BDBM50419746 CHEMBL1946188

SMILES: C(Cc1ccccc1)N1[C@H]2CC[C@@H]1C[C@@H](C2)OC1c2ccccc2CCc2ccccc12

InChI Key: InChIKey=KEGNCHJKYCGHJN-UQWUFBTJSA-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 = 50419746   

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)	BDBM50419746 (CHEMBL1946188) Show SMILES C(Cc1ccccc1)N1[C@H]2CC[C@@H]1C[C@@H](C2)OC1c2ccccc2CCc2ccccc12 |r,THB:0:8:15.14.13:11.10| Show InChI InChI=1S/C30H33NO/c1-2-8-22(9-3-1)18-19-31-25-16-17-26(31)21-27(20-25)32-30-28-12-6-4-10-23(28)14-15-24-11-5-7-13-29(24)30/h1-13,25-27,30H,14-21H2/t25-,26+,27+	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	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)	BDBM50419746 (CHEMBL1946188) Show SMILES C(Cc1ccccc1)N1[C@H]2CC[C@@H]1C[C@@H](C2)OC1c2ccccc2CCc2ccccc12 |r,THB:0:8:15.14.13:11.10| Show InChI InChI=1S/C30H33NO/c1-2-8-22(9-3-1)18-19-31-25-16-17-26(31)21-27(20-25)32-30-28-12-6-4-10-23(28)14-15-24-11-5-7-13-29(24)30/h1-13,25-27,30H,14-21H2/t25-,26+,27+	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+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]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))	BDBM50419746 (CHEMBL1946188) Show SMILES C(Cc1ccccc1)N1[C@H]2CC[C@@H]1C[C@@H](C2)OC1c2ccccc2CCc2ccccc12 |r,THB:0:8:15.14.13:11.10| Show InChI InChI=1S/C30H33NO/c1-2-8-22(9-3-1)18-19-31-25-16-17-26(31)21-27(20-25)32-30-28-12-6-4-10-23(28)14-15-24-11-5-7-13-29(24)30/h1-13,25-27,30H,14-21H2/t25-,26+,27+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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]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))	BDBM50419746 (CHEMBL1946188) Show SMILES C(Cc1ccccc1)N1[C@H]2CC[C@@H]1C[C@@H](C2)OC1c2ccccc2CCc2ccccc12 |r,THB:0:8:15.14.13:11.10| Show InChI InChI=1S/C30H33NO/c1-2-8-22(9-3-1)18-19-31-25-16-17-26(31)21-27(20-25)32-30-28-12-6-4-10-23(28)14-15-24-11-5-7-13-29(24)30/h1-13,25-27,30H,14-21H2/t25-,26+,27+	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