Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with all data for entry = 50010446   

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 (Rattus norvegicus (rat))	BDBM50094929 (2-(2-Methyl-piperazin-1-yl)-6-nitro-quinoline | CH...) Show SMILES CC1CNCCN1c1ccc2cc(ccc2n1)[N+]([O-])=O Show InChI InChI=1S/C14H16N4O2/c1-10-9-15-6-7-17(10)14-5-2-11-8-12(18(19)20)3-4-13(11)16-14/h2-5,8,10,15H,6-7,9H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0810	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Washington University Curated by ChEMBL					Assay Description In vitro radioligand [3H]-paroxetine from rat cortical Serotonin transporter				Bioorg Med Chem Lett 10: 2643-6 (2000) BindingDB Entry DOI: 10.7270/Q2W37VJW
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50063266 (6-Nitro-2-piperazin-1-yl-quinoline | 6-nitroquipaz...) Show SMILES [O-][N+](=O)c1ccc2nc(ccc2c1)N1CCNCC1 Show InChI InChI=1S/C13H14N4O2/c18-17(19)11-2-3-12-10(9-11)1-4-13(15-12)16-7-5-14-6-8-16/h1-4,9,14H,5-8H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	0.163	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Washington University Curated by ChEMBL					Assay Description In vitro radioligand [3H]-paroxetine from rat cortical Serotonin transporter				Bioorg Med Chem Lett 10: 2643-6 (2000) BindingDB Entry DOI: 10.7270/Q2W37VJW
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50063266 (6-Nitro-2-piperazin-1-yl-quinoline | 6-nitroquipaz...) Show SMILES [O-][N+](=O)c1ccc2nc(ccc2c1)N1CCNCC1 Show InChI InChI=1S/C13H14N4O2/c18-17(19)11-2-3-12-10(9-11)1-4-13(15-12)16-7-5-14-6-8-16/h1-4,9,14H,5-8H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	0.163	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Washington University Curated by ChEMBL					Assay Description In vitro radioligand [3H]-paroxetine from rat cortical Serotonin transporter				Bioorg Med Chem Lett 10: 2643-6 (2000) BindingDB Entry DOI: 10.7270/Q2W37VJW
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50094930 (5-Iodo-6-nitro-2-piperazin-1-yl-quinoline | CHEMBL...) Show SMILES [O-][N+](=O)c1ccc2nc(ccc2c1I)N1CCNCC1 Show InChI InChI=1S/C13H13IN4O2/c14-13-9-1-4-12(17-7-5-15-6-8-17)16-10(9)2-3-11(13)18(19)20/h1-4,15H,5-8H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Washington University Curated by ChEMBL					Assay Description In vitro radioligand [3H]-paroxetine from rat cortical Serotonin transporter				Bioorg Med Chem Lett 10: 2643-6 (2000) BindingDB Entry DOI: 10.7270/Q2W37VJW
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50090211 (2-(3-Methyl-piperazin-1-yl)-6-nitro-quinoline | CH...) Show SMILES CC1CN(CCN1)c1ccc2cc(ccc2n1)[N+]([O-])=O Show InChI InChI=1S/C14H16N4O2/c1-10-9-17(7-6-15-10)14-5-2-11-8-12(18(19)20)3-4-13(11)16-14/h2-5,8,10,15H,6-7,9H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Washington University Curated by ChEMBL					Assay Description In vitro radioligand [3H]-paroxetine from rat cortical Serotonin transporter				Bioorg Med Chem Lett 10: 2643-6 (2000) BindingDB Entry DOI: 10.7270/Q2W37VJW
					More data for this Ligand-Target Pair