Compile Data Set for Download or QSAR

Found 47 hits of non-affinity data for polymerid = 2421   

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))	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
Equilibrative nucleoside transporter 1 (Homo sapiens (Human))	BDBM23650 (2-{[4,8-bis(dipentylamino)-6-[(2-hydroxyethyl)amin...) Show SMILES CCCCCN(CCCCC)c1nc(NCCO)nc2c(nc(NCCO)nc12)N(CCCCC)CCCCC Show InChI InChI=1S/C30H56N8O2/c1-5-9-13-19-37(20-14-10-6-2)27-25-26(34-29(35-27)31-17-23-39)28(36-30(33-25)32-18-24-40)38(21-15-11-7-3)22-16-12-8-4/h39-40H,5-24H2,1-4H3,(H,31,34,35)(H,32,33,36)	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	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))	BDBM23651 (2-({6-[bis(2-hydroxyethyl)amino]-4,8-bis[bis(3-met...) Show SMILES CC(C)CCN(CCC(C)C)c1nc(nc2c(nc(nc12)N(CCO)CCO)N(CCC(C)C)CCC(C)C)N(CCO)CCO Show InChI InChI=1S/C34H64N8O4/c1-25(2)9-13-39(14-10-26(3)4)31-29-30(36-33(37-31)41(17-21-43)18-22-44)32(38-34(35-29)42(19-23-45)20-24-46)40(15-11-27(5)6)16-12-28(7)8/h25-28,43-46H,9-24H2,1-8H3	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))	BDBM23652 (2-({4,8-bis[bis(3-methylbutyl)amino]-6-[(2-hydroxy...) Show SMILES CC(C)CCN(CCC(C)C)c1nc(NCCO)nc2c(nc(NCCO)nc12)N(CCC(C)C)CCC(C)C Show InChI InChI=1S/C30H56N8O2/c1-21(2)9-15-37(16-10-22(3)4)27-25-26(34-29(35-27)31-13-19-39)28(36-30(33-25)32-14-20-40)38(17-11-23(5)6)18-12-24(7)8/h21-24,39-40H,9-20H2,1-8H3,(H,31,34,35)(H,32,33,36)	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	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))	BDBM23653 (2-({6-[bis(2-hydroxyethyl)amino]-4,8-bis[bis(2-met...) Show SMILES COCCN(CCOC)c1nc(nc2c(nc(nc12)N(CCO)CCO)N(CCOC)CCOC)N(CCO)CCO Show InChI InChI=1S/C26H48N8O8/c1-39-17-9-31(10-18-40-2)23-21-22(28-25(29-23)33(5-13-35)6-14-36)24(32(11-19-41-3)12-20-42-4)30-26(27-21)34(7-15-37)8-16-38/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	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))	BDBM23654 (2-({4,8-bis[bis(2-methoxyethyl)amino]-6-[(2-hydrox...) Show SMILES COCCN(CCOC)c1nc(NCCO)nc2c(nc(NCCO)nc12)N(CCOC)CCOC Show InChI InChI=1S/C22H40N8O6/c1-33-13-7-29(8-14-34-2)19-17-18(26-21(27-19)23-5-11-31)20(28-22(25-17)24-6-12-32)30(9-15-35-3)10-16-36-4/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	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))	BDBM23655 (2-({6-[bis(2-hydroxyethyl)amino]-4,8-bis(dibenzyla...) Show SMILES OCCN(CCO)c1nc(N(Cc2ccccc2)Cc2ccccc2)c2nc(nc(N(Cc3ccccc3)Cc3ccccc3)c2n1)N(CCO)CCO Show InChI InChI=1S/C42H48N8O4/c51-25-21-47(22-26-52)41-44-38-37(39(45-41)49(29-33-13-5-1-6-14-33)30-34-15-7-2-8-16-34)43-42(48(23-27-53)24-28-54)46-40(38)50(31-35-17-9-3-10-18-35)32-36-19-11-4-12-20-36/h1-20,51-54H,21-32H2	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))	BDBM23656 (2-{[4,8-bis(dibenzylamino)-6-[(2-hydroxyethyl)amin...) Show SMILES OCCNc1nc(N(Cc2ccccc2)Cc2ccccc2)c2nc(NCCO)nc(N(Cc3ccccc3)Cc3ccccc3)c2n1 Show InChI InChI=1S/C38H40N8O2/c47-23-21-39-37-42-34-33(35(43-37)45(25-29-13-5-1-6-14-29)26-30-15-7-2-8-16-30)41-38(40-22-24-48)44-36(34)46(27-31-17-9-3-10-18-31)28-32-19-11-4-12-20-32/h1-20,47-48H,21-28H2,(H,39,42,43)(H,40,41,44)	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))	BDBM23657 (2-({4,8-diamino-6-[bis(2-hydroxyethyl)amino]pyrimi...) Show SMILES Nc1nc(nc2c(N)nc(nc12)N(CCO)CCO)N(CCO)CCO Show InChI InChI=1S/C14H24N8O4/c15-11-10-9(17-13(19-11)21(1-5-23)2-6-24)12(16)20-14(18-10)22(3-7-25)4-8-26/h23-26H,1-8H2,(H2,15,17,19)(H2,16,18,20)	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	