-1-4-8-22/h1-12,26,29-30,37H,13-21H2/t26-,29+,30+,32+,33-,34+/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	588	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cerebellum membrane				ACS Med Chem Lett 5: 368-72 (2014) Article DOI: 10.1021/ml400491k BindingDB Entry DOI: 10.7270/Q2GF0W23
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50010657 (CHEMBL3264746) Show SMILES [H][C@]12O[C@]34CC[C@@]5(OCOc6c(O)ccc7C[C@@]3([H])N(CCc3ccccc3)CC[C@]4(c67)[C@]15[H])N(Cc1ccccc1)C2=O |r,TLB:20:19:3:31.15.16,THB:7:6:30:1.2| Show InChI InChI=1S/C34H34N2O5/c37-25-12-11-24-19-26-33-14-15-34-30(29(41-33)31(38)36(34)20-23-9-5-2-6-10-23)32(33,27(24)28(25)39-21-40-34)16-18-35(26)17-13-22-7-3-1-4-8-22/h1-12,26,29-30,37H,13-21H2/t26-,29+,30+,32+,33-,34+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	21	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Agonist activity at human delta opioid receptor expressed in HEK293 cells by CellKey method				ACS Med Chem Lett 5: 368-72 (2014) Article DOI: 10.1021/ml400491k BindingDB Entry DOI: 10.7270/Q2GF0W23
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50010657 (CHEMBL3264746) Show SMILES [H][C@]12O[C@]34CC[C@@]5(OCOc6c(O)ccc7C[C@@]3([H])N(CCc3ccccc3)CC[C@]4(c67)[C@]15[H])N(Cc1ccccc1)C2=O |r,TLB:20:19:3:31.15.16,THB:7:6:30:1.2| Show InChI InChI=1S/C34H34N2O5/c37-25-12-11-24-19-26-33-14-15-34-30(29(41-33)31(38)36(34)20-23-9-5-2-6-10-23)32(33,27(24)28(25)39-21-40-34)16-18-35(26)17-13-22-7-3-1-4-8-22/h1-12,26,29-30,37H,13-21H2/t26-,29+,30+,32+,33-,34+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	639	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Agonist activity at human mu opioid receptor expressed in HEK293 cells by CellKey method				ACS Med Chem Lett 5: 368-72 (2014) Article DOI: 10.1021/ml400491k BindingDB Entry DOI: 10.7270/Q2GF0W23
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50010657 (CHEMBL3264746) Show SMILES [H][C@]12O[C@]34CC[C@@]5(OCOc6c(O)ccc7C[C@@]3([H])N(CCc3ccccc3)CC[C@]4(c67)[C@]15[H])N(Cc1ccccc1)C2=O |r,TLB:20:19:3:31.15.16,THB:7:6:30:1.2| Show InChI InChI=1S/C34H34N2O5/c37-25-12-11-24-19-26-33-14-15-34-30(29(41-33)31(38)36(34)20-23-9-5-2-6-10-23)32(33,27(24)28(25)39-21-40-34)16-18-35(26)17-13-22-7-3-1-4-8-22/h1-12,26,29-30,37H,13-21H2/t26-,29+,30+,32+,33-,34+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	9.20	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Agonist activity at human delta opioid receptor expressed in CHO cells assessed as [35S]-GTP[gammaS] binding				ACS Med Chem Lett 5: 368-72 (2014) Article DOI: 10.1021/ml400491k BindingDB Entry DOI: 10.7270/Q2GF0W23
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50010657 (CHEMBL3264746) Show SMILES [H][C@]12O[C@]34CC[C@@]5(OCOc6c(O)ccc7C[C@@]3([H])N(CCc3ccccc3)CC[C@]4(c67)[C@]15[H])N(Cc1ccccc1)C2=O |r,TLB:20:19:3:31.15.16,THB:7:6:30:1.2| Show InChI InChI=1S/C34H34N2O5/c37-25-12-11-24-19-26-33-14-15-34-30(29(41-33)31(38)36(34)20-23-9-5-2-6-10-23)32(33,27(24)28(25)39-21-40-34)16-18-35(26)17-13-22-7-3-1-4-8-22/h1-12,26,29-30,37H,13-21H2/t26-,29+,30+,32+,33-,34+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.25E+4	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Agonist activity at human kappa opioid receptor expressed in HEK293 cells by CellKey method				ACS Med Chem Lett 5: 368-72 (2014) Article DOI: 10.1021/ml400491k BindingDB Entry DOI: 10.7270/Q2GF0W23
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50010657 (CHEMBL3264746) Show SMILES [H][C@]12O[C@]34CC[C@@]5(OCOc6c(O)ccc7C[C@@]3([H])N(CCc3ccccc3)CC[C@]4(c67)[C@]15[H])N(Cc1ccccc1)C2=O |r,TLB:20:19:3:31.15.16,THB:7:6:30:1.2| Show InChI InChI=1S/C34H34N2O5/c37-25-12-11-24-19-26-33-14-15-34-30(29(41-33)31(38)36(34)20-23-9-5-2-6-10-23)32(33,27(24)28(25)39-21-40-34)16-18-35(26)17-13-22-7-3-1-4-8-22/h1-12,26,29-30,37H,13-21H2/t26-,29+,30+,32+,33-,34+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.30	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Agonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]-GTP[gammaS] binding				ACS Med Chem Lett 5: 368-72 (2014) Article DOI: 10.1021/ml400491k BindingDB Entry DOI: 10.7270/Q2GF0W23
					More data for this Ligand-Target Pair