BDBM50013385 CHEMBL166355::methyl 2-[4-cyclopropylmethyl-10,17-dihydroxy-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7,9,11(18)-trien-14-yloxymethyl]acrylate

SMILES: COC(=O)C(=C)COC1CCC2(O)C3Cc4ccc(O)c5OC1[C@]2(CCN3CC1CC1)c45

InChI Key: InChIKey=ZLKXBHFJETUNMU-JBFAYCCDSA-N

Data: 2 IC50

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 2 hits for monomerid = 50013385   

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
Opioid receptors; mu/kappa/delta (Homo sapiens (Human))	BDBM50013385 (CHEMBL166355 | methyl 2-[4-cyclopropylmethyl-10,17...) Show SMILES COC(=O)C(=C)COC1CCC2(O)C3Cc4ccc(O)c5OC1[C@]2(CCN3CC1CC1)c45 |THB:20:31:11:26.24.25,16:15:11:26.24.25| Show InChI InChI=1S/C25H31NO6/c1-14(23(28)30-2)13-31-18-7-8-25(29)19-11-16-5-6-17(27)21-20(16)24(25,22(18)32-21)9-10-26(19)12-15-3-4-15/h5-6,15,18-19,22,27,29H,1,3-4,7-13H2,2H3/t18?,19?,22?,24-,25?/m0/s1	PDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description In vitro binding affinity against Opioid receptors from bovine caudate nucleus determined in presence of [3H]- bremazocine (0.5 nM)				J Med Chem 33: 737-41 (1990) BindingDB Entry DOI: 10.7270/Q2SN09J6
					More data for this Ligand-Target Pair
Mu opioid receptor (CALF)	BDBM50013385 (CHEMBL166355 | methyl 2-[4-cyclopropylmethyl-10,17...) Show SMILES COC(=O)C(=C)COC1CCC2(O)C3Cc4ccc(O)c5OC1[C@]2(CCN3CC1CC1)c45 |THB:20:31:11:26.24.25,16:15:11:26.24.25| Show InChI InChI=1S/C25H31NO6/c1-14(23(28)30-2)13-31-18-7-8-25(29)19-11-16-5-6-17(27)21-20(16)24(25,22(18)32-21)9-10-26(19)12-15-3-4-15/h5-6,15,18-19,22,27,29H,1,3-4,7-13H2,2H3/t18?,19?,22?,24-,25?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.180	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description In vitro binding affinity against Opioid receptor mu 1 from bovine caudate nucleus determined in presence of [3H]DAGO (1 nM)				J Med Chem 33: 737-41 (1990) BindingDB Entry DOI: 10.7270/Q2SN09J6
					More data for this Ligand-Target Pair