BDBM50108984 CHEMBL3597321

SMILES: OC1Cc2cccc(OCCF)c2CC1N1CCC(CC1)C(=O)c1ccc(F)cc1

InChI Key: InChIKey=HPFMDGHQRJOFBK-UHFFFAOYSA-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 = 50108984   

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))	BDBM50108984 (CHEMBL3597321) Show SMILES OC1Cc2cccc(OCCF)c2CC1N1CCC(CC1)C(=O)c1ccc(F)cc1 Show InChI InChI=1S/C24H27F2NO3/c25-10-13-30-23-3-1-2-18-14-22(28)21(15-20(18)23)27-11-8-17(9-12-27)24(29)16-4-6-19(26)7-5-16/h1-7,17,21-22,28H,8-15H2	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.590	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
Vesicular acetylcholine transporter (Homo sapiens (Human))	BDBM50108984 (CHEMBL3597321) Show SMILES OC1Cc2cccc(OCCF)c2CC1N1CCC(CC1)C(=O)c1ccc(F)cc1 Show InChI InChI=1S/C24H27F2NO3/c25-10-13-30-23-3-1-2-18-14-22(28)21(15-20(18)23)27-11-8-17(9-12-27)24(29)16-4-6-19(26)7-5-16/h1-7,17,21-22,28H,8-15H2	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	13	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))	BDBM50108984 (CHEMBL3597321) Show SMILES OC1Cc2cccc(OCCF)c2CC1N1CCC(CC1)C(=O)c1ccc(F)cc1 Show InChI InChI=1S/C24H27F2NO3/c25-10-13-30-23-3-1-2-18-14-22(28)21(15-20(18)23)27-11-8-17(9-12-27)24(29)16-4-6-19(26)7-5-16/h1-7,17,21-22,28H,8-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+4	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
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50108984 (CHEMBL3597321) Show SMILES OC1Cc2cccc(OCCF)c2CC1N1CCC(CC1)C(=O)c1ccc(F)cc1 Show InChI InChI=1S/C24H27F2NO3/c25-10-13-30-23-3-1-2-18-14-22(28)21(15-20(18)23)27-11-8-17(9-12-27)24(29)16-4-6-19(26)7-5-16/h1-7,17,21-22,28H,8-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+4	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