BDBM224032 Thebaine

SMILES: COC1=CC=C2[C@H]3Cc4ccc(OC)c5O[C@@H]1[C@]2(CCN3C)c45

InChI Key: InChIKey=FQXXSQDCDRQNQE-VMDGZTHMSA-N

Data: 2 EC50

PDB links: 1 PDB ID matches this monomer.

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 = 224032   

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))	BDBM224032 (Thebaine) Show SMILES COC1=CC=C2[C@H]3Cc4ccc(OC)c5O[C@@H]1[C@]2(CCN3C)c45 |t:2,4,THB:21:20:5:22.8.7| Show InChI InChI=1S/C19H21NO3/c1-20-9-8-19-12-5-7-15(22-3)18(19)23-17-14(21-2)6-4-11(16(17)19)10-13(12)20/h4-7,13,18H,8-10H2,1-3H3/t13-,18+,19+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.10E+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))	BDBM224032 (Thebaine) Show SMILES COC1=CC=C2[C@H]3Cc4ccc(OC)c5O[C@@H]1[C@]2(CCN3C)c45 |t:2,4,THB:21:20:5:22.8.7| Show InChI InChI=1S/C19H21NO3/c1-20-9-8-19-12-5-7-15(22-3)18(19)23-17-14(21-2)6-4-11(16(17)19)10-13(12)20/h4-7,13,18H,8-10H2,1-3H3/t13-,18+,19+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	n/a	7.60E+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