Compile Data Set for Download or QSAR

Found 14 hits of ki data for polymerid = 50003204,50007107   

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
Large neutral amino acids transporter small subunit 1 (Rattus norvegicus)	BDBM50025839 (2-Amino-7-[bis-(2-chloro-ethyl)-amino]-1,2,3,4-tet...) Show SMILES NC1(CCc2ccc(cc2C1)N(CCCl)CCCl)C(O)=O Show InChI InChI=1S/C15H20Cl2N2O2/c16-5-7-19(8-6-17)13-2-1-11-3-4-15(18,14(20)21)10-12(11)9-13/h1-2,9H,3-8,10,18H2,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of LAT1-mediated L-[14C]-leucine uptake in Sprague-Dawley rat brain by duel-labeled liquid scintillation counting				Bioorg Med Chem Lett 20: 3688-91 (2010) Article DOI: 10.1016/j.bmcl.2010.04.086 BindingDB Entry DOI: 10.7270/Q2HM58MR
					More data for this Ligand-Target Pair
Large neutral amino acids transporter small subunit 1 (Rattus norvegicus)	BDBM50025839 (2-Amino-7-[bis-(2-chloro-ethyl)-amino]-1,2,3,4-tet...) Show SMILES NC1(CCc2ccc(cc2C1)N(CCCl)CCCl)C(O)=O Show InChI InChI=1S/C15H20Cl2N2O2/c16-5-7-19(8-6-17)13-2-1-11-3-4-15(18,14(20)21)10-12(11)9-13/h1-2,9H,3-8,10,18H2,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Binding affinity to LAT1 in rat brain				Bioorg Med Chem Lett 20: 3688-91 (2010) Article DOI: 10.1016/j.bmcl.2010.04.086 BindingDB Entry DOI: 10.7270/Q2HM58MR
					More data for this Ligand-Target Pair
Large neutral amino acids transporter small subunit 1 (Rattus norvegicus)	BDBM50319696 ((+/-)-2-endo-amino-bis(2-chloroethyl)-7'-aminobenz...) Show SMILES NC1(CC2CC1c1cc(ccc21)N(CCCl)CCCl)C(O)=O |TLB:19:1:4:6.11,THB:10:11:1.2:4,7:6:1.2:4,0:1:4:6.11| Show InChI InChI=1S/C16H20Cl2N2O2/c17-3-5-20(6-4-18)11-1-2-12-10-7-14(13(12)8-11)16(19,9-10)15(21)22/h1-2,8,10,14H,3-7,9,19H2,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of LAT1-mediated L-[14C]-leucine uptake in Sprague-Dawley rat brain by duel-labeled liquid scintillation counting				Bioorg Med Chem Lett 20: 3688-91 (2010) Article DOI: 10.1016/j.bmcl.2010.04.086 BindingDB Entry DOI: 10.7270/Q2HM58MR
					More data for this Ligand-Target Pair
Large neutral amino acids transporter small subunit 1 (Rattus norvegicus)	BDBM50319694 ((+/-)-2-Amino-(bis-2-chloroethyl)-5-aminoindane-2-...) Show SMILES NC1(Cc2ccc(cc2C1)N(CCCl)CCCl)C(O)=O Show InChI InChI=1S/C14H18Cl2N2O2/c15-3-5-18(6-4-16)12-2-1-10-8-14(17,13(19)20)9-11(10)7-12/h1-2,7H,3-6,8-9,17H2,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of LAT1-mediated L-[14C]-leucine uptake in Sprague-Dawley rat brain by duel-labeled liquid scintillation counting				Bioorg Med Chem Lett 20: 3688-91 (2010) Article DOI: 10.1016/j.bmcl.2010.04.086 BindingDB Entry DOI: 10.7270/Q2HM58MR
					More data for this Ligand-Target Pair
