BDBM50142691 CHEMBL3758348

SMILES: [H][C@@]12Cc3ccc(O)c4O[C@@]5(CO)C(=O)CC[C@]1(O)[C@@]5(CCN2C)c34

InChI Key: InChIKey=TUCMKNSLNAOLIZ-BTPDRXCOSA-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 = 50142691   

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))	BDBM50142691 (CHEMBL3758348) Show SMILES [H][C@@]12Cc3ccc(O)c4O[C@@]5(CO)C(=O)CC[C@]1(O)[C@@]5(CCN2C)c34 |r,THB:23:22:3.24.2:17| Show InChI InChI=1S/C18H21NO5/c1-19-7-6-16-14-10-2-3-11(21)15(14)24-18(16,9-20)13(22)4-5-17(16,23)12(19)8-10/h2-3,12,20-21,23H,4-9H2,1H3/t12-,16-,17-,18+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cell membrane				Eur J Med Chem 108: 211-28 (2016) BindingDB Entry DOI: 10.7270/Q2R2137W
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50142691 (CHEMBL3758348) Show SMILES [H][C@@]12Cc3ccc(O)c4O[C@@]5(CO)C(=O)CC[C@]1(O)[C@@]5(CCN2C)c34 |r,THB:23:22:3.24.2:17| Show InChI InChI=1S/C18H21NO5/c1-19-7-6-16-14-10-2-3-11(21)15(14)24-18(16,9-20)13(22)4-5-17(16,23)12(19)8-10/h2-3,12,20-21,23H,4-9H2,1H3/t12-,16-,17-,18+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	208	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from human delta opioid receptor expressed in CHO cells				Eur J Med Chem 108: 211-28 (2016) BindingDB Entry DOI: 10.7270/Q2R2137W
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50142691 (CHEMBL3758348) Show SMILES [H][C@@]12Cc3ccc(O)c4O[C@@]5(CO)C(=O)CC[C@]1(O)[C@@]5(CCN2C)c34 |r,THB:23:22:3.24.2:17| Show InChI InChI=1S/C18H21NO5/c1-19-7-6-16-14-10-2-3-11(21)15(14)24-18(16,9-20)13(22)4-5-17(16,23)12(19)8-10/h2-3,12,20-21,23H,4-9H2,1H3/t12-,16-,17-,18+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	35	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Agonist activity at human mu opioid receptor expressed in CHO cells by [35S]GTP-gammaS binding assay				Eur J Med Chem 108: 211-28 (2016) BindingDB Entry DOI: 10.7270/Q2R2137W
					More data for this Ligand-Target Pair