BDBM50432581 CHEMBL2347030

SMILES: NCCCc1c[nH]c2c(F)cccc12

InChI Key: InChIKey=OOYDQQMBWSRGBX-UHFFFAOYSA-N

Data: 1 KI  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 3 hits for monomerid = 50432581   

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
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50432581 (CHEMBL2347030) Show SMILES NCCCc1c[nH]c2c(F)cccc12 Show InChI InChI=1S/C11H13FN2/c12-10-5-1-4-9-8(3-2-6-13)7-14-11(9)10/h1,4-5,7,14H,2-3,6,13H2	PDB KEGG DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Libre de Bruxelles Curated by ChEMBL					Assay Description Inhibition of serotonin reuptake at human SERT expressed in HEK293 cells coexpressing macrophage scavenger receptor				J Med Chem 56: 3943-58 (2013) Article DOI: 10.1021/jm4001538 BindingDB Entry DOI: 10.7270/Q21C1Z7T
					More data for this Ligand-Target Pair
Myeloperoxidase (MPO) (Homo sapiens (Human))	BDBM50432581 (CHEMBL2347030) Show SMILES NCCCc1c[nH]c2c(F)cccc12 Show InChI InChI=1S/C11H13FN2/c12-10-5-1-4-9-8(3-2-6-13)7-14-11(9)10/h1,4-5,7,14H,2-3,6,13H2	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Libre de Bruxelles Curated by ChEMBL					Assay Description Inhibition of human recombinant MPO-mediated taurine chlorination after 5 mins by microplate assay				J Med Chem 56: 3943-58 (2013) Article DOI: 10.1021/jm4001538 BindingDB Entry DOI: 10.7270/Q21C1Z7T
					More data for this Ligand-Target Pair
Myeloperoxidase (MPO) (Homo sapiens (Human))	BDBM50432581 (CHEMBL2347030) Show SMILES NCCCc1c[nH]c2c(F)cccc12 Show InChI InChI=1S/C11H13FN2/c12-10-5-1-4-9-8(3-2-6-13)7-14-11(9)10/h1,4-5,7,14H,2-3,6,13H2	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Libre de Bruxelles Curated by ChEMBL					Assay Description Inhibition of human recombinant MPO-mediated LDL oxidation after 5 mins by ELISA				J Med Chem 56: 3943-58 (2013) Article DOI: 10.1021/jm4001538 BindingDB Entry DOI: 10.7270/Q21C1Z7T
					More data for this Ligand-Target Pair