Compile Data Set for Download or QSAR

Found 80 hits Enz. Inhib. hit(s) with all data for entry = 2707   

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
Equilibrative nucleoside transporter 1 (Homo sapiens (Human))	BDBM23617 ((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-{[(4-nitrophe...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3ccc(cc3)[N+]([O-])=O)ncnc12 Show InChI InChI=1S/C17H17N5O6S/c23-5-11-13(24)14(25)17(28-11)21-8-20-12-15(21)18-7-19-16(12)29-6-9-1-3-10(4-2-9)22(26)27/h1-4,7-8,11,13-14,17,23-25H,5-6H2/t11-,13-,14-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.430	-52.9	7.60	n/a	n/a	n/a	n/a	7.4	22
University of Tennessee Health Science Center					Assay Description The compounds were tested to determine their ENT1 nucleoside transporter binding ability by a flow cytometric assay using human leukemia K562 cells i...				J Med Chem 50: 3906-20 (2007) Article DOI: 10.1021/jm070311l BindingDB Entry DOI: 10.7270/Q2XK8CVN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Equilibrative nucleoside transporter 1 (Homo sapiens (Human))	BDBM23631 (2-{[4,8-bis(azocan-1-yl)-6-[bis(2-hydroxyethyl)ami...) Show SMILES OCCN(CCO)c1nc(N2CCCCCCC2)c2nc(nc(N3CCCCCCC3)c2n1)N(CCO)CCO Show InChI InChI=1S/C28H48N8O4/c37-19-15-35(16-20-38)27-30-24-23(25(31-27)33-11-7-3-1-4-8-12-33)29-28(36(17-21-39)18-22-40)32-26(24)34-13-9-5-2-6-10-14-34/h37-40H,1-22H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	0.490	-52.6	8.67	n/a	n/a	n/a	n/a	7.4	22
University of Tennessee Health Science Center					Assay Description The compounds were tested to determine their ENT1 nucleoside transporter binding ability by a flow cytometric assay using human leukemia K562 cells i...				J Med Chem 50: 3906-20 (2007) Article DOI: 10.1021/jm070311l BindingDB Entry DOI: 10.7270/Q2XK8CVN
					More data for this Ligand-Target Pair
Equilibrative nucleoside transporter 1 (Homo sapiens (Human))	BDBM23633 (2-{[4,8-bis(azonan-1-yl)-6-[bis(2-hydroxyethyl)ami...) Show SMILES OCCN(CCO)c1nc(N2CCCCCCCC2)c2nc(nc(N3CCCCCCCC3)c2n1)N(CCO)CCO Show InChI InChI=1S/C30H52N8O4/c39-21-17-37(18-22-40)29-32-26-25(27(33-29)35-13-9-5-1-2-6-10-14-35)31-30(38(19-23-41)20-24-42)34-28(26)36-15-11-7-3-4-8-12-16-36/h39-42H,1-24H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.770	-51.5	13.6	n/a	n/a	n/a	n/a	7.4	22
University of Tennessee Health Science Center					Assay Description The compounds were tested to determine their ENT1 nucleoside transporter binding ability by a flow cytometric assay using human leukemia K562 cells i...				J Med Chem 50: 3906-20 (2007) Article DOI: 10.1021/jm070311l BindingDB Entry DOI: 10.7270/Q2XK8CVN
					More data for this Ligand-Target Pair
Equilibrative nucleoside transporter 1 (Homo sapiens (Human))	BDBM23629 (2-{[4,8-bis(azepan-1-yl)-6-[bis(2-hydroxyethyl)ami...) Show SMILES OCCN(CCO)c1nc(N2CCCCCC2)c2nc(nc(N3CCCCCC3)c2n1)N(CCO)CCO Show InChI InChI=1S/C26H44N8O4/c35-17-13-33(14-18-36)25-28-22-21(23(29-25)31-9-5-1-2-6-10-31)27-26(34(15-19-37)16-20-38)30-24(22)32-11-7-3-4-8-12-32/h35-38H,1-20H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.860	-51.2	15.2	n/a	n/a	n/a	n/a	7.4	22
University of Tennessee Health Science Center					Assay Description The compounds were tested to determine their ENT1 nucleoside transporter binding ability by a flow cytometric assay using human leukemia K562 cells i...				J Med Chem 50: 3906-20 (2007) Article DOI: 10.1021/jm070311l BindingDB Entry DOI: 10.7270/Q2XK8CVN
					More data for this Ligand-Target Pair
Equilibrative nucleoside transporter 1 (Homo sapiens (Human))	BDBM23697 (2-({6-[(2-hydroxyethyl)[2-(propan-2-yloxy)ethyl]am...) Show SMILES CC(C)OCCN(CCO)c1nc(N2CCCCC2)c2nc(nc(N3CCCCC3)c2n1)N(CCO)CCOC(C)C Show InChI InChI=1S/C30H52N8O4/c1-23(2)41-21-17-37(15-19-39)29-31-25-26(27(33-29)35-11-7-5-8-12-35)32-30(34-28(25)36-13-9-6-10-14-36)38(16-20-40)18-22-42-24(3)4/h23-24,39-40H,5-22H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.30	n/a	76	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center					Assay Description The compounds were tested to determine their ENT1 nucleoside transporter binding ability by a flow cytometric assay using human leukemia K562 cells i...				J Med Chem 50: 3906-20 (2007) Article DOI: 10.1021/jm070311l BindingDB Entry DOI: 10.7270/Q2XK8CVN
					More data for this Ligand-Target Pair
Equilibrative nucleoside transporter 1 (Homo sapiens (Human))	BDBM23620 (2-({6-[bis(2-hydroxyethyl)amino]-4,8-bis(piperidin...) Show SMILES OCCN(CCO)c1nc(N2CCCCC2)c2nc(nc(N3CCCCC3)c2n1)N(CCO)CCO Show InChI InChI=1S/C24H40N8O4/c33-15-11-31(12-16-34)23-26-20-19(21(27-23)29-7-3-1-4-8-29)25-24(32(13-17-35)14-18-36)28-22(20)30-9-5-2-6-10-30/h33-36H,1-18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	8.18	-45.7	145	n/a	n/a	n/a	n/a	7.4	22
University of Tennessee Health Science Center					Assay Description The compounds were tested to determine their ENT1 nucleoside transporter binding ability by a flow cytometric assay using human leukemia K562 cells i...				J Med Chem 50: 3906-20 (2007) Article DOI: 10.1021/jm070311l BindingDB Entry DOI: 10.7270/Q2XK8CVN
					More data for this Ligand-Target Pair