Large neutral amino acids transporter small subunit 1 (Rattus norvegicus)	BDBM50025838 ((+/-)-2-Amino-1,2,3,4-tetrahydro-2-naphthoic acid ...) Show SMILES NC1(CCc2ccccc2C1)C(O)=O Show InChI InChI=1S/C11H13NO2/c12-11(10(13)14)6-5-8-3-1-2-4-9(8)7-11/h1-4H,5-7,12H2,(H,13,14)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	7.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of LAT1-mediated L-[14C]-leucine uptake in Sprague-Dawley rat brain by duel-labeled liquid scintillation counting				Bioorg Med Chem Lett 20: 3688-91 (2010) Article DOI: 10.1016/j.bmcl.2010.04.086 BindingDB Entry DOI: 10.7270/Q2HM58MR
					More data for this Ligand-Target Pair
Large neutral amino acids transporter small subunit 1 (Rattus norvegicus)	BDBM50025836 ((+/-)-2-amino-5-(bis(2-chloroethyl)amino)-1,2,3,4-...) Show SMILES NC1(CCc2c(C1)cccc2N(CCCl)CCCl)C(O)=O Show InChI InChI=1S/C15H20Cl2N2O2/c16-6-8-19(9-7-17)13-3-1-2-11-10-15(18,14(20)21)5-4-12(11)13/h1-3H,4-10,18H2,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of LAT1-mediated L-[14C]-leucine uptake in Sprague-Dawley rat brain by duel-labeled liquid scintillation counting				Bioorg Med Chem Lett 20: 3688-91 (2010) Article DOI: 10.1016/j.bmcl.2010.04.086 BindingDB Entry DOI: 10.7270/Q2HM58MR
					More data for this Ligand-Target Pair
Large neutral amino acids transporter small subunit 1 (Rattus norvegicus)	BDBM50319693 ((+/-)-2-Aminoindane-2-carboxylic acid | CHEMBL1082...) Show SMILES NC1(Cc2ccccc2C1)C(O)=O Show InChI InChI=1S/C10H11NO2/c11-10(9(12)13)5-7-3-1-2-4-8(7)6-10/h1-4H,5-6,11H2,(H,12,13)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	1.25E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of LAT1-mediated L-[14C]-leucine uptake in Sprague-Dawley rat brain by duel-labeled liquid scintillation counting				Bioorg Med Chem Lett 20: 3688-91 (2010) Article DOI: 10.1016/j.bmcl.2010.04.086 BindingDB Entry DOI: 10.7270/Q2HM58MR
					More data for this Ligand-Target Pair
Large neutral amino acids transporter small subunit 1 (Rattus norvegicus)	BDBM50025836 ((+/-)-2-amino-5-(bis(2-chloroethyl)amino)-1,2,3,4-...) Show SMILES NC1(CCc2c(C1)cccc2N(CCCl)CCCl)C(O)=O Show InChI InChI=1S/C15H20Cl2N2O2/c16-6-8-19(9-7-17)13-3-1-2-11-10-15(18,14(20)21)5-4-12(11)13/h1-3H,4-10,18H2,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Binding affinity to LAT1 in rat brain				Bioorg Med Chem Lett 20: 3688-91 (2010) Article DOI: 10.1016/j.bmcl.2010.04.086 BindingDB Entry DOI: 10.7270/Q2HM58MR
					More data for this Ligand-Target Pair
Large neutral amino acids transporter small subunit 1 (Rattus norvegicus)	BDBM50319695 ((+/-)-2-Aminobenzo-bicyclo-[2.2.1]heptane-2'-exo-c...) Show SMILES NC1(CC2CC1c1ccccc21)C(O)=O |THB:10:11:1.2:4,7:6:1.2:4,0:1:4:6.11| Show InChI InChI=1S/C12H13NO2/c13-12(11(14)15)6-7-5-10(12)9-4-2-1-3-8(7)9/h1-4,7,10H,5-6,13H2,(H,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of LAT1-mediated L-[14C]-leucine uptake in Sprague-Dawley rat brain by duel-labeled liquid scintillation counting				Bioorg Med Chem Lett 20: 3688-91 (2010) Article DOI: 10.1016/j.bmcl.2010.04.086 BindingDB Entry DOI: 10.7270/Q2HM58MR
					More data for this Ligand-Target Pair
