BDBM50432580 CHEMBL2347032

SMILES: NCCCCc1c[nH]c2c(F)cccc12

InChI Key: InChIKey=CODMIIYHWPZIMY-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 = 50432580   

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))	BDBM50432580 (CHEMBL2347032) Show SMILES NCCCCc1c[nH]c2c(F)cccc12 Show InChI InChI=1S/C12H15FN2/c13-11-6-3-5-10-9(4-1-2-7-14)8-15-12(10)11/h3,5-6,8,15H,1-2,4,7,14H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8	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))	BDBM50432580 (CHEMBL2347032) Show SMILES NCCCCc1c[nH]c2c(F)cccc12 Show InChI InChI=1S/C12H15FN2/c13-11-6-3-5-10-9(4-1-2-7-14)8-15-12(10)11/h3,5-6,8,15H,1-2,4,7,14H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	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))	BDBM50432580 (CHEMBL2347032) Show SMILES NCCCCc1c[nH]c2c(F)cccc12 Show InChI InChI=1S/C12H15FN2/c13-11-6-3-5-10-9(4-1-2-7-14)8-15-12(10)11/h3,5-6,8,15H,1-2,4,7,14H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	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