BDBM50013387 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-yl 2-methylacrylate::CHEMBL163704

SMILES: CC(=C)C(=O)OC1CCC2(O)C3Cc4ccc(O)c5OC1[C@]2(CCN3CC1CC1)c45

InChI Key: InChIKey=XYCPEHAPRMZWKX-MKUMLKGRSA-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 = 50013387   

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))	BDBM50013387 (4-cyclopropylmethyl-10,17-dihydroxy-12-oxa-4-azape...) Show SMILES CC(=C)C(=O)OC1CCC2(O)C3Cc4ccc(O)c5OC1[C@]2(CCN3CC1CC1)c45 |THB:18:29:9:24.22.23,14:13:9:24.22.23| Show InChI InChI=1S/C24H29NO5/c1-13(2)22(27)29-17-7-8-24(28)18-11-15-5-6-16(26)20-19(15)23(24,21(17)30-20)9-10-25(18)12-14-3-4-14/h5-6,14,17-18,21,26,28H,1,3-4,7-12H2,2H3/t17?,18?,21?,23-,24?/m0/s1	PDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5	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)	BDBM50013387 (4-cyclopropylmethyl-10,17-dihydroxy-12-oxa-4-azape...) Show SMILES CC(=C)C(=O)OC1CCC2(O)C3Cc4ccc(O)c5OC1[C@]2(CCN3CC1CC1)c45 |THB:18:29:9:24.22.23,14:13:9:24.22.23| Show InChI InChI=1S/C24H29NO5/c1-13(2)22(27)29-17-7-8-24(28)18-11-15-5-6-16(26)20-19(15)23(24,21(17)30-20)9-10-25(18)12-14-3-4-14/h5-6,14,17-18,21,26,28H,1,3-4,7-12H2,2H3/t17?,18?,21?,23-,24?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	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