BDBM50025031 CHEMBL3337863

SMILES: [Br-].[Br-].[H][C@@]12C[C@@]3([H])[C@H](CC)C[N+]1(CC=C)CC[C@@]21c2ccccc2N2\C=C4/[C@]5([H])N(\C=C3/[C@@]12[H])c1ccccc1[C@@]51CC[N+]2(CC=C)C[C@@H](CCO)[C@]4([H])C[C@@]12[H]

InChI Key: InChIKey=IJIRRGHTZSHFPY-SKYHGZCBSA-L

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 = 50025031   

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)	BDBM50025031 (CHEMBL3337863) Show SMILES [Br-].[Br-].[H][C@@]12C[C@@]3([H])[C@H](CC)C[N+]1(CC=C)CC[C@@]21c2ccccc2N2\C=C4/[C@]5([H])N(\C=C3/[C@@]12[H])c1ccccc1[C@@]51CC[N+]2(CC=C)C[C@@H](CCO)[C@]4([H])C[C@@]12[H] |r,c:26,t:31| Show InChI InChI=1S/C44H54N4O.2BrH/c1-4-18-47-20-16-43-35-11-7-10-14-38(35)46-26-34-32-24-40-44(17-21-48(40,19-5-2)28-30(32)15-22-49)36-12-8-9-13-37(36)45(42(34)44)25-33(41(43)46)31(23-39(43)47)29(6-3)27-47;;/h4-5,7-14,25-26,29-32,39-42,49H,1-2,6,15-24,27-28H2,3H3;2*1H/q+2;;/p-2/b33-25-,34-26-;;/t29-,30-,31+,32+,39+,40+,41+,42+,43-,44-,47?,48?;;/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	12	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))	BDBM50025031 (CHEMBL3337863) Show SMILES [Br-].[Br-].[H][C@@]12C[C@@]3([H])[C@H](CC)C[N+]1(CC=C)CC[C@@]21c2ccccc2N2\C=C4/[C@]5([H])N(\C=C3/[C@@]12[H])c1ccccc1[C@@]51CC[N+]2(CC=C)C[C@@H](CCO)[C@]4([H])C[C@@]12[H] |r,c:26,t:31| Show InChI InChI=1S/C44H54N4O.2BrH/c1-4-18-47-20-16-43-35-11-7-10-14-38(35)46-26-34-32-24-40-44(17-21-48(40,19-5-2)28-30(32)15-22-49)36-12-8-9-13-37(36)45(42(34)44)25-33(41(43)46)31(23-39(43)47)29(6-3)27-47;;/h4-5,7-14,25-26,29-32,39-42,49H,1-2,6,15-24,27-28H2,3H3;2*1H/q+2;;/p-2/b33-25-,34-26-;;/t29-,30-,31+,32+,39+,40+,41+,42+,43-,44-,47?,48?;;/m1../s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.16E+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)	BDBM50025031 (CHEMBL3337863) Show SMILES [Br-].[Br-].[H][C@@]12C[C@@]3([H])[C@H](CC)C[N+]1(CC=C)CC[C@@]21c2ccccc2N2\C=C4/[C@]5([H])N(\C=C3/[C@@]12[H])c1ccccc1[C@@]51CC[N+]2(CC=C)C[C@@H](CCO)[C@]4([H])C[C@@]12[H] |r,c:26,t:31| Show InChI InChI=1S/C44H54N4O.2BrH/c1-4-18-47-20-16-43-35-11-7-10-14-38(35)46-26-34-32-24-40-44(17-21-48(40,19-5-2)28-30(32)15-22-49)36-12-8-9-13-37(36)45(42(34)44)25-33(41(43)46)31(23-39(43)47)29(6-3)27-47;;/h4-5,7-14,25-26,29-32,39-42,49H,1-2,6,15-24,27-28H2,3H3;2*1H/q+2;;/p-2/b33-25-,34-26-;;/t29-,30-,31+,32+,39+,40+,41+,42+,43-,44-,47?,48?;;/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	12	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))	BDBM50025031 (CHEMBL3337863) Show SMILES [Br-].[Br-].[H][C@@]12C[C@@]3([H])[C@H](CC)C[N+]1(CC=C)CC[C@@]21c2ccccc2N2\C=C4/[C@]5([H])N(\C=C3/[C@@]12[H])c1ccccc1[C@@]51CC[N+]2(CC=C)C[C@@H](CCO)[C@]4([H])C[C@@]12[H] |r,c:26,t:31| Show InChI InChI=1S/C44H54N4O.2BrH/c1-4-18-47-20-16-43-35-11-7-10-14-38(35)46-26-34-32-24-40-44(17-21-48(40,19-5-2)28-30(32)15-22-49)36-12-8-9-13-37(36)45(42(34)44)25-33(41(43)46)31(23-39(43)47)29(6-3)27-47;;/h4-5,7-14,25-26,29-32,39-42,49H,1-2,6,15-24,27-28H2,3H3;2*1H/q+2;;/p-2/b33-25-,34-26-;;/t29-,30-,31+,32+,39+,40+,41+,42+,43-,44-,47?,48?;;/m1../s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10E+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