Equilibrative nucleoside transporter 1 (Homo sapiens (Human))	BDBM23692 (Dipyridamole Analogue, 74 | {2-[(6-{bis[2-(formylo...) Show SMILES O=COCCN(CCOC=O)c1nc(N2CCCCC2)c2nc(nc(N3CCCCC3)c2n1)N(CCOC=O)CCOC=O Show InChI InChI=1S/C28H40N8O8/c37-19-41-15-11-35(12-16-42-20-38)27-30-24-23(25(31-27)33-7-3-1-4-8-33)29-28(32-26(24)34-9-5-2-6-10-34)36(13-17-43-21-39)14-18-44-22-40/h19-22H,1-18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8.20	n/a	145	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center					Assay Description The compounds were tested to determine their ENT1 nucleoside transporter binding ability by a flow cytometric assay using human leukemia K562 cells i...				J Med Chem 50: 3906-20 (2007) Article DOI: 10.1021/jm070311l BindingDB Entry DOI: 10.7270/Q2XK8CVN
					More data for this Ligand-Target Pair
Equilibrative nucleoside transporter 1 (Homo sapiens (Human))	BDBM23676 (2-({6-[bis(2-hydroxyethyl)amino]-4,8-bis[(2,2-dime...) Show SMILES CC(C)(C)CNc1nc(nc2c(NCC(C)(C)C)nc(nc12)N(CCO)CCO)N(CCO)CCO Show InChI InChI=1S/C24H44N8O4/c1-23(2,3)15-25-19-17-18(28-21(29-19)31(7-11-33)8-12-34)20(26-16-24(4,5)6)30-22(27-17)32(9-13-35)10-14-36/h33-36H,7-16H2,1-6H3,(H,25,28,29)(H,26,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	14.7	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center					Assay Description The compounds were tested to determine their ENT1 nucleoside transporter binding ability by a flow cytometric assay using human leukemia K562 cells i...				J Med Chem 50: 3906-20 (2007) Article DOI: 10.1021/jm070311l BindingDB Entry DOI: 10.7270/Q2XK8CVN
					More data for this Ligand-Target Pair
Equilibrative nucleoside transporter 1 (Homo sapiens (Human))	BDBM23682 (2-({6-[bis(2-hydroxyethyl)amino]-4,8-bis(cyclopent...) Show SMILES OCCN(CCO)c1nc(NC2CCCC2)c2nc(nc(NC3CCCC3)c2n1)N(CCO)CCO Show InChI InChI=1S/C24H40N8O4/c33-13-9-31(10-14-34)23-28-20-19(21(29-23)25-17-5-1-2-6-17)27-24(32(11-15-35)12-16-36)30-22(20)26-18-7-3-4-8-18/h17-18,33-36H,1-16H2,(H,25,28,29)(H,26,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	15.8	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center					Assay Description The compounds were tested to determine their ENT1 nucleoside transporter binding ability by a flow cytometric assay using human leukemia K562 cells i...				J Med Chem 50: 3906-20 (2007) Article DOI: 10.1021/jm070311l BindingDB Entry DOI: 10.7270/Q2XK8CVN
					More data for this Ligand-Target Pair
Equilibrative nucleoside transporter 1 (Homo sapiens (Human))	BDBM23670 (2-({6-[bis(2-hydroxyethyl)amino]-4,8-bis(tert-buty...) Show SMILES CC(C)(C)Nc1nc(nc2c(NC(C)(C)C)nc(nc12)N(CCO)CCO)N(CCO)CCO Show InChI InChI=1S/C22H40N8O4/c1-21(2,3)27-17-15-16(24-19(25-17)29(7-11-31)8-12-32)18(28-22(4,5)6)26-20(23-15)30(9-13-33)10-14-34/h31-34H,7-14H2,1-6H3,(H,24,25,27)(H,23,26,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	16.8	n/a	297	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center					Assay Description The compounds were tested to determine their ENT1 nucleoside transporter binding ability by a flow cytometric assay using human leukemia K562 cells i...				J Med Chem 50: 3906-20 (2007) Article DOI: 10.1021/jm070311l BindingDB Entry DOI: 10.7270/Q2XK8CVN
					More data for this Ligand-Target Pair
Equilibrative nucleoside transporter 1 (Homo sapiens (Human))	BDBM23693 (2-[(6-{bis[2-(acetyloxy)ethyl]amino}-4,8-bis(piper...) Show SMILES CC(=O)OCCN(CCOC(C)=O)c1nc(N2CCCCC2)c2nc(nc(N3CCCCC3)c2n1)N(CCOC(C)=O)CCOC(C)=O Show InChI InChI=1S/C32H48N8O8/c1-23(41)45-19-15-39(16-20-46-24(2)42)31-33-27-28(29(35-31)37-11-7-5-8-12-37)34-32(36-30(27)38-13-9-6-10-14-38)40(17-21-47-25(3)43)18-22-48-26(4)44/h5-22H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	17.1	n/a	302	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center					Assay Description The compounds were tested to determine their ENT1 nucleoside transporter binding ability by a flow cytometric assay using human leukemia K562 cells i...				J Med Chem 50: 3906-20 (2007) Article DOI: 10.1021/jm070311l BindingDB Entry DOI: 10.7270/Q2XK8CVN
					More data for this Ligand-Target Pair
Equilibrative nucleoside transporter 1 (Homo sapiens (Human))	BDBM23632 (2-{[4,8-bis(azocan-1-yl)-6-[(2-hydroxyethyl)amino]...) Show SMILES OCCNc1nc(N2CCCCCCC2)c2nc(NCCO)nc(N3CCCCCCC3)c2n1 Show InChI InChI=1S/C24H40N8O2/c33-17-11-25-23-28-20-19(21(29-23)31-13-7-3-1-4-8-14-31)27-24(26-12-18-34)30-22(20)32-15-9-5-2-6-10-16-32/h33-34H,1-18H2,(H,25,28,29)(H,26,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	21.2	-43.4	375	n/a	n/a	n/a	n/a	7.4	22
University of Tennessee Health Science Center					Assay Description The compounds were tested to determine their ENT1 nucleoside transporter binding ability by a flow cytometric assay using human leukemia K562 cells i...				J Med Chem 50: 3906-20 (2007) Article DOI: 10.1021/jm070311l BindingDB Entry DOI: 10.7270/Q2XK8CVN
					More data for this Ligand-Target Pair
