BDBM50174032 CHEMBL3808835

SMILES: COc1ccccc1-c1ccc2c(CC[C@H](CN(C)C)[C@@]2(O)c2cccc(O)c2)c1

InChI Key: InChIKey=HTAYRDXHIXFQRU-RLWLMLJZSA-N

Data: 2 KI  1 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 3 hits for monomerid = 50174032   

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 (Homo sapiens (Human))	BDBM50174032 (CHEMBL3808835) Show SMILES COc1ccccc1-c1ccc2c(CC[C@H](CN(C)C)[C@@]2(O)c2cccc(O)c2)c1 |r| Show InChI InChI=1S/C26H29NO3/c1-27(2)17-21-13-11-19-15-18(23-9-4-5-10-25(23)30-3)12-14-24(19)26(21,29)20-7-6-8-22(28)16-20/h4-10,12,14-16,21,28-29H,11,13,17H2,1-3H3/t21-,26+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human MOR expressed in CHO cell membranes after 60 mins				ACS Med Chem Lett 7: 391-6 (2016) BindingDB Entry DOI: 10.7270/Q2R78H4W
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50174032 (CHEMBL3808835) Show SMILES COc1ccccc1-c1ccc2c(CC[C@H](CN(C)C)[C@@]2(O)c2cccc(O)c2)c1 |r| Show InChI InChI=1S/C26H29NO3/c1-27(2)17-21-13-11-19-15-18(23-9-4-5-10-25(23)30-3)12-14-24(19)26(21,29)20-7-6-8-22(28)16-20/h4-10,12,14-16,21,28-29H,11,13,17H2,1-3H3/t21-,26+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from human DOR expressed in CHO cell membranes after 60 mins				ACS Med Chem Lett 7: 391-6 (2016) BindingDB Entry DOI: 10.7270/Q2R78H4W
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50174032 (CHEMBL3808835) Show SMILES COc1ccccc1-c1ccc2c(CC[C@H](CN(C)C)[C@@]2(O)c2cccc(O)c2)c1 |r| Show InChI InChI=1S/C26H29NO3/c1-27(2)17-21-13-11-19-15-18(23-9-4-5-10-25(23)30-3)12-14-24(19)26(21,29)20-7-6-8-22(28)16-20/h4-10,12,14-16,21,28-29H,11,13,17H2,1-3H3/t21-,26+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	9.30	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Agonist activity at human DOR expressed in CHO cell membranes after 60 mins by [35S]GTP-gamma-S binding assay				ACS Med Chem Lett 7: 391-6 (2016) BindingDB Entry DOI: 10.7270/Q2R78H4W
					More data for this Ligand-Target Pair