BDBM50048110 CHEMBL57055::[2-(3,4-Dihydroxy-phenyl)-2-hydroxy-ethyl]-trimethyl-ammonium; iodide

SMILES: C[N+](C)(C)CC(O)c1ccc(O)c(O)c1

InChI Key: InChIKey=KOCLPWNIIAMDIN-UHFFFAOYSA-O

Data: 4 KI  3 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 7 hits for monomerid = 50048110   

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
Creatine transporter (Rattus norvegicus)	BDBM50048110 (CHEMBL57055 | [2-(3,4-Dihydroxy-phenyl)-2-hydroxy-...) Show SMILES C[N+](C)(C)CC(O)c1ccc(O)c(O)c1 Show InChI InChI=1S/C11H17NO3/c1-12(2,3)7-11(15)8-4-5-9(13)10(14)6-8/h4-6,11,15H,7H2,1-3H3,(H-,13,14)/p+1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.30E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toledo Curated by ChEMBL					Assay Description Inhibition constant of high-affinity 5-HT uptake				J Med Chem 36: 1893-901 (1993) BindingDB Entry DOI: 10.7270/Q2RX9B5J
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50048110 (CHEMBL57055 | [2-(3,4-Dihydroxy-phenyl)-2-hydroxy-...) Show SMILES C[N+](C)(C)CC(O)c1ccc(O)c(O)c1 Show InChI InChI=1S/C11H17NO3/c1-12(2,3)7-11(15)8-4-5-9(13)10(14)6-8/h4-6,11,15H,7H2,1-3H3,(H-,13,14)/p+1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.90E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toledo Curated by ChEMBL					Assay Description Inhibition constant of high-affinity 5-HT uptake				J Med Chem 36: 1893-901 (1993) BindingDB Entry DOI: 10.7270/Q2RX9B5J
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50048110 (CHEMBL57055 | [2-(3,4-Dihydroxy-phenyl)-2-hydroxy-...) Show SMILES C[N+](C)(C)CC(O)c1ccc(O)c(O)c1 Show InChI InChI=1S/C11H17NO3/c1-12(2,3)7-11(15)8-4-5-9(13)10(14)6-8/h4-6,11,15H,7H2,1-3H3,(H-,13,14)/p+1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.30E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toledo Curated by ChEMBL					Assay Description Inhibition constant of high-affinity dopamine uptake				J Med Chem 36: 1893-901 (1993) BindingDB Entry DOI: 10.7270/Q2RX9B5J
					More data for this Ligand-Target Pair
Choline Acetyltransferase (RAT)	BDBM50048110 (CHEMBL57055 | [2-(3,4-Dihydroxy-phenyl)-2-hydroxy-...) Show SMILES C[N+](C)(C)CC(O)c1ccc(O)c(O)c1 Show InChI InChI=1S/C11H17NO3/c1-12(2,3)7-11(15)8-4-5-9(13)10(14)6-8/h4-6,11,15H,7H2,1-3H3,(H-,13,14)/p+1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.50E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toledo Curated by ChEMBL					Assay Description Enzyme inhibition dissociation constant for choline acetyl transferase (ChAcT) was determined				J Med Chem 36: 1893-901 (1993) BindingDB Entry DOI: 10.7270/Q2RX9B5J
					More data for this Ligand-Target Pair
Creatine transporter (Rattus norvegicus)	BDBM50048110 (CHEMBL57055 | [2-(3,4-Dihydroxy-phenyl)-2-hydroxy-...) Show SMILES C[N+](C)(C)CC(O)c1ccc(O)c(O)c1 Show InChI InChI=1S/C11H17NO3/c1-12(2,3)7-11(15)8-4-5-9(13)10(14)6-8/h4-6,11,15H,7H2,1-3H3,(H-,13,14)/p+1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.21E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Toledo Curated by ChEMBL					Assay Description Inhibition of high affinity choline uptake at concentration of 1 microM				J Med Chem 36: 1893-901 (1993) BindingDB Entry DOI: 10.7270/Q2RX9B5J
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50048110 (CHEMBL57055 | [2-(3,4-Dihydroxy-phenyl)-2-hydroxy-...) Show SMILES C[N+](C)(C)CC(O)c1ccc(O)c(O)c1 Show InChI InChI=1S/C11H17NO3/c1-12(2,3)7-11(15)8-4-5-9(13)10(14)6-8/h4-6,11,15H,7H2,1-3H3,(H-,13,14)/p+1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.49E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Toledo Curated by ChEMBL					Assay Description Inhibition of high affinity 5-HT uptake at concentration of 1 microM				J Med Chem 36: 1893-901 (1993) BindingDB Entry DOI: 10.7270/Q2RX9B5J
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50048110 (CHEMBL57055 | [2-(3,4-Dihydroxy-phenyl)-2-hydroxy-...) Show SMILES C[N+](C)(C)CC(O)c1ccc(O)c(O)c1 Show InChI InChI=1S/C11H17NO3/c1-12(2,3)7-11(15)8-4-5-9(13)10(14)6-8/h4-6,11,15H,7H2,1-3H3,(H-,13,14)/p+1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.60E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Toledo Curated by ChEMBL					Assay Description Inhibition constant of high-affinity choline uptake				J Med Chem 36: 1893-901 (1993) BindingDB Entry DOI: 10.7270/Q2RX9B5J
					More data for this Ligand-Target Pair