BDBM50108981 CHEMBL3597318

SMILES: O[C@@H]1Cc2cccc(O)c2C[C@H]1N1CCC(CC1)C(=O)c1ccc(F)cc1

InChI Key: InChIKey=ZJFKUDWLHAHZSP-TZIWHRDSSA-N

Data: 2 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 2 hits for monomerid = 50108981   

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
Vesicular acetylcholine transporter (Homo sapiens (Human))	BDBM50108981 (CHEMBL3597318) Show SMILES O[C@@H]1Cc2cccc(O)c2C[C@H]1N1CCC(CC1)C(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C22H24FNO3/c23-17-6-4-14(5-7-17)22(27)15-8-10-24(11-9-15)19-13-18-16(12-21(19)26)2-1-3-20(18)25/h1-7,15,19,21,25-26H,8-13H2/t19-,21-/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]-vesamicol from human VAChT after 24 hrs by by liquid scintillation spectrometry analysis				Bioorg Med Chem 23: 4699-709 (2015) BindingDB Entry DOI: 10.7270/Q2FQ9ZCT
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50108981 (CHEMBL3597318) Show SMILES O[C@@H]1Cc2cccc(O)c2C[C@H]1N1CCC(CC1)C(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C22H24FNO3/c23-17-6-4-14(5-7-17)22(27)15-8-10-24(11-9-15)19-13-18-16(12-21(19)26)2-1-3-20(18)25/h1-7,15,19,21,25-26H,8-13H2/t19-,21-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	8.64E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of (+)-[3H]pentazocine from sigma1 receptor in guinea pig brain membrane homogenates				Bioorg Med Chem 23: 4699-709 (2015) BindingDB Entry DOI: 10.7270/Q2FQ9ZCT
					More data for this Ligand-Target Pair