Equilibrative nucleoside transporter 1 (Homo sapiens (Human))	BDBM23634 (2-{[4,8-bis(azonan-1-yl)-6-[(2-hydroxyethyl)amino]...) Show SMILES OCCNc1nc(N2CCCCCCCC2)c2nc(NCCO)nc(N3CCCCCCCC3)c2n1 Show InChI InChI=1S/C26H44N8O2/c35-19-13-27-25-30-22-21(23(31-25)33-15-9-5-1-2-6-10-16-33)29-26(28-14-20-36)32-24(22)34-17-11-7-3-4-8-12-18-34/h35-36H,1-20H2,(H,27,30,31)(H,28,29,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	38	-41.9	672	n/a	n/a	n/a	n/a	7.4	22
University of Tennessee Health Science Center					Assay Description The compounds were tested to determine their ENT1 nucleoside transporter binding ability by a flow cytometric assay using human leukemia K562 cells i...				J Med Chem 50: 3906-20 (2007) Article DOI: 10.1021/jm070311l BindingDB Entry DOI: 10.7270/Q2XK8CVN
					More data for this Ligand-Target Pair
Equilibrative nucleoside transporter 1 (Homo sapiens (Human))	BDBM23668 (2-({6-[bis(2-hydroxyethyl)amino]-4,8-bis[(2-methyl...) Show SMILES CC(C)CNc1nc(nc2c(NCC(C)C)nc(nc12)N(CCO)CCO)N(CCO)CCO Show InChI InChI=1S/C22H40N8O4/c1-15(2)13-23-19-17-18(26-21(27-19)29(5-9-31)6-10-32)20(24-14-16(3)4)28-22(25-17)30(7-11-33)8-12-34/h15-16,31-34H,5-14H2,1-4H3,(H,23,26,27)(H,24,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	38	n/a	673	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center					Assay Description The compounds were tested to determine their ENT1 nucleoside transporter binding ability by a flow cytometric assay using human leukemia K562 cells i...				J Med Chem 50: 3906-20 (2007) Article DOI: 10.1021/jm070311l BindingDB Entry DOI: 10.7270/Q2XK8CVN
					More data for this Ligand-Target Pair
Equilibrative nucleoside transporter 1 (Homo sapiens (Human))	BDBM23684 (2-({6-[bis(2-hydroxyethyl)amino]-4,8-bis(cyclohexy...) Show SMILES OCCN(CCO)c1nc(NC2CCCCC2)c2nc(nc(NC3CCCCC3)c2n1)N(CCO)CCO Show InChI InChI=1S/C26H44N8O4/c35-15-11-33(12-16-36)25-30-22-21(23(31-25)27-19-7-3-1-4-8-19)29-26(34(13-17-37)14-18-38)32-24(22)28-20-9-5-2-6-10-20/h19-20,35-38H,1-18H2,(H,27,30,31)(H,28,29,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	53.1	n/a	940	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center					Assay Description The compounds were tested to determine their ENT1 nucleoside transporter binding ability by a flow cytometric assay using human leukemia K562 cells i...				J Med Chem 50: 3906-20 (2007) Article DOI: 10.1021/jm070311l BindingDB Entry DOI: 10.7270/Q2XK8CVN
					More data for this Ligand-Target Pair
Equilibrative nucleoside transporter 1 (Homo sapiens (Human))	BDBM23694 (2-N,2-N,6-N,6-N-tetrakis(2-methoxyethyl)-4,8-bis(p...) Show SMILES COCCN(CCOC)c1nc(N2CCCCC2)c2nc(nc(N3CCCCC3)c2n1)N(CCOC)CCOC Show InChI InChI=1S/C28H48N8O4/c1-37-19-15-35(16-20-38-2)27-29-23-24(25(31-27)33-11-7-5-8-12-33)30-28(36(17-21-39-3)18-22-40-4)32-26(23)34-13-9-6-10-14-34/h5-22H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	91.6	n/a	1.62E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center					Assay Description The compounds were tested to determine their ENT1 nucleoside transporter binding ability by a flow cytometric assay using human leukemia K562 cells i...				J Med Chem 50: 3906-20 (2007) Article DOI: 10.1021/jm070311l BindingDB Entry DOI: 10.7270/Q2XK8CVN
					More data for this Ligand-Target Pair
Equilibrative nucleoside transporter 1 (Homo sapiens (Human))	BDBM23622 (2-({6-[bis(2-hydroxyethyl)amino]-4,8-bis(pyrrolidi...) Show SMILES OCCN(CCO)c1nc(N2CCCC2)c2nc(nc(N3CCCC3)c2n1)N(CCO)CCO Show InChI InChI=1S/C22H36N8O4/c31-13-9-29(10-14-32)21-24-18-17(19(25-21)27-5-1-2-6-27)23-22(30(11-15-33)12-16-34)26-20(18)28-7-3-4-8-28/h31-34H,1-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	99.7	-39.6	1.76E+3	n/a	n/a	n/a	n/a	7.4	22
University of Tennessee Health Science Center					Assay Description The compounds were tested to determine their ENT1 nucleoside transporter binding ability by a flow cytometric assay using human leukemia K562 cells i...				J Med Chem 50: 3906-20 (2007) Article DOI: 10.1021/jm070311l BindingDB Entry DOI: 10.7270/Q2XK8CVN
					More data for this Ligand-Target Pair
Equilibrative nucleoside transporter 1 (Homo sapiens (Human))	BDBM23680 (2-({6-[bis(2-hydroxyethyl)amino]-4,8-bis(cyclobuty...) Show SMILES OCCN(CCO)c1nc(NC2CCC2)c2nc(nc(NC3CCC3)c2n1)N(CCO)CCO Show InChI InChI=1S/C22H36N8O4/c31-11-7-29(8-12-32)21-26-18-17(19(27-21)23-15-3-1-4-15)25-22(30(9-13-33)10-14-34)28-20(18)24-16-5-2-6-16/h15-16,31-34H,1-14H2,(H,23,26,27)(H,24,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	104	n/a	1.84E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center					Assay Description The compounds were tested to determine their ENT1 nucleoside transporter binding ability by a flow cytometric assay using human leukemia K562 cells i...				J Med Chem 50: 3906-20 (2007) Article DOI: 10.1021/jm070311l BindingDB Entry DOI: 10.7270/Q2XK8CVN
					More data for this Ligand-Target Pair
