BDBM50419753 CHEMBL1947047

SMILES: OC(CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC1c2ccccc2CCc2ccccc12)c1ccccc1

InChI Key: InChIKey=VUFNUKBMMACISY-YIQUMBJJSA-N

Data: 4 KI

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 = 50419753   

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
Acetylcholine Binding protein (Lymnaea stagnalis)	BDBM50419753 (CHEMBL1947047) Show SMILES OC(CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC1c2ccccc2CCc2ccccc12)c1ccccc1 |r,THB:2:3:10.9.8:6.5| Show InChI InChI=1S/C30H33NO2/c32-29(23-10-2-1-3-11-23)20-31-24-16-17-25(31)19-26(18-24)33-30-27-12-6-4-8-21(27)14-15-22-9-5-7-13-28(22)30/h1-13,24-26,29-30,32H,14-20H2/t24-,25+,26+,29?	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine binding protein expressed using baculoviral system after 1.5 hrs by scintillatio...				Bioorg Med Chem Lett 22: 1448-54 (2012) Article DOI: 10.1016/j.bmcl.2011.12.008 BindingDB Entry DOI: 10.7270/Q26Q1ZHD
					More data for this Ligand-Target Pair
Acetylcholine Binding protein (Aplysia Californica)	BDBM50419753 (CHEMBL1947047) Show SMILES OC(CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC1c2ccccc2CCc2ccccc12)c1ccccc1 |r,THB:2:3:10.9.8:6.5| Show InChI InChI=1S/C30H33NO2/c32-29(23-10-2-1-3-11-23)20-31-24-16-17-25(31)19-26(18-24)33-30-27-12-6-4-8-21(27)14-15-22-9-5-7-13-28(22)30/h1-13,24-26,29-30,32H,14-20H2/t24-,25+,26+,29?	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.26E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from Aplysia californica acetylcholine binding protein expressed using baculoviral system after 1.5 hrs by scintillat...				Bioorg Med Chem Lett 22: 1448-54 (2012) Article DOI: 10.1016/j.bmcl.2011.12.008 BindingDB Entry DOI: 10.7270/Q26Q1ZHD
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit (Homo sapiens (Human))	BDBM50419753 (CHEMBL1947047) Show SMILES OC(CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC1c2ccccc2CCc2ccccc12)c1ccccc1 |r,THB:2:3:10.9.8:6.5| Show InChI InChI=1S/C30H33NO2/c32-29(23-10-2-1-3-11-23)20-31-24-16-17-25(31)19-26(18-24)33-30-27-12-6-4-8-21(27)14-15-22-9-5-7-13-28(22)30/h1-13,24-26,29-30,32H,14-20H2/t24-,25+,26+,29?	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]MLA from nAChR alpha7 receptor in human SH-SY5Y cells by scintillation counting				Bioorg Med Chem Lett 22: 1448-54 (2012) Article DOI: 10.1016/j.bmcl.2011.12.008 BindingDB Entry DOI: 10.7270/Q26Q1ZHD
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2 (Homo sapiens (Human))	BDBM50419753 (CHEMBL1947047) Show SMILES OC(CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC1c2ccccc2CCc2ccccc12)c1ccccc1 |r,THB:2:3:10.9.8:6.5| Show InChI InChI=1S/C30H33NO2/c32-29(23-10-2-1-3-11-23)20-31-24-16-17-25(31)19-26(18-24)33-30-27-12-6-4-8-21(27)14-15-22-9-5-7-13-28(22)30/h1-13,24-26,29-30,32H,14-20H2/t24-,25+,26+,29?	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	>3.16E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from human nAChR alpha4beta2 receptor expressed in human HEK293T cells by scintillation counting				Bioorg Med Chem Lett 22: 1448-54 (2012) Article DOI: 10.1016/j.bmcl.2011.12.008 BindingDB Entry DOI: 10.7270/Q26Q1ZHD
					More data for this Ligand-Target Pair