BDBM50209214 CHEMBL388341::boldine methiodide

SMILES: COc1cc-2c(C[C@H]3c4c(CC[N+]3(C)C)cc(O)c(OC)c-24)cc1O

InChI Key: InChIKey=AQNSTJUVKAUYLL-AWEZNQCLSA-O

Data: 2 KI  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 4 hits for monomerid = 50209214   

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
Neuronal acetylcholine receptor Alpha-4/Beta-2 (Homo sapiens (Human))	BDBM50209214 (CHEMBL388341 | boldine methiodide) Show SMILES COc1cc-2c(C[C@H]3c4c(CC[N+]3(C)C)cc(O)c(OC)c-24)cc1O Show InChI InChI=1S/C20H23NO4/c1-21(2)6-5-11-8-16(23)20(25-4)19-13-10-17(24-3)15(22)9-12(13)7-14(21)18(11)19/h8-10,14H,5-7H2,1-4H3,(H-,22,23)/p+1/t14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Chile Curated by ChEMBL					Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in SH-EP1 cells				Bioorg Med Chem 15: 3368-72 (2007) Article DOI: 10.1016/j.bmc.2007.03.023 BindingDB Entry DOI: 10.7270/Q2G73DDV
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit (Homo sapiens (Human))	BDBM50209214 (CHEMBL388341 | boldine methiodide) Show SMILES COc1cc-2c(C[C@H]3c4c(CC[N+]3(C)C)cc(O)c(OC)c-24)cc1O Show InChI InChI=1S/C20H23NO4/c1-21(2)6-5-11-8-16(23)20(25-4)19-13-10-17(24-3)15(22)9-12(13)7-14(21)18(11)19/h8-10,14H,5-7H2,1-4H3,(H-,22,23)/p+1/t14-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Chile Curated by ChEMBL					Assay Description Displacement of [125I]alpha-bungarotoxin from human alpha7 nAChR expressed in SH-SY5Y cells				Bioorg Med Chem 15: 3368-72 (2007) Article DOI: 10.1016/j.bmc.2007.03.023 BindingDB Entry DOI: 10.7270/Q2G73DDV
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit (Homo sapiens (Human))	BDBM50209214 (CHEMBL388341 | boldine methiodide) Show SMILES COc1cc-2c(C[C@H]3c4c(CC[N+]3(C)C)cc(O)c(OC)c-24)cc1O Show InChI InChI=1S/C20H23NO4/c1-21(2)6-5-11-8-16(23)20(25-4)19-13-10-17(24-3)15(22)9-12(13)7-14(21)18(11)19/h8-10,14H,5-7H2,1-4H3,(H-,22,23)/p+1/t14-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Chile Curated by ChEMBL					Assay Description Displacement of [125I]alpha-bungarotoxin from human alpha7 nAChR expressed in SH-SY5Y cells				Bioorg Med Chem 15: 3368-72 (2007) Article DOI: 10.1016/j.bmc.2007.03.023 BindingDB Entry DOI: 10.7270/Q2G73DDV
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2 (Homo sapiens (Human))	BDBM50209214 (CHEMBL388341 | boldine methiodide) Show SMILES COc1cc-2c(C[C@H]3c4c(CC[N+]3(C)C)cc(O)c(OC)c-24)cc1O Show InChI InChI=1S/C20H23NO4/c1-21(2)6-5-11-8-16(23)20(25-4)19-13-10-17(24-3)15(22)9-12(13)7-14(21)18(11)19/h8-10,14H,5-7H2,1-4H3,(H-,22,23)/p+1/t14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Chile Curated by ChEMBL					Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in SH-EP1 cells				Bioorg Med Chem 15: 3368-72 (2007) Article DOI: 10.1016/j.bmc.2007.03.023 BindingDB Entry DOI: 10.7270/Q2G73DDV
					More data for this Ligand-Target Pair