Equilibrative nucleoside transporter 1 (Homo sapiens (Human))	BDBM23674 (2-({6-[bis(2-hydroxyethyl)amino]-4,8-bis[(3-methyl...) Show SMILES CC(C)CCNc1nc(nc2c(NCCC(C)C)nc(nc12)N(CCO)CCO)N(CCO)CCO Show InChI InChI=1S/C24H44N8O4/c1-17(2)5-7-25-21-19-20(28-23(29-21)31(9-13-33)10-14-34)22(26-8-6-18(3)4)30-24(27-19)32(11-15-35)12-16-36/h17-18,33-36H,5-16H2,1-4H3,(H,25,28,29)(H,26,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	121	n/a	2.14E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center					Assay Description The compounds were tested to determine their ENT1 nucleoside transporter binding ability by a flow cytometric assay using human leukemia K562 cells i...				J Med Chem 50: 3906-20 (2007) Article DOI: 10.1021/jm070311l BindingDB Entry DOI: 10.7270/Q2XK8CVN
					More data for this Ligand-Target Pair
Equilibrative nucleoside transporter 1 (Homo sapiens (Human))	BDBM23666 (2-({6-[bis(2-hydroxyethyl)amino]-4,8-bis(butylamin...) Show SMILES CCCCNc1nc(nc2c(NCCCC)nc(nc12)N(CCO)CCO)N(CCO)CCO Show InChI InChI=1S/C22H40N8O4/c1-3-5-7-23-19-17-18(26-21(27-19)29(9-13-31)10-14-32)20(24-8-6-4-2)28-22(25-17)30(11-15-33)12-16-34/h31-34H,3-16H2,1-2H3,(H,23,26,27)(H,24,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	136	n/a	2.41E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center					Assay Description The compounds were tested to determine their ENT1 nucleoside transporter binding ability by a flow cytometric assay using human leukemia K562 cells i...				J Med Chem 50: 3906-20 (2007) Article DOI: 10.1021/jm070311l BindingDB Entry DOI: 10.7270/Q2XK8CVN
					More data for this Ligand-Target Pair
Equilibrative nucleoside transporter 1 (Homo sapiens (Human))	BDBM23672 (2-({6-[bis(2-hydroxyethyl)amino]-4,8-bis(pentylami...) Show SMILES CCCCCNc1nc(nc2c(NCCCCC)nc(nc12)N(CCO)CCO)N(CCO)CCO Show InChI InChI=1S/C24H44N8O4/c1-3-5-7-9-25-21-19-20(28-23(29-21)31(11-15-33)12-16-34)22(26-10-8-6-4-2)30-24(27-19)32(13-17-35)14-18-36/h33-36H,3-18H2,1-2H3,(H,25,28,29)(H,26,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	140	n/a	2.48E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center					Assay Description The compounds were tested to determine their ENT1 nucleoside transporter binding ability by a flow cytometric assay using human leukemia K562 cells i...				J Med Chem 50: 3906-20 (2007) Article DOI: 10.1021/jm070311l BindingDB Entry DOI: 10.7270/Q2XK8CVN
					More data for this Ligand-Target Pair
Equilibrative nucleoside transporter 1 (Homo sapiens (Human))	BDBM23664 (2-({6-[bis(2-hydroxyethyl)amino]-4,8-bis(propan-2-...) Show SMILES CC(C)Nc1nc(nc2c(NC(C)C)nc(nc12)N(CCO)CCO)N(CCO)CCO Show InChI InChI=1S/C20H36N8O4/c1-13(2)21-17-15-16(24-19(25-17)27(5-9-29)6-10-30)18(22-14(3)4)26-20(23-15)28(7-11-31)8-12-32/h13-14,29-32H,5-12H2,1-4H3,(H,21,24,25)(H,22,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	191	n/a	3.38E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center					Assay Description The compounds were tested to determine their ENT1 nucleoside transporter binding ability by a flow cytometric assay using human leukemia K562 cells i...				J Med Chem 50: 3906-20 (2007) Article DOI: 10.1021/jm070311l BindingDB Entry DOI: 10.7270/Q2XK8CVN
					More data for this Ligand-Target Pair
Equilibrative nucleoside transporter 1 (Homo sapiens (Human))	BDBM23635 (2-{[4,8-bis({8-azabicyclo[3.2.1]octan-8-yl})-6-[bi...) Show SMILES OCCN(CCO)c1nc(N2C3CCC2CCC3)c2nc(nc(N3C4CCC3CCC4)c2n1)N(CCO)CCO Show InChI InChI=1S/C28H44N8O4/c37-15-11-33(12-16-38)27-30-24-23(25(31-27)35-19-3-1-4-20(35)8-7-19)29-28(34(13-17-39)14-18-40)32-26(24)36-21-5-2-6-22(36)10-9-21/h19-22,37-40H,1-18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	193	-37.9	3.42E+3	n/a	n/a	n/a	n/a	7.4	22
University of Tennessee Health Science Center					Assay Description The compounds were tested to determine their ENT1 nucleoside transporter binding ability by a flow cytometric assay using human leukemia K562 cells i...				J Med Chem 50: 3906-20 (2007) Article DOI: 10.1021/jm070311l BindingDB Entry DOI: 10.7270/Q2XK8CVN
					More data for this Ligand-Target Pair
Equilibrative nucleoside transporter 1 (Homo sapiens (Human))	BDBM23641 (2-({6-[bis(2-hydroxyethyl)amino]-4,8-bis(diethylam...) Show SMILES CCN(CC)c1nc(nc2c(nc(nc12)N(CCO)CCO)N(CC)CC)N(CCO)CCO Show InChI InChI=1S/C22H40N8O4/c1-5-27(6-2)19-17-18(24-21(25-19)29(9-13-31)10-14-32)20(28(7-3)8-4)26-22(23-17)30(11-15-33)12-16-34/h31-34H,5-16H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	216	-37.7	3.83E+3	n/a	n/a	n/a	n/a	7.4	22
University of Tennessee Health Science Center					Assay Description The compounds were tested to determine their ENT1 nucleoside transporter binding ability by a flow cytometric assay using human leukemia K562 cells i...				J Med Chem 50: 3906-20 (2007) Article DOI: 10.1021/jm070311l BindingDB Entry DOI: 10.7270/Q2XK8CVN
					More data for this Ligand-Target Pair
Equilibrative nucleoside transporter 1 (Homo sapiens (Human))	BDBM23639 (2-({6-[bis(2-hydroxyethyl)amino]-4,8-bis(dimethyla...) Show SMILES CN(C)c1nc(nc2c(nc(nc12)N(CCO)CCO)N(C)C)N(CCO)CCO Show InChI InChI=1S/C18H32N8O4/c1-23(2)15-13-14(20-17(21-15)25(5-9-27)6-10-28)16(24(3)4)22-18(19-13)26(7-11-29)8-12-30/h27-30H,5-12H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	217	-37.7	3.83E+3	n/a	n/a	n/a	n/a	7.4	22
University of Tennessee Health Science Center					Assay Description The compounds were tested to determine their ENT1 nucleoside transporter binding ability by a flow cytometric assay using human leukemia K562 cells i...				J Med Chem 50: 3906-20 (2007) Article DOI: 10.1021/jm070311l BindingDB Entry DOI: 10.7270/Q2XK8CVN
