Compile Data Set for Download or QSAR

Found 5 hits of kd data for polymerid = 2253   

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))	BDBM50121451 (5-Methyl-6-nitro-2-piperazin-1-yl-quinoline | CHEM...) Show SMILES Cc1c(ccc2nc(ccc12)N1CCNCC1)[N+]([O-])=O Show InChI InChI=1S/C14H16N4O2/c1-10-11-2-5-14(17-8-6-15-7-9-17)16-12(11)3-4-13(10)18(19)20/h2-5,15H,6-9H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	0.0510	n/a	n/a	n/a	n/a	n/a
Institutet Curated by ChEMBL					Assay Description Binding affinity of the radio labeled [3H]-5-Methyl-6-nitroquipazine compound against Serotonin transporter in rat frontal cortex homogenates				Bioorg Med Chem Lett 12: 3611-3 (2002) BindingDB Entry DOI: 10.7270/Q2639P40
					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	n/a	n/a	n/a	0.0510	n/a	n/a	n/a	n/a	n/a
Institutet Curated by ChEMBL					Assay Description Binding affinity of the radio labeled [3H]-5-Methyl-6-nitroquipazine compound against Serotonin transporter in rat frontal cortex homogenates				Bioorg Med Chem Lett 12: 3611-3 (2002) BindingDB Entry DOI: 10.7270/Q2639P40
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50010589 (6,7-Dihydro-5H-indeno[5,6-d][1,3]dioxol-6-ylamine ...) Show SMILES NC1Cc2cc3OCOc3cc2C1 Show InChI InChI=1S/C10H11NO2/c11-8-1-6-3-9-10(13-5-12-9)4-7(6)2-8/h3-4,8H,1-2,5,11H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	0.104	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Binding affinity was determined towards serotonin uptake site in presence of [3H]-paroxetine radioligand in rat brain cortical homogenate				J Med Chem 33: 703-10 (1990) BindingDB Entry DOI: 10.7270/Q26W992G
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50010589 (6,7-Dihydro-5H-indeno[5,6-d][1,3]dioxol-6-ylamine ...) Show SMILES NC1Cc2cc3OCOc3cc2C1 Show InChI InChI=1S/C10H11NO2/c11-8-1-6-3-9-10(13-5-12-9)4-7(6)2-8/h3-4,8H,1-2,5,11H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	0.127	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Binding affinity was determined towards serotonin uptake site in presence of [3H]-paroxetine radioligand in rat hippocampal homogenate				J Med Chem 33: 703-10 (1990) BindingDB Entry DOI: 10.7270/Q26W992G
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM22416 ((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...) Show SMILES Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 Show InChI InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	n/a	0.150	n/a	n/a	n/a	n/a	n/a
Wake Forest University Curated by ChEMBL					Assay Description The potency of the [3H]paroxetine for 5-HT transporters				J Med Chem 37: 1262-8 (1994) BindingDB Entry DOI: 10.7270/Q2TH8NBM
					More data for this Ligand-Target Pair				3D Structure (crystal)