BDBM50010653 CHEMBL3264743

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

InChI Key: InChIKey=GMYGREYAJXZCDV-VXDHFRBISA-N

Data: 3 KI  6 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 9 hits for monomerid = 50010653   

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)	BDBM50010653 (CHEMBL3264743) Show SMILES [H][C@]12O[C@]34CC[C@@]5(OCOc6c(O)ccc7C[C@@]3([H])N(C)CC[C@]4(c67)[C@]15[H])N(Cc1ccccc1)C2=O |r,TLB:20:19:3:24.15.16,THB:7:6:23:1.2| Show InChI InChI=1S/C27H28N2O5/c1-28-12-11-25-20-17-7-8-18(30)21(20)32-15-33-27-10-9-26(25,19(28)13-17)34-22(23(25)27)24(31)29(27)14-16-5-3-2-4-6-16/h2-8,19,22-23,30H,9-15H2,1H3/t19-,22+,23+,25+,26-,27+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.90	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)	BDBM50010653 (CHEMBL3264743) Show SMILES [H][C@]12O[C@]34CC[C@@]5(OCOc6c(O)ccc7C[C@@]3([H])N(C)CC[C@]4(c67)[C@]15[H])N(Cc1ccccc1)C2=O |r,TLB:20:19:3:24.15.16,THB:7:6:23:1.2| Show InChI InChI=1S/C27H28N2O5/c1-28-12-11-25-20-17-7-8-18(30)21(20)32-15-33-27-10-9-26(25,19(28)13-17)34-22(23(25)27)24(31)29(27)14-16-5-3-2-4-6-16/h2-8,19,22-23,30H,9-15H2,1H3/t19-,22+,23+,25+,26-,27+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	23	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))	BDBM50010653 (CHEMBL3264743) Show SMILES [H][C@]12O[C@]34CC[C@@]5(OCOc6c(O)ccc7C[C@@]3([H])N(C)CC[C@]4(c67)[C@]15[H])N(Cc1ccccc1)C2=O |r,TLB:20:19:3:24.15.16,THB:7:6:23:1.2| Show InChI InChI=1S/C27H28N2O5/c1-28-12-11-25-20-17-7-8-18(30)21(20)32-15-33-27-10-9-26(25,19(28)13-17)34-22(23(25)27)24(31)29(27)14-16-5-3-2-4-6-16/h2-8,19,22-23,30H,9-15H2,1H3/t19-,22+,23+,25+,26-,27+/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	200	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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50010653 (CHEMBL3264743) Show SMILES [H][C@]12O[C@]34CC[C@@]5(OCOc6c(O)ccc7C[C@@]3([H])N(C)CC[C@]4(c67)[C@]15[H])N(Cc1ccccc1)C2=O |r,TLB:20:19:3:24.15.16,THB:7:6:23:1.2| Show InChI InChI=1S/C27H28N2O5/c1-28-12-11-25-20-17-7-8-18(30)21(20)32-15-33-27-10-9-26(25,19(28)13-17)34-22(23(25)27)24(31)29(27)14-16-5-3-2-4-6-16/h2-8,19,22-23,30H,9-15H2,1H3/t19-,22+,23+,25+,26-,27+/m1/s1	PDB NCI pathway 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	1.35E+3	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))	BDBM50010653 (CHEMBL3264743) Show SMILES [H][C@]12O[C@]34CC[C@@]5(OCOc6c(O)ccc7C[C@@]3([H])N(C)CC[C@]4(c67)[C@]15[H])N(Cc1ccccc1)C2=O |r,TLB:20:19:3:24.15.16,THB:7:6:23:1.2| Show InChI InChI=1S/C27H28N2O5/c1-28-12-11-25-20-17-7-8-18(30)21(20)32-15-33-27-10-9-26(25,19(28)13-17)34-22(23(25)27)24(31)29(27)14-16-5-3-2-4-6-16/h2-8,19,22-23,30H,9-15H2,1H3/t19-,22+,23+,25+,26-,27+/m1/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	141	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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50010653 (CHEMBL3264743) Show SMILES [H][C@]12O[C@]34CC[C@@]5(OCOc6c(O)ccc7C[C@@]3([H])N(C)CC[C@]4(c67)[C@]15[H])N(Cc1ccccc1)C2=O |r,TLB:20:19:3:24.15.16,THB:7:6:23:1.2| Show InChI InChI=1S/C27H28N2O5/c1-28-12-11-25-20-17-7-8-18(30)21(20)32-15-33-27-10-9-26(25,19(28)13-17)34-22(23(25)27)24(31)29(27)14-16-5-3-2-4-6-16/h2-8,19,22-23,30H,9-15H2,1H3/t19-,22+,23+,25+,26-,27+/m1/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	478	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Agonist activity at human kappa 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))	BDBM50010653 (CHEMBL3264743) Show SMILES [H][C@]12O[C@]34CC[C@@]5(OCOc6c(O)ccc7C[C@@]3([H])N(C)CC[C@]4(c67)[C@]15[H])N(Cc1ccccc1)C2=O |r,TLB:20:19:3:24.15.16,THB:7:6:23:1.2| Show InChI InChI=1S/C27H28N2O5/c1-28-12-11-25-20-17-7-8-18(30)21(20)32-15-33-27-10-9-26(25,19(28)13-17)34-22(23(25)27)24(31)29(27)14-16-5-3-2-4-6-16/h2-8,19,22-23,30H,9-15H2,1H3/t19-,22+,23+,25+,26-,27+/m1/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	307	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))	BDBM50010653 (CHEMBL3264743) Show SMILES [H][C@]12O[C@]34CC[C@@]5(OCOc6c(O)ccc7C[C@@]3([H])N(C)CC[C@]4(c67)[C@]15[H])N(Cc1ccccc1)C2=O |r,TLB:20:19:3:24.15.16,THB:7:6:23:1.2| Show InChI InChI=1S/C27H28N2O5/c1-28-12-11-25-20-17-7-8-18(30)21(20)32-15-33-27-10-9-26(25,19(28)13-17)34-22(23(25)27)24(31)29(27)14-16-5-3-2-4-6-16/h2-8,19,22-23,30H,9-15H2,1H3/t19-,22+,23+,25+,26-,27+/m1/s1	PDB NCI pathway 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	113	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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50010653 (CHEMBL3264743) Show SMILES [H][C@]12O[C@]34CC[C@@]5(OCOc6c(O)ccc7C[C@@]3([H])N(C)CC[C@]4(c67)[C@]15[H])N(Cc1ccccc1)C2=O |r,TLB:20:19:3:24.15.16,THB:7:6:23:1.2| Show InChI InChI=1S/C27H28N2O5/c1-28-12-11-25-20-17-7-8-18(30)21(20)32-15-33-27-10-9-26(25,19(28)13-17)34-22(23(25)27)24(31)29(27)14-16-5-3-2-4-6-16/h2-8,19,22-23,30H,9-15H2,1H3/t19-,22+,23+,25+,26-,27+/m1/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	11	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