					More data for this Ligand-Target Pair
Equilibrative nucleoside transporter 1 (Homo sapiens (Human))	BDBM23619 (2-{4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl}...) Show SMILES Cc1cccc(C)c1NC(=O)CN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C30H35F2N3O/c1-22-5-3-6-23(2)30(22)33-29(36)21-35-19-17-34(18-20-35)16-4-7-28(24-8-12-26(31)13-9-24)25-10-14-27(32)15-11-25/h3,5-6,8-15,28H,4,7,16-21H2,1-2H3,(H,33,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	280	-37.0	4.95E+3	n/a	n/a	n/a	n/a	7.4	22
University of Tennessee Health Science Center					Assay Description The compounds were tested to determine their ENT1 nucleoside transporter binding ability by a flow cytometric assay using human leukemia K562 cells i...				J Med Chem 50: 3906-20 (2007) Article DOI: 10.1021/jm070311l BindingDB Entry DOI: 10.7270/Q2XK8CVN
					More data for this Ligand-Target Pair
Equilibrative nucleoside transporter 1 (Homo sapiens (Human))	BDBM23662 (2-({6-[bis(2-hydroxyethyl)amino]-4,8-bis(propylami...) Show SMILES CCCNc1nc(nc2c(NCCC)nc(nc12)N(CCO)CCO)N(CCO)CCO Show InChI InChI=1S/C20H36N8O4/c1-3-5-21-17-15-16(24-19(25-17)27(7-11-29)8-12-30)18(22-6-4-2)26-20(23-15)28(9-13-31)10-14-32/h29-32H,3-14H2,1-2H3,(H,21,24,25)(H,22,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	300	n/a	5.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center					Assay Description The compounds were tested to determine their ENT1 nucleoside transporter binding ability by a flow cytometric assay using human leukemia K562 cells i...				J Med Chem 50: 3906-20 (2007) Article DOI: 10.1021/jm070311l BindingDB Entry DOI: 10.7270/Q2XK8CVN
					More data for this Ligand-Target Pair
Equilibrative nucleoside transporter 1 (Homo sapiens (Human))	BDBM23690 (2-{[6-(2-hydroxyethoxy)-4,8-bis(piperidin-1-yl)pyr...) Show SMILES OCCOc1nc(N2CCCCC2)c2nc(OCCO)nc(N3CCCCC3)c2n1 Show InChI InChI=1S/C20H30N6O4/c27-11-13-29-19-22-16-15(17(23-19)25-7-3-1-4-8-25)21-20(30-14-12-28)24-18(16)26-9-5-2-6-10-26/h27-28H,1-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	325	n/a	5.75E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center					Assay Description The compounds were tested to determine their ENT1 nucleoside transporter binding ability by a flow cytometric assay using human leukemia K562 cells i...				J Med Chem 50: 3906-20 (2007) Article DOI: 10.1021/jm070311l BindingDB Entry DOI: 10.7270/Q2XK8CVN
					More data for this Ligand-Target Pair
Equilibrative nucleoside transporter 1 (Homo sapiens (Human))	BDBM23624 (2-({6-[bis(2-hydroxyethyl)amino]-4,8-bis(morpholin...) Show SMILES OCCN(CCO)c1nc(N2CCOCC2)c2nc(nc(N3CCOCC3)c2n1)N(CCO)CCO Show InChI InChI=1S/C22H36N8O6/c31-9-1-29(2-10-32)21-23-17-18(19(25-21)27-5-13-35-14-6-27)24-22(30(3-11-33)4-12-34)26-20(17)28-7-15-36-16-8-28/h31-34H,1-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	393	-36.2	6.96E+3	n/a	n/a	n/a	n/a	7.4	22
University of Tennessee Health Science Center					Assay Description The compounds were tested to determine their ENT1 nucleoside transporter binding ability by a flow cytometric assay using human leukemia K562 cells i...				J Med Chem 50: 3906-20 (2007) Article DOI: 10.1021/jm070311l BindingDB Entry DOI: 10.7270/Q2XK8CVN
					More data for this Ligand-Target Pair
Equilibrative nucleoside transporter 1 (Homo sapiens (Human))	BDBM23678 (2-({6-[bis(2-hydroxyethyl)amino]-4,8-bis(cycloprop...) Show SMILES OCCN(CCO)c1nc(NC2CC2)c2nc(nc(NC3CC3)c2n1)N(CCO)CCO Show InChI InChI=1S/C20H32N8O4/c29-9-5-27(6-10-30)19-24-16-15(17(25-19)21-13-1-2-13)23-20(28(7-11-31)8-12-32)26-18(16)22-14-3-4-14/h13-14,29-32H,1-12H2,(H,21,24,25)(H,22,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	428	n/a	7.55E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center					Assay Description The compounds were tested to determine their ENT1 nucleoside transporter binding ability by a flow cytometric assay using human leukemia K562 cells i...				J Med Chem 50: 3906-20 (2007) Article DOI: 10.1021/jm070311l BindingDB Entry DOI: 10.7270/Q2XK8CVN
					More data for this Ligand-Target Pair
Equilibrative nucleoside transporter 1 (Homo sapiens (Human))	BDBM23628 (Dipyridamole Analogue, 8 | benzyl 4-{2,6-bis[bis(2...) Show SMILES OCCN(CCO)c1nc(N2CCNCC2)c2nc(nc(N3CCN(CC3)C(=O)OCc3ccccc3)c2n1)N(CCO)CCO Show InChI InChI=1S/C30H44N10O6/c41-18-14-38(15-19-42)28-33-25-24(26(34-28)36-8-6-31-7-9-36)32-29(39(16-20-43)17-21-44)35-27(25)37-10-12-40(13-11-37)30(45)46-22-23-4-2-1-3-5-23/h1-5,31,41-44H,6-22H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	449	-35.9	7.95E+3	n/a	n/a	n/a	n/a	7.4	22
University of Tennessee Health Science Center					Assay Description The compounds were tested to determine their ENT1 nucleoside transporter binding ability by a flow cytometric assay using human leukemia K562 cells i...				J Med Chem 50: 3906-20 (2007) Article DOI: 10.1021/jm070311l BindingDB Entry DOI: 10.7270/Q2XK8CVN
					More data for this Ligand-Target Pair