Large neutral amino acids transporter small subunit 1 (Rattus norvegicus)	BDBM50025837 ((S)-2-Amino-3-{4-[bis-(2-chloro-ethyl)-amino]-phen...) Show SMILES N[C@@H](Cc1ccc(cc1)N(CCCl)CCCl)C(O)=O |r| Show InChI InChI=1S/C13H18Cl2N2O2/c14-5-7-17(8-6-15)11-3-1-10(2-4-11)9-12(16)13(18)19/h1-4,12H,5-9,16H2,(H,18,19)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	5.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of LAT1-mediated L-[14C]-leucine uptake in Sprague-Dawley rat brain by duel-labeled liquid scintillation counting				Bioorg Med Chem Lett 20: 3688-91 (2010) Article DOI: 10.1016/j.bmcl.2010.04.086 BindingDB Entry DOI: 10.7270/Q2HM58MR
					More data for this Ligand-Target Pair
Large neutral amino acids transporter small subunit 1 (Rattus norvegicus)	BDBM18073 ((2S)-2-amino-3-phenylpropanoic acid | CHEMBL301523...) Show SMILES N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	5.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of LAT1-mediated L-[14C]-leucine uptake in Sprague-Dawley rat brain by duel-labeled liquid scintillation counting				Bioorg Med Chem Lett 20: 3688-91 (2010) Article DOI: 10.1016/j.bmcl.2010.04.086 BindingDB Entry DOI: 10.7270/Q2HM58MR
					More data for this Ligand-Target Pair
Large neutral amino acids transporter small subunit 1 (Rattus norvegicus)	BDBM50319691 ((+/-)-2-amino-6-(bis(2-chloroethyl)amino)-1,2,3,4-...) Show SMILES NC1(CCc2cc(ccc2C1)N(CCCl)CCCl)C(O)=O Show InChI InChI=1S/C15H20Cl2N2O2/c16-5-7-19(8-6-17)13-2-1-12-10-15(18,14(20)21)4-3-11(12)9-13/h1-2,9H,3-8,10,18H2,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of LAT1-mediated L-[14C]-leucine uptake in Sprague-Dawley rat brain by duel-labeled liquid scintillation counting				Bioorg Med Chem Lett 20: 3688-91 (2010) Article DOI: 10.1016/j.bmcl.2010.04.086 BindingDB Entry DOI: 10.7270/Q2HM58MR
					More data for this Ligand-Target Pair
Large neutral amino acids transporter small subunit 1 (Rattus norvegicus)	BDBM50319692 ((+/-)-2-amino-8-(bis(2-chloroethyl)amino)-1,2,3,4-...) Show SMILES NC1(CCc2cccc(N(CCCl)CCCl)c2C1)C(O)=O Show InChI InChI=1S/C15H20Cl2N2O2/c16-6-8-19(9-7-17)13-3-1-2-11-4-5-15(18,14(20)21)10-12(11)13/h1-3H,4-10,18H2,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.52E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of LAT1-mediated L-[14C]-leucine uptake in Sprague-Dawley rat brain by duel-labeled liquid scintillation counting				Bioorg Med Chem Lett 20: 3688-91 (2010) Article DOI: 10.1016/j.bmcl.2010.04.086 BindingDB Entry DOI: 10.7270/Q2HM58MR
					More data for this Ligand-Target Pair
Large neutral amino acids transporter small subunit 1 (Homo sapiens (Human))	BDBM50606667 (CHEMBL5220432) Show SMILES NC(Cc1cc(Cl)c(Oc2ccc3ccc(cc3c2)-c2cccc(N)c2)c(Cl)c1)C(O)=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.10E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113806 BindingDB Entry DOI: 10.7270/Q2M61QBT
					More data for this Ligand-Target Pair