BDBM50025033 CHEMBL3337861

SMILES: [H][C@@]12C[C@@]3([H])[C@H](CC)CN1CC[C@@]21c2ccccc2N2\C=C4/[C@]5([H])N(\C=C3/[C@@]12[H])c1ccccc1[C@@]51CCN2C[C@@H](CCO)[C@]4([H])C[C@@]12[H]

InChI Key: InChIKey=QAVRQLXVMMTXOP-UPWLIYDMSA-N

Data: 2 IC50  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 4 hits for monomerid = 50025033   

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
Cholinergic, muscarinic (GUINEA PIG)	BDBM50025033 (CHEMBL3337861) Show SMILES [H][C@@]12C[C@@]3([H])[C@H](CC)CN1CC[C@@]21c2ccccc2N2\C=C4/[C@]5([H])N(\C=C3/[C@@]12[H])c1ccccc1[C@@]51CCN2C[C@@H](CCO)[C@]4([H])C[C@@]12[H] |r,c:23,t:28| Show InChI InChI=1S/C38H44N4O/c1-2-23-19-39-14-12-37-29-7-3-6-10-32(29)42-22-28-26-18-34-38(13-15-40(34)20-24(26)11-16-43)30-8-4-5-9-31(30)41(36(28)38)21-27(35(37)42)25(23)17-33(37)39/h3-10,21-26,33-36,43H,2,11-20H2,1H3/b27-21-,28-22-/t23-,24-,25+,26+,33?,34?,35+,36+,37-,38-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	410	n/a	n/a	n/a	n/a
The German University in Cairo Curated by ChEMBL					Assay Description Displacement of [3H]NMS from pig muscarinic M2 receptor after 120 mins by liquid scintillation counting				J Nat Prod 77: 2006-13 (2014) Article DOI: 10.1021/np500259j BindingDB Entry DOI: 10.7270/Q2H70HD8
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit (Homo sapiens (Human))	BDBM50025033 (CHEMBL3337861) Show SMILES [H][C@@]12C[C@@]3([H])[C@H](CC)CN1CC[C@@]21c2ccccc2N2\C=C4/[C@]5([H])N(\C=C3/[C@@]12[H])c1ccccc1[C@@]51CCN2C[C@@H](CCO)[C@]4([H])C[C@@]12[H] |r,c:23,t:28| Show InChI InChI=1S/C38H44N4O/c1-2-23-19-39-14-12-37-29-7-3-6-10-32(29)42-22-28-26-18-34-38(13-15-40(34)20-24(26)11-16-43)30-8-4-5-9-31(30)41(36(28)38)21-27(35(37)42)25(23)17-33(37)39/h3-10,21-26,33-36,43H,2,11-20H2,1H3/b27-21-,28-22-/t23-,24-,25+,26+,33?,34?,35+,36+,37-,38-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.34E+3	n/a	n/a	n/a	n/a	n/a	n/a
The German University in Cairo Curated by ChEMBL					Assay Description Antagonist activity at human alpha7 nAChR expressed in GH3 cells by Ca2+/Fluo-4 assay				J Nat Prod 77: 2006-13 (2014) Article DOI: 10.1021/np500259j BindingDB Entry DOI: 10.7270/Q2H70HD8
					More data for this Ligand-Target Pair
Cholinergic, muscarinic (GUINEA PIG)	BDBM50025033 (CHEMBL3337861) Show SMILES [H][C@@]12C[C@@]3([H])[C@H](CC)CN1CC[C@@]21c2ccccc2N2\C=C4/[C@]5([H])N(\C=C3/[C@@]12[H])c1ccccc1[C@@]51CCN2C[C@@H](CCO)[C@]4([H])C[C@@]12[H] |r,c:23,t:28| Show InChI InChI=1S/C38H44N4O/c1-2-23-19-39-14-12-37-29-7-3-6-10-32(29)42-22-28-26-18-34-38(13-15-40(34)20-24(26)11-16-43)30-8-4-5-9-31(30)41(36(28)38)21-27(35(37)42)25(23)17-33(37)39/h3-10,21-26,33-36,43H,2,11-20H2,1H3/b27-21-,28-22-/t23-,24-,25+,26+,33?,34?,35+,36+,37-,38-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	407	n/a	n/a	n/a	n/a
The German University in Cairo Curated by ChEMBL					Assay Description Displacement of [3H]NMS from pig muscarinic M2 receptor after 120 mins by liquid scintillation counting				J Nat Prod 77: 2006-13 (2014) Article DOI: 10.1021/np500259j BindingDB Entry DOI: 10.7270/Q2H70HD8
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit (Homo sapiens (Human))	BDBM50025033 (CHEMBL3337861) Show SMILES [H][C@@]12C[C@@]3([H])[C@H](CC)CN1CC[C@@]21c2ccccc2N2\C=C4/[C@]5([H])N(\C=C3/[C@@]12[H])c1ccccc1[C@@]51CCN2C[C@@H](CCO)[C@]4([H])C[C@@]12[H] |r,c:23,t:28| Show InChI InChI=1S/C38H44N4O/c1-2-23-19-39-14-12-37-29-7-3-6-10-32(29)42-22-28-26-18-34-38(13-15-40(34)20-24(26)11-16-43)30-8-4-5-9-31(30)41(36(28)38)21-27(35(37)42)25(23)17-33(37)39/h3-10,21-26,33-36,43H,2,11-20H2,1H3/b27-21-,28-22-/t23-,24-,25+,26+,33?,34?,35+,36+,37-,38-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
The German University in Cairo Curated by ChEMBL					Assay Description Antagonist activity at human alpha7 nAChR expressed in GH3 cells by Ca2+/Fluo-4 assay				J Nat Prod 77: 2006-13 (2014) Article DOI: 10.1021/np500259j BindingDB Entry DOI: 10.7270/Q2H70HD8
					More data for this Ligand-Target Pair