Equilibrative nucleoside transporter 1 (Homo sapiens (Human))	BDBM23667 (2-{[4,8-bis(butylamino)-6-[(2-hydroxyethyl)amino]p...) Show SMILES CCCCNc1nc(NCCO)nc2c(NCCCC)nc(NCCO)nc12 Show InChI InChI=1S/C18H32N8O2/c1-3-5-7-19-15-13-14(24-17(25-15)21-9-11-27)16(20-8-6-4-2)26-18(23-13)22-10-12-28/h27-28H,3-12H2,1-2H3,(H2,19,21,24,25)(H2,20,22,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	489	n/a	8.66E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center					Assay Description The compounds were tested to determine their ENT1 nucleoside transporter binding ability by a flow cytometric assay using human leukemia K562 cells i...				J Med Chem 50: 3906-20 (2007) Article DOI: 10.1021/jm070311l BindingDB Entry DOI: 10.7270/Q2XK8CVN
					More data for this Ligand-Target Pair
Equilibrative nucleoside transporter 1 (Homo sapiens (Human))	BDBM23621 (2-({6-[(2-hydroxyethyl)amino]-4,8-bis(piperidin-1-...) Show SMILES OCCNc1nc(N2CCCCC2)c2nc(NCCO)nc(N3CCCCC3)c2n1 Show InChI InChI=1S/C20H32N8O2/c29-13-7-21-19-24-16-15(17(25-19)27-9-3-1-4-10-27)23-20(22-8-14-30)26-18(16)28-11-5-2-6-12-28/h29-30H,1-14H2,(H,21,24,25)(H,22,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	691	-34.8	1.22E+4	n/a	n/a	n/a	n/a	7.4	22
University of Tennessee Health Science Center					Assay Description The compounds were tested to determine their ENT1 nucleoside transporter binding ability by a flow cytometric assay using human leukemia K562 cells i...				J Med Chem 50: 3906-20 (2007) Article DOI: 10.1021/jm070311l BindingDB Entry DOI: 10.7270/Q2XK8CVN
					More data for this Ligand-Target Pair
Equilibrative nucleoside transporter 1 (Homo sapiens (Human))	BDBM23623 (2-({6-[(2-hydroxyethyl)amino]-4,8-bis(pyrrolidin-1...) Show SMILES OCCNc1nc(N2CCCC2)c2nc(NCCO)nc(N3CCCC3)c2n1 Show InChI InChI=1S/C18H28N8O2/c27-11-5-19-17-22-14-13(15(23-17)25-7-1-2-8-25)21-18(20-6-12-28)24-16(14)26-9-3-4-10-26/h27-28H,1-12H2,(H,19,22,23)(H,20,21,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	7.4	22
University of Tennessee Health Science Center					Assay Description The compounds were tested to determine their ENT1 nucleoside transporter binding ability by a flow cytometric assay using human leukemia K562 cells i...				J Med Chem 50: 3906-20 (2007) Article DOI: 10.1021/jm070311l BindingDB Entry DOI: 10.7270/Q2XK8CVN
					More data for this Ligand-Target Pair
Equilibrative nucleoside transporter 1 (Homo sapiens (Human))	BDBM23696 (4,8-bis(piperidin-1-yl)-2-N,2-N,6-N,6-N-tetrakis(2...) Show SMILES CCCOCCN(CCOCCC)c1nc(N2CCCCC2)c2nc(nc(N3CCCCC3)c2n1)N(CCOCCC)CCOCCC Show InChI InChI=1S/C36H64N8O4/c1-5-23-45-27-19-43(20-28-46-24-6-2)35-37-31-32(33(39-35)41-15-11-9-12-16-41)38-36(40-34(31)42-17-13-10-14-18-42)44(21-29-47-25-7-3)22-30-48-26-8-4/h5-30H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center					Assay Description The compounds were tested to determine their ENT1 nucleoside transporter binding ability by a flow cytometric assay using human leukemia K562 cells i...				J Med Chem 50: 3906-20 (2007) Article DOI: 10.1021/jm070311l BindingDB Entry DOI: 10.7270/Q2XK8CVN
					More data for this Ligand-Target Pair
Equilibrative nucleoside transporter 1 (Homo sapiens (Human))	BDBM23626 (2-({6-[bis(2-hydroxyethyl)amino]-4,8-bis(4-methylp...) Show SMILES CN1CCN(CC1)c1nc(nc2c(nc(nc12)N(CCO)CCO)N1CCN(C)CC1)N(CCO)CCO Show InChI InChI=1S/C24H42N10O4/c1-29-3-7-31(8-4-29)21-19-20(26-23(27-21)33(11-15-35)12-16-36)22(32-9-5-30(2)6-10-32)28-24(25-19)34(13-17-37)14-18-38/h35-38H,3-18H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	7.4	22
University of Tennessee Health Science Center					Assay Description The compounds were tested to determine their ENT1 nucleoside transporter binding ability by a flow cytometric assay using human leukemia K562 cells i...				J Med Chem 50: 3906-20 (2007) Article DOI: 10.1021/jm070311l BindingDB Entry DOI: 10.7270/Q2XK8CVN
					More data for this Ligand-Target Pair
Equilibrative nucleoside transporter 1 (Homo sapiens (Human))	BDBM23627 (Dipyridamole Analogue, 7 | tert-butyl 4-{2,6-bis[b...) Show SMILES CC(C)(C)OC(=O)N1CCN(CC1)c1nc(nc2c(nc(nc12)N(CCO)CCO)N1CCN(CC1)C(=O)OC(C)(C)C)N(CCO)CCO Show InChI InChI=1S/C32H54N10O8/c1-31(2,3)49-29(47)41-11-7-37(8-12-41)25-23-24(34-27(35-25)39(15-19-43)16-20-44)26(36-28(33-23)40(17-21-45)18-22-46)38-9-13-42(14-10-38)30(48)50-32(4,5)6/h43-46H,7-22H2,1-6H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	7.4	22
University of Tennessee Health Science Center					Assay Description The compounds were tested to determine their ENT1 nucleoside transporter binding ability by a flow cytometric assay using human leukemia K562 cells i...				J Med Chem 50: 3906-20 (2007) Article DOI: 10.1021/jm070311l BindingDB Entry DOI: 10.7270/Q2XK8CVN
					More data for this Ligand-Target Pair
Equilibrative nucleoside transporter 1 (Homo sapiens (Human))	BDBM23630 (2-{[4,8-bis(azepan-1-yl)-6-[(2-hydroxyethyl)amino]...) Show SMILES OCCNc1nc(N2CCCCCC2)c2nc(NCCO)nc(N3CCCCCC3)c2n1 Show InChI InChI=1S/C22H36N8O2/c31-15-9-23-21-26-18-17(19(27-21)29-11-5-1-2-6-12-29)25-22(24-10-16-32)28-20(18)30-13-7-3-4-8-14-30/h31-32H,1-16H2,(H,23,26,27)(H,24,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	7.4	22
