BDBM50025040 CHEMBL3355098

SMILES: [Br-].[Br-].[H][C@]12N3\C=C4/[C@]5([H])N(\C=C1\[C@@]1([H])C[C@@]6([H])[C@@]2(CC[N+]6(Cc2ccc(cc2)[N+]([O-])=O)C[C@H]1CC)c1ccccc31)c1ccccc1[C@@]51CC[N+]2(Cc3ccc(cc3)[N+]([O-])=O)C[C@@H](CC)[C@]4([H])C[C@@]12[H]

InChI Key: InChIKey=INEXDFNNPUNNJK-RRALPRJSSA-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 = 50025040   

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 protein alpha-7 subunit (Homo sapiens (Human))	BDBM50025040 (CHEMBL3355098) Show SMILES [Br-].[Br-].[H][C@]12N3\C=C4/[C@]5([H])N(\C=C1\[C@@]1([H])C[C@@]6([H])[C@@]2(CC[N+]6(Cc2ccc(cc2)[N+]([O-])=O)C[C@H]1CC)c1ccccc31)c1ccccc1[C@@]51CC[N+]2(Cc3ccc(cc3)[N+]([O-])=O)C[C@@H](CC)[C@]4([H])C[C@@]12[H] |r,c:3,8| Show InChI InChI=1S/C52H56N6O4/c1-3-35-31-57(29-33-13-17-37(18-14-33)55(59)60)23-21-51-43-9-5-8-12-46(43)54-28-42-40-26-48-52(22-24-58(48,32-36(40)4-2)30-34-15-19-38(20-16-34)56(61)62)44-10-6-7-11-45(44)53(50(42)52)27-41(49(51)54)39(35)25-47(51)57/h5-20,27-28,35-36,39-40,47-50H,3-4,21-26,29-32H2,1-2H3/q+2/b41-27-,42-28-/t35-,36-,39+,40+,47?,48?,49+,50+,51-,52-,57?,58?/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+4	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)	BDBM50025040 (CHEMBL3355098) Show SMILES [Br-].[Br-].[H][C@]12N3\C=C4/[C@]5([H])N(\C=C1\[C@@]1([H])C[C@@]6([H])[C@@]2(CC[N+]6(Cc2ccc(cc2)[N+]([O-])=O)C[C@H]1CC)c1ccccc31)c1ccccc1[C@@]51CC[N+]2(Cc3ccc(cc3)[N+]([O-])=O)C[C@@H](CC)[C@]4([H])C[C@@]12[H] |r,c:3,8| Show InChI InChI=1S/C52H56N6O4/c1-3-35-31-57(29-33-13-17-37(18-14-33)55(59)60)23-21-51-43-9-5-8-12-46(43)54-28-42-40-26-48-52(22-24-58(48,32-36(40)4-2)30-34-15-19-38(20-16-34)56(61)62)44-10-6-7-11-45(44)53(50(42)52)27-41(49(51)54)39(35)25-47(51)57/h5-20,27-28,35-36,39-40,47-50H,3-4,21-26,29-32H2,1-2H3/q+2/b41-27-,42-28-/t35-,36-,39+,40+,47?,48?,49+,50+,51-,52-,57?,58?/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	49	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))	BDBM50025040 (CHEMBL3355098) Show SMILES [Br-].[Br-].[H][C@]12N3\C=C4/[C@]5([H])N(\C=C1\[C@@]1([H])C[C@@]6([H])[C@@]2(CC[N+]6(Cc2ccc(cc2)[N+]([O-])=O)C[C@H]1CC)c1ccccc31)c1ccccc1[C@@]51CC[N+]2(Cc3ccc(cc3)[N+]([O-])=O)C[C@@H](CC)[C@]4([H])C[C@@]12[H] |r,c:3,8| Show InChI InChI=1S/C52H56N6O4/c1-3-35-31-57(29-33-13-17-37(18-14-33)55(59)60)23-21-51-43-9-5-8-12-46(43)54-28-42-40-26-48-52(22-24-58(48,32-36(40)4-2)30-34-15-19-38(20-16-34)56(61)62)44-10-6-7-11-45(44)53(50(42)52)27-41(49(51)54)39(35)25-47(51)57/h5-20,27-28,35-36,39-40,47-50H,3-4,21-26,29-32H2,1-2H3/q+2/b41-27-,42-28-/t35-,36-,39+,40+,47?,48?,49+,50+,51-,52-,57?,58?/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.14E+4	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)	BDBM50025040 (CHEMBL3355098) Show SMILES [Br-].[Br-].[H][C@]12N3\C=C4/[C@]5([H])N(\C=C1\[C@@]1([H])C[C@@]6([H])[C@@]2(CC[N+]6(Cc2ccc(cc2)[N+]([O-])=O)C[C@H]1CC)c1ccccc31)c1ccccc1[C@@]51CC[N+]2(Cc3ccc(cc3)[N+]([O-])=O)C[C@@H](CC)[C@]4([H])C[C@@]12[H] |r,c:3,8| Show InChI InChI=1S/C52H56N6O4/c1-3-35-31-57(29-33-13-17-37(18-14-33)55(59)60)23-21-51-43-9-5-8-12-46(43)54-28-42-40-26-48-52(22-24-58(48,32-36(40)4-2)30-34-15-19-38(20-16-34)56(61)62)44-10-6-7-11-45(44)53(50(42)52)27-41(49(51)54)39(35)25-47(51)57/h5-20,27-28,35-36,39-40,47-50H,3-4,21-26,29-32H2,1-2H3/q+2/b41-27-,42-28-/t35-,36-,39+,40+,47?,48?,49+,50+,51-,52-,57?,58?/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	49	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