null

SMILES: C[C@H]1CN(CCOC(=O)[C@H]2Cc3ccc(O)cc3CN2)CC[C@@]1(C)c1cccc(O)c1

InChI Key: InChIKey=RMVLYZKVDFJSCC-FIMBPPNMSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50012150   

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 (Rattus norvegicus (rat))	BDBM50012150 (CHEMBL3264439) Show SMILES C[C@H]1CN(CCOC(=O)[C@H]2Cc3ccc(O)cc3CN2)CC[C@@]1(C)c1cccc(O)c1 |r| Show InChI InChI=1S/C25H32N2O4/c1-17-16-27(9-8-25(17,2)20-4-3-5-21(28)14-20)10-11-31-24(30)23-13-18-6-7-22(29)12-19(18)15-26-23/h3-7,12,14,17,23,26,28-29H,8-11,13,15-16H2,1-2H3/t17-,23+,25+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	98	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology Curated by ChEMBL					Assay Description Displacement of [3H]-diprenorphine from rat mu-opioid receptor in expressed in rat C6 cell membranes after 1 hr				Eur J Med Chem 141: 632-647 (2017) Article DOI: 10.1016/j.ejmech.2017.10.012 BindingDB Entry DOI: 10.7270/Q2V98BQ2
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50012150 (CHEMBL3264439) Show SMILES C[C@H]1CN(CCOC(=O)[C@H]2Cc3ccc(O)cc3CN2)CC[C@@]1(C)c1cccc(O)c1 |r| Show InChI InChI=1S/C25H32N2O4/c1-17-16-27(9-8-25(17,2)20-4-3-5-21(28)14-20)10-11-31-24(30)23-13-18-6-7-22(29)12-19(18)15-26-23/h3-7,12,14,17,23,26,28-29H,8-11,13,15-16H2,1-2H3/t17-,23+,25+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	135	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology Curated by ChEMBL					Assay Description Displacement of [3H]-diprenorphine from human kappa opioid receptor expressed in CHO cells after 1 hr				Eur J Med Chem 141: 632-647 (2017) Article DOI: 10.1016/j.ejmech.2017.10.012 BindingDB Entry DOI: 10.7270/Q2V98BQ2
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50012150 (CHEMBL3264439) Show SMILES C[C@H]1CN(CCOC(=O)[C@H]2Cc3ccc(O)cc3CN2)CC[C@@]1(C)c1cccc(O)c1 |r| Show InChI InChI=1S/C25H32N2O4/c1-17-16-27(9-8-25(17,2)20-4-3-5-21(28)14-20)10-11-31-24(30)23-13-18-6-7-22(29)12-19(18)15-26-23/h3-7,12,14,17,23,26,28-29H,8-11,13,15-16H2,1-2H3/t17-,23+,25+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	159	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from kappa opioid receptor (unknown origin) expressed in CHO cells membranes				Bioorg Med Chem Lett 24: 2021-32 (2014) Article DOI: 10.1016/j.bmcl.2014.03.040 BindingDB Entry DOI: 10.7270/Q2222WBX
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50012150 (CHEMBL3264439) Show SMILES C[C@H]1CN(CCOC(=O)[C@H]2Cc3ccc(O)cc3CN2)CC[C@@]1(C)c1cccc(O)c1 |r| Show InChI InChI=1S/C25H32N2O4/c1-17-16-27(9-8-25(17,2)20-4-3-5-21(28)14-20)10-11-31-24(30)23-13-18-6-7-22(29)12-19(18)15-26-23/h3-7,12,14,17,23,26,28-29H,8-11,13,15-16H2,1-2H3/t17-,23+,25+/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	186	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from mu opioid receptor (unknown origin) expressed in CHO cells membranes				Bioorg Med Chem Lett 24: 2021-32 (2014) Article DOI: 10.1016/j.bmcl.2014.03.040 BindingDB Entry DOI: 10.7270/Q2222WBX
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50012150 (CHEMBL3264439) Show SMILES C[C@H]1CN(CCOC(=O)[C@H]2Cc3ccc(O)cc3CN2)CC[C@@]1(C)c1cccc(O)c1 |r| Show InChI InChI=1S/C25H32N2O4/c1-17-16-27(9-8-25(17,2)20-4-3-5-21(28)14-20)10-11-31-24(30)23-13-18-6-7-22(29)12-19(18)15-26-23/h3-7,12,14,17,23,26,28-29H,8-11,13,15-16H2,1-2H3/t17-,23+,25+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	475	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from delta opioid receptor (unknown origin) expressed in CHO cells membranes				Bioorg Med Chem Lett 24: 2021-32 (2014) Article DOI: 10.1016/j.bmcl.2014.03.040 BindingDB Entry DOI: 10.7270/Q2222WBX
					More data for this Ligand-Target Pair