University of Tennessee Health Science Center					Assay Description The compounds were tested to determine their ENT1 nucleoside transporter binding ability by a flow cytometric assay using human leukemia K562 cells i...				J Med Chem 50: 3906-20 (2007) Article DOI: 10.1021/jm070311l BindingDB Entry DOI: 10.7270/Q2XK8CVN
					More data for this Ligand-Target Pair
Equilibrative nucleoside transporter 1 (Homo sapiens (Human))	BDBM23636 (2-{[4,8-bis({8-azabicyclo[3.2.1]octan-8-yl})-6-[(2...) Show SMILES OCCNc1nc(N2C3CCC2CCC3)c2nc(NCCO)nc(N3C4CCC3CCC4)c2n1 Show InChI InChI=1S/C24H36N8O2/c33-13-11-25-23-28-20-19(21(29-23)31-15-3-1-4-16(31)8-7-15)27-24(26-12-14-34)30-22(20)32-17-5-2-6-18(32)10-9-17/h15-18,33-34H,1-14H2,(H,25,28,29)(H,26,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	7.4	22
University of Tennessee Health Science Center					Assay Description The compounds were tested to determine their ENT1 nucleoside transporter binding ability by a flow cytometric assay using human leukemia K562 cells i...				J Med Chem 50: 3906-20 (2007) Article DOI: 10.1021/jm070311l BindingDB Entry DOI: 10.7270/Q2XK8CVN
					More data for this Ligand-Target Pair
Equilibrative nucleoside transporter 1 (Homo sapiens (Human))	BDBM23637 (2-{[4,8-bis({4-azatricyclo[4.3.1.1^{3,8}]undecan-4...) Show SMILES OCCN(CCO)c1nc(N2CC3CC4CC(C3)CC2C4)c2nc(nc(N3CC4CC5CC(C4)CC3C5)c2n1)N(CCO)CCO |TLB:33:32:36:29.28.27.26,33:28:36:34.31.32,27:28:36.35.34:31,17:16:20:13.12.11.10,17:12:20:18.15.16,11:12:20.19.18:15,THB:26:35:31:29.28.33,25:26:36:34.31.32,9:10:20:18.15.16,10:19:15:13.12.17| Show InChI InChI=1S/C34H52N8O4/c43-5-1-39(2-6-44)33-35-29-30(31(37-33)41-19-25-11-21-9-22(12-25)16-27(41)15-21)36-34(40(3-7-45)4-8-46)38-32(29)42-20-26-13-23-10-24(14-26)18-28(42)17-23/h21-28,43-46H,1-20H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	7.4	22
University of Tennessee Health Science Center					Assay Description The compounds were tested to determine their ENT1 nucleoside transporter binding ability by a flow cytometric assay using human leukemia K562 cells i...				J Med Chem 50: 3906-20 (2007) Article DOI: 10.1021/jm070311l BindingDB Entry DOI: 10.7270/Q2XK8CVN
					More data for this Ligand-Target Pair
Equilibrative nucleoside transporter 1 (Homo sapiens (Human))	BDBM23638 (2-{[4,8-bis({4-azatricyclo[4.3.1.1^{3,8}]undecan-4...) Show SMILES OCCNc1nc(N2CC3CC4CC(C3)CC2C4)c2nc(NCCO)nc(N3CC4CC5CC(C4)CC3C5)c2n1 |TLB:8:9:17.16.15:12,14:13:17:10.9.8.7,14:9:17:15.12.13,28:29:37.36.35:32,34:33:37:30.29.28.27,34:29:37:35.32.33,THB:26:27:37:35.32.33,6:7:17:15.12.13,7:16:12:10.9.14,27:36:32:30.29.34| Show InChI InChI=1S/C30H44N8O2/c39-3-1-31-29-33-25-26(27(35-29)37-15-21-7-17-5-18(8-21)12-23(37)11-17)34-30(32-2-4-40)36-28(25)38-16-22-9-19-6-20(10-22)14-24(38)13-19/h17-24,39-40H,1-16H2,(H,31,33,35)(H,32,34,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	7.4	22
University of Tennessee Health Science Center					Assay Description The compounds were tested to determine their ENT1 nucleoside transporter binding ability by a flow cytometric assay using human leukemia K562 cells i...				J Med Chem 50: 3906-20 (2007) Article DOI: 10.1021/jm070311l BindingDB Entry DOI: 10.7270/Q2XK8CVN
					More data for this Ligand-Target Pair
Equilibrative nucleoside transporter 1 (Homo sapiens (Human))	BDBM23640 (2-{[4,8-bis(dimethylamino)-6-[(2-hydroxyethyl)amin...) Show SMILES CN(C)c1nc(NCCO)nc2c(nc(NCCO)nc12)N(C)C Show InChI InChI=1S/C14H24N8O2/c1-21(2)11-9-10(18-13(19-11)15-5-7-23)12(22(3)4)20-14(17-9)16-6-8-24/h23-24H,5-8H2,1-4H3,(H,15,18,19)(H,16,17,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	7.4	22
University of Tennessee Health Science Center					Assay Description The compounds were tested to determine their ENT1 nucleoside transporter binding ability by a flow cytometric assay using human leukemia K562 cells i...				J Med Chem 50: 3906-20 (2007) Article DOI: 10.1021/jm070311l BindingDB Entry DOI: 10.7270/Q2XK8CVN
					More data for this Ligand-Target Pair
Equilibrative nucleoside transporter 1 (Homo sapiens (Human))	BDBM23642 (2-{[4,8-bis(diethylamino)-6-[(2-hydroxyethyl)amino...) Show SMILES CCN(CC)c1nc(NCCO)nc2c(nc(NCCO)nc12)N(CC)CC Show InChI InChI=1S/C18H32N8O2/c1-5-25(6-2)15-13-14(22-17(23-15)19-9-11-27)16(26(7-3)8-4)24-18(21-13)20-10-12-28/h27-28H,5-12H2,1-4H3,(H,19,22,23)(H,20,21,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	7.4	22
University of Tennessee Health Science Center					Assay Description The compounds were tested to determine their ENT1 nucleoside transporter binding ability by a flow cytometric assay using human leukemia K562 cells i...				J Med Chem 50: 3906-20 (2007) Article DOI: 10.1021/jm070311l BindingDB Entry DOI: 10.7270/Q2XK8CVN
					More data for this Ligand-Target Pair
Equilibrative nucleoside transporter 1 (Homo sapiens (Human))	BDBM23643 (2-({6-[bis(2-hydroxyethyl)amino]-4,8-bis(dipropyla...) Show SMILES CCCN(CCC)c1nc(nc2c(nc(nc12)N(CCO)CCO)N(CCC)CCC)N(CCO)CCO Show InChI InChI=1S/C26H48N8O4/c1-5-9-31(10-6-2)23-21-22(28-25(29-23)33(13-17-35)14-18-36)24(32(11-7-3)12-8-4)30-26(27-21)34(15-19-37)16-20-38/h35-38H,5-20H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	7.4	22
