BDBM50432578 CHEMBL2347165

SMILES: Fc1ccc2[nH]cc(CCCNCc3ccccc3)c2c1

InChI Key: InChIKey=RTLQUOXHRQJNMY-UHFFFAOYSA-N

Data: 2 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 5 hits for monomerid = 50432578   

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))	BDBM50432578 (CHEMBL2347165) Show SMILES Fc1ccc2[nH]cc(CCCNCc3ccccc3)c2c1 Show InChI InChI=1S/C18H19FN2/c19-16-8-9-18-17(11-16)15(13-21-18)7-4-10-20-12-14-5-2-1-3-6-14/h1-3,5-6,8-9,11,13,20-21H,4,7,10,12H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50	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 human SERT expressed in HEK293 cells assessed as reduction in [3]5-HT uptake				Eur J Med Chem 123: 746-762 (2016) Article DOI: 10.1016/j.ejmech.2016.07.053 BindingDB Entry DOI: 10.7270/Q2FQ9ZMZ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50432578 (CHEMBL2347165) Show SMILES Fc1ccc2[nH]cc(CCCNCc3ccccc3)c2c1 Show InChI InChI=1S/C18H19FN2/c19-16-8-9-18-17(11-16)15(13-21-18)7-4-10-20-12-14-5-2-1-3-6-14/h1-3,5-6,8-9,11,13,20-21H,4,7,10,12H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	53	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))	BDBM50432578 (CHEMBL2347165) Show SMILES Fc1ccc2[nH]cc(CCCNCc3ccccc3)c2c1 Show InChI InChI=1S/C18H19FN2/c19-16-8-9-18-17(11-16)15(13-21-18)7-4-10-20-12-14-5-2-1-3-6-14/h1-3,5-6,8-9,11,13,20-21H,4,7,10,12H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Libre de Bruxelles Curated by ChEMBL					Assay Description Inhibition of MPO chlorination activity (unknown origin) assessed as taurine chloramine formation after 5 mins in presence of H2O2/Cl- by HTS method				Eur J Med Chem 123: 746-762 (2016) Article DOI: 10.1016/j.ejmech.2016.07.053 BindingDB Entry DOI: 10.7270/Q2FQ9ZMZ
					More data for this Ligand-Target Pair
Myeloperoxidase (MPO) (Homo sapiens (Human))	BDBM50432578 (CHEMBL2347165) Show SMILES Fc1ccc2[nH]cc(CCCNCc3ccccc3)c2c1 Show InChI InChI=1S/C18H19FN2/c19-16-8-9-18-17(11-16)15(13-21-18)7-4-10-20-12-14-5-2-1-3-6-14/h1-3,5-6,8-9,11,13,20-21H,4,7,10,12H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	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
Myeloperoxidase (MPO) (Homo sapiens (Human))	BDBM50432578 (CHEMBL2347165) Show SMILES Fc1ccc2[nH]cc(CCCNCc3ccccc3)c2c1 Show InChI InChI=1S/C18H19FN2/c19-16-8-9-18-17(11-16)15(13-21-18)7-4-10-20-12-14-5-2-1-3-6-14/h1-3,5-6,8-9,11,13,20-21H,4,7,10,12H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	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