Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50055003'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM50055003 (6-(4-Chloro-phenyl)-2,3,4,6-tetrahydro-pyrimido[2,...) Show SMILES OC1(N2CCCN=C2c2ccccc12)c1ccc(Cl)cc1 |c:6| Show InChI InChI=1S/C17H15ClN2O/c18-13-8-6-12(7-9-13)17(21)15-5-2-1-4-14(15)16-19-10-3-11-20(16)17/h1-2,4-9,21H,3,10-11H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Drew University Curated by ChEMBL					Assay Description Inhibition of [125I]- RTI -55 binding at the Serotonin transporter sites on HEK-hSERT cells				J Med Chem 45: 4110-8 (2002) BindingDB Entry DOI: 10.7270/Q25Q4VF3
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50055003 (6-(4-Chloro-phenyl)-2,3,4,6-tetrahydro-pyrimido[2,...) Show SMILES OC1(N2CCCN=C2c2ccccc12)c1ccc(Cl)cc1 |c:6| Show InChI InChI=1S/C17H15ClN2O/c18-13-8-6-12(7-9-13)17(21)15-5-2-1-4-14(15)16-19-10-3-11-20(16)17/h1-2,4-9,21H,3,10-11H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Drew University Curated by ChEMBL					Assay Description Displacement of [125I]- RTI-55 from Serotonin transporter expressed in HEK cells				J Med Chem 45: 4097-109 (2002) BindingDB Entry DOI: 10.7270/Q2MC90R8
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50055003 (6-(4-Chloro-phenyl)-2,3,4,6-tetrahydro-pyrimido[2,...) Show SMILES OC1(N2CCCN=C2c2ccccc12)c1ccc(Cl)cc1 |c:6| Show InChI InChI=1S/C17H15ClN2O/c18-13-8-6-12(7-9-13)17(21)15-5-2-1-4-14(15)16-19-10-3-11-20(16)17/h1-2,4-9,21H,3,10-11H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
Drew University Curated by ChEMBL					Assay Description Inhibition of 5-HT uptake in HEK cells expressing human serotonin transporter (hSERT)				J Med Chem 45: 4097-109 (2002) BindingDB Entry DOI: 10.7270/Q2MC90R8
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50055003 (6-(4-Chloro-phenyl)-2,3,4,6-tetrahydro-pyrimido[2,...) Show SMILES OC1(N2CCCN=C2c2ccccc12)c1ccc(Cl)cc1 |c:6| Show InChI InChI=1S/C17H15ClN2O/c18-13-8-6-12(7-9-13)17(21)15-5-2-1-4-14(15)16-19-10-3-11-20(16)17/h1-2,4-9,21H,3,10-11H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.04E+3	n/a	n/a	n/a	n/a	n/a	n/a
Drew University Curated by ChEMBL					Assay Description Compound was tested for inhibition of [3H]-citalopram binding at the serotonin transporter in rat fore brain membranes				J Med Chem 39: 4935-41 (1997) Article DOI: 10.1021/jm960288w BindingDB Entry DOI: 10.7270/Q2ZK5FSR
					More data for this Ligand-Target Pair