BDBM7973 2-aminoethan-1-ol::CHEMBL104943::ethanolamine

SMILES: NCCO

InChI Key: InChIKey=HZAXFHJVJLSVMW-UHFFFAOYSA-N

Data: 3 KI

PDB links: 52 PDB IDs match this monomer. 7286 PDB IDs contain this monomer as substructures. 7286 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

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 3 hits for monomerid = 7973   

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)	BDBM7973 (2-aminoethan-1-ol | CHEMBL104943 | ethanolamine) Show SMILES NCCO Show InChI InChI=1S/C2H7NO/c3-1-2-4/h4H,1-3H2	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	9.03E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Texas Tech University Health Sciences Center Curated by ChEMBL					Assay Description Inhibition of [3H]-choline brain uptake was determined by in situ brain perfusion studies in male rats				Bioorg Med Chem Lett 14: 3085-92 (2004) Article DOI: 10.1016/j.bmcl.2004.04.020 BindingDB Entry DOI: 10.7270/Q2BG2PJR
					More data for this Ligand-Target Pair
Glutaminyl Cyclase (Mus musculus (mouse))	BDBM7973 (2-aminoethan-1-ol | CHEMBL104943 | ethanolamine) Show SMILES NCCO Show InChI InChI=1S/C2H7NO/c3-1-2-4/h4H,1-3H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	1.93E+7	-2.38	n/a	n/a	n/a	n/a	n/a	8.0	30
Probiodrug AG					Assay Description QC activity was evaluated fluorometrically using Gln-AMC as substrate, and pyroglutamyl peptidase as the auxiliary enzyme. After conversion of Gln-AM...				Biochemistry 44: 13415-24 (2005) Article DOI: 10.1021/bi051142e BindingDB Entry DOI: 10.7270/Q21834QW
					More data for this Ligand-Target Pair
Choline transporter (Mus musculus)	BDBM7973 (2-aminoethan-1-ol | CHEMBL104943 | ethanolamine) Show SMILES NCCO Show InChI InChI=1S/C2H7NO/c3-1-2-4/h4H,1-3H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	1.50E+8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern Ohio Universities Colleges of Medicine and Pharmacy Curated by ChEMBL					Assay Description Inhibition of [3H]choline uptake at choline transporter 1 in mouse brain synaptosome				Bioorg Med Chem Lett 20: 4870-7 (2010) Article DOI: 10.1016/j.bmcl.2010.06.090 BindingDB Entry DOI: 10.7270/Q29C6XMQ
					More data for this Ligand-Target Pair