BDBM50067199 CHEMBL3187862

SMILES: COc1ccc(cc1OC1CCN(CC1)C(C)C)C(=O)NCc1nc(C)cs1

InChI Key: InChIKey=XRYBAVMFQNARJM-UHFFFAOYSA-N

Data: 2 IC50

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 = 50067199   

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
High-affinity choline transporter (Homo sapiens (Human))	BDBM50067199 (CHEMBL3187862) Show SMILES COc1ccc(cc1OC1CCN(CC1)C(C)C)C(=O)NCc1nc(C)cs1 Show InChI InChI=1S/C21H29N3O3S/c1-14(2)24-9-7-17(8-10-24)27-19-11-16(5-6-18(19)26-4)21(25)22-12-20-23-15(3)13-28-20/h5-6,11,13-14,17H,7-10,12H2,1-4H3,(H,22,25)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of human CHT Leu530Ala and Val531Ala mutant expressed in HEK293 cells assessed as remaining transporter activity in presence of 10 uM [3H]...				Bioorg Med Chem Lett 25: 1757-60 (2015) Article DOI: 10.1016/j.bmcl.2015.02.058 BindingDB Entry DOI: 10.7270/Q24J0GTX
					More data for this Ligand-Target Pair
High-affinity choline transporter (Homo sapiens (Human))	BDBM50067199 (CHEMBL3187862) Show SMILES COc1ccc(cc1OC1CCN(CC1)C(C)C)C(=O)NCc1nc(C)cs1 Show InChI InChI=1S/C21H29N3O3S/c1-14(2)24-9-7-17(8-10-24)27-19-11-16(5-6-18(19)26-4)21(25)22-12-20-23-15(3)13-28-20/h5-6,11,13-14,17H,7-10,12H2,1-4H3,(H,22,25)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.48E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of human CHT Leu530Ala and Val531Ala mutant expressed in HEK293 cells assessed as remaining transporter activity in presence of 100 nM [3H...				Bioorg Med Chem Lett 25: 1757-60 (2015) Article DOI: 10.1016/j.bmcl.2015.02.058 BindingDB Entry DOI: 10.7270/Q24J0GTX
					More data for this Ligand-Target Pair