University of Tennessee Health Science Center					Assay Description The compounds were tested to determine their ENT1 nucleoside transporter binding ability by a flow cytometric assay using human leukemia K562 cells i...				J Med Chem 50: 3906-20 (2007) Article DOI: 10.1021/jm070311l BindingDB Entry DOI: 10.7270/Q2XK8CVN
					More data for this Ligand-Target Pair
Equilibrative nucleoside transporter 1 (Homo sapiens (Human))	BDBM23644 (2-{[4,8-bis(dipropylamino)-6-[(2-hydroxyethyl)amin...) Show SMILES CCCN(CCC)c1nc(NCCO)nc2c(nc(NCCO)nc12)N(CCC)CCC Show InChI InChI=1S/C22H40N8O2/c1-5-11-29(12-6-2)19-17-18(26-21(27-19)23-9-15-31)20(30(13-7-3)14-8-4)28-22(25-17)24-10-16-32/h31-32H,5-16H2,1-4H3,(H,23,26,27)(H,24,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	7.4	22
University of Tennessee Health Science Center					Assay Description The compounds were tested to determine their ENT1 nucleoside transporter binding ability by a flow cytometric assay using human leukemia K562 cells i...				J Med Chem 50: 3906-20 (2007) Article DOI: 10.1021/jm070311l BindingDB Entry DOI: 10.7270/Q2XK8CVN
					More data for this Ligand-Target Pair
Equilibrative nucleoside transporter 1 (Homo sapiens (Human))	BDBM23645 (2-({6-[bis(2-hydroxyethyl)amino]-4,8-bis(dibutylam...) Show SMILES CCCCN(CCCC)c1nc(nc2c(nc(nc12)N(CCO)CCO)N(CCCC)CCCC)N(CCO)CCO Show InChI InChI=1S/C30H56N8O4/c1-5-9-13-35(14-10-6-2)27-25-26(32-29(33-27)37(17-21-39)18-22-40)28(36(15-11-7-3)16-12-8-4)34-30(31-25)38(19-23-41)20-24-42/h39-42H,5-24H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	7.4	22
University of Tennessee Health Science Center					Assay Description The compounds were tested to determine their ENT1 nucleoside transporter binding ability by a flow cytometric assay using human leukemia K562 cells i...				J Med Chem 50: 3906-20 (2007) Article DOI: 10.1021/jm070311l BindingDB Entry DOI: 10.7270/Q2XK8CVN
					More data for this Ligand-Target Pair
Equilibrative nucleoside transporter 1 (Homo sapiens (Human))	BDBM23646 (2-{[4,8-bis(dibutylamino)-6-[(2-hydroxyethyl)amino...) Show SMILES CCCCN(CCCC)c1nc(NCCO)nc2c(nc(NCCO)nc12)N(CCCC)CCCC Show InChI InChI=1S/C26H48N8O2/c1-5-9-15-33(16-10-6-2)23-21-22(30-25(31-23)27-13-19-35)24(32-26(29-21)28-14-20-36)34(17-11-7-3)18-12-8-4/h35-36H,5-20H2,1-4H3,(H,27,30,31)(H,28,29,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center					Assay Description The compounds were tested to determine their ENT1 nucleoside transporter binding ability by a flow cytometric assay using human leukemia K562 cells i...				J Med Chem 50: 3906-20 (2007) Article DOI: 10.1021/jm070311l BindingDB Entry DOI: 10.7270/Q2XK8CVN
					More data for this Ligand-Target Pair
Equilibrative nucleoside transporter 1 (Homo sapiens (Human))	BDBM23647 (2-({6-[bis(2-hydroxyethyl)amino]-4,8-bis[bis(2-met...) Show SMILES CC(C)CN(CC(C)C)c1nc(nc2c(nc(nc12)N(CCO)CCO)N(CC(C)C)CC(C)C)N(CCO)CCO Show InChI InChI=1S/C30H56N8O4/c1-21(2)17-37(18-22(3)4)27-25-26(32-29(33-27)35(9-13-39)10-14-40)28(38(19-23(5)6)20-24(7)8)34-30(31-25)36(11-15-41)12-16-42/h21-24,39-42H,9-20H2,1-8H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center					Assay Description The compounds were tested to determine their ENT1 nucleoside transporter binding ability by a flow cytometric assay using human leukemia K562 cells i...				J Med Chem 50: 3906-20 (2007) Article DOI: 10.1021/jm070311l BindingDB Entry DOI: 10.7270/Q2XK8CVN
					More data for this Ligand-Target Pair
Equilibrative nucleoside transporter 1 (Homo sapiens (Human))	BDBM23648 (2-({4,8-bis[bis(2-methylpropyl)amino]-6-[(2-hydrox...) Show SMILES CC(C)CN(CC(C)C)c1nc(NCCO)nc2c(nc(NCCO)nc12)N(CC(C)C)CC(C)C Show InChI InChI=1S/C26H48N8O2/c1-17(2)13-33(14-18(3)4)23-21-22(30-25(31-23)27-9-11-35)24(32-26(29-21)28-10-12-36)34(15-19(5)6)16-20(7)8/h17-20,35-36H,9-16H2,1-8H3,(H,27,30,31)(H,28,29,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center					Assay Description The compounds were tested to determine their ENT1 nucleoside transporter binding ability by a flow cytometric assay using human leukemia K562 cells i...				J Med Chem 50: 3906-20 (2007) Article DOI: 10.1021/jm070311l BindingDB Entry DOI: 10.7270/Q2XK8CVN
					More data for this Ligand-Target Pair
Equilibrative nucleoside transporter 1 (Homo sapiens (Human))	BDBM23649 (2-({6-[bis(2-hydroxyethyl)amino]-4,8-bis(dipentyla...) Show SMILES CCCCCN(CCCCC)c1nc(nc2c(nc(nc12)N(CCO)CCO)N(CCCCC)CCCCC)N(CCO)CCO Show InChI InChI=1S/C34H64N8O4/c1-5-9-13-17-39(18-14-10-6-2)31-29-30(36-33(37-31)41(21-25-43)22-26-44)32(38-34(35-29)42(23-27-45)24-28-46)40(19-15-11-7-3)20-16-12-8-4/h43-46H,5-28H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center					Assay Description The compounds were tested to determine their ENT1 nucleoside transporter binding ability by a flow cytometric assay using human leukemia K562 cells i...				J Med Chem 50: 3906-20 (2007) Article DOI: 10.1021/jm070311l BindingDB Entry DOI: 10.7270/Q2XK8CVN
					More data for this Ligand-Target Pair

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