BDBM224020 6-Acetylmorphine

SMILES: CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4OC(C)=O)ccc5O

InChI Key: InChIKey=JJGYGPZNTOPXGV-SSTWWWIQSA-N

Data: 2 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 2 hits for monomerid = 224020   

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
Mas-related G protein-coupled receptor X2 (MRGPRX2) (Homo sapiens (Human))	BDBM224020 (6-Acetylmorphine) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4OC(C)=O)ccc5O |c:16| Show InChI InChI=1S/C19H21NO4/c1-10(21)23-15-6-4-12-13-9-11-3-5-14(22)17-16(11)19(12,18(15)24-17)7-8-20(13)2/h3-6,12-13,15,18,22H,7-9H2,1-2H3/t12-,13+,15-,18-,19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.20E+4	n/a	n/a	7.4	30
University of North Carolina					Assay Description HTLA cells (HEK-T cells stably expressing a β-arrestin2-TEV fusion protein and a tTa-dependent luciferase reporter) were maintained in DMEM (Cor...				Nat Chem Biol 13: 529-536 (2017) Article DOI: 10.1038/nchembio.2334 BindingDB Entry DOI: 10.7270/Q20R9N82
					More data for this Ligand-Target Pair
Mas-related G protein-coupled receptor X2 (MRGPRX2) (Homo sapiens (Human))	BDBM224020 (6-Acetylmorphine) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4OC(C)=O)ccc5O |c:16| Show InChI InChI=1S/C19H21NO4/c1-10(21)23-15-6-4-12-13-9-11-3-5-14(22)17-16(11)19(12,18(15)24-17)7-8-20(13)2/h3-6,12-13,15,18,22H,7-9H2,1-2H3/t12-,13+,15-,18-,19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.10E+4	n/a	n/a	7.4	30
University of North Carolina					Assay Description MRGPRX2 stable cells were maintained in DMEM containing 10% FBS, 100 μg/ml hygromycin B, and 15 μg/ml blasticidin. For the calcium mobiliza...				Nat Chem Biol 13: 529-536 (2017) Article DOI: 10.1038/nchembio.2334 BindingDB Entry DOI: 10.7270/Q20R9N82
					More data for this Ligand-Target Pair