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))	BDBM23658 (2-({6-[bis(2-hydroxyethyl)amino]-4,8-bis(methylami...) Show SMILES CNc1nc(nc2c(NC)nc(nc12)N(CCO)CCO)N(CCO)CCO Show InChI InChI=1S/C16H28N8O4/c1-17-13-11-12(20-15(21-13)23(3-7-25)4-8-26)14(18-2)22-16(19-11)24(5-9-27)6-10-28/h25-28H,3-10H2,1-2H3,(H,17,20,21)(H,18,19,22)	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))	BDBM23659 (2-({6-[(2-hydroxyethyl)amino]-4,8-bis(methylamino)...) Show SMILES CNc1nc(NCCO)nc2c(NC)nc(NCCO)nc12 Show InChI InChI=1S/C12H20N8O2/c1-13-9-7-8(18-11(19-9)15-3-5-21)10(14-2)20-12(17-7)16-4-6-22/h21-22H,3-6H2,1-2H3,(H2,13,15,18,19)(H2,14,16,17,20)	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	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))	BDBM23660 (2-({6-[bis(2-hydroxyethyl)amino]-4,8-bis(ethylamin...) Show SMILES CCNc1nc(nc2c(NCC)nc(nc12)N(CCO)CCO)N(CCO)CCO Show InChI InChI=1S/C18H32N8O4/c1-3-19-15-13-14(22-17(23-15)25(5-9-27)6-10-28)16(20-4-2)24-18(21-13)26(7-11-29)8-12-30/h27-30H,3-12H2,1-2H3,(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	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))	BDBM23661 (2-{[4,8-bis(ethylamino)-6-[(2-hydroxyethyl)amino]p...) Show SMILES CCNc1nc(NCCO)nc2c(NCC)nc(NCCO)nc12 Show InChI InChI=1S/C14H24N8O2/c1-3-15-11-9-10(20-13(21-11)17-5-7-23)12(16-4-2)22-14(19-9)18-6-8-24/h23-24H,3-8H2,1-2H3,(H2,15,17,20,21)(H2,16,18,19,22)	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))	BDBM23663 (2-({6-[(2-hydroxyethyl)amino]-4,8-bis(propylamino)...) Show SMILES CCCNc1nc(NCCO)nc2c(NCCC)nc(NCCO)nc12 Show InChI InChI=1S/C16H28N8O2/c1-3-5-17-13-11-12(22-15(23-13)19-7-9-25)14(18-6-4-2)24-16(21-11)20-8-10-26/h25-26H,3-10H2,1-2H3,(H2,17,19,22,23)(H2,18,20,21,24)	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	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))	BDBM23665 (2-({6-[(2-hydroxyethyl)amino]-4,8-bis(propan-2-yla...) Show SMILES CC(C)Nc1nc(NCCO)nc2c(NC(C)C)nc(NCCO)nc12 Show InChI InChI=1S/C16H28N8O2/c1-9(2)19-13-11-12(22-15(23-13)17-5-7-25)14(20-10(3)4)24-16(21-11)18-6-8-26/h9-10,25-26H,5-8H2,1-4H3,(H2,17,19,22,23)(H2,18,20,21,24)	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	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))	BDBM23669 (2-({6-[(2-hydroxyethyl)amino]-4,8-bis[(2-methylpro...) Show SMILES CC(C)CNc1nc(NCCO)nc2c(NCC(C)C)nc(NCCO)nc12 Show InChI InChI=1S/C18H32N8O2/c1-11(2)9-21-15-13-14(24-17(25-15)19-5-7-27)16(22-10-12(3)4)26-18(23-13)20-6-8-28/h11-12,27-28H,5-10H2,1-4H3,(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	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))	BDBM23671 (2-{[4,8-bis(tert-butylamino)-6-[(2-hydroxyethyl)am...) Show SMILES CC(C)(C)Nc1nc(NCCO)nc2c(NC(C)(C)C)nc(NCCO)nc12 Show InChI InChI=1S/C18H32N8O2/c1-17(2,3)25-13-11-12(22-15(23-13)19-7-9-27)14(26-18(4,5)6)24-16(21-11)20-8-10-28/h27-28H,7-10H2,1-6H3,(H2,19,22,23,25)(H2,20,21,24,26)	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))	BDBM23673 (2-({6-[(2-hydroxyethyl)amino]-4,8-bis(pentylamino)...) Show SMILES CCCCCNc1nc(NCCO)nc2c(NCCCCC)nc(NCCO)nc12 Show InChI InChI=1S/C20H36N8O2/c1-3-5-7-9-21-17-15-16(26-19(27-17)23-11-13-29)18(22-10-8-6-4-2)28-20(25-15)24-12-14-30/h29-30H,3-14H2,1-2H3,(H2,21,23,26,27)(H2,22,24,25,28)	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	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))	BDBM23675 (2-({6-[(2-hydroxyethyl)amino]-4,8-bis[(3-methylbut...) Show SMILES CC(C)CCNc1nc(NCCO)nc2c(NCCC(C)C)nc(NCCO)nc12 Show InChI InChI=1S/C20H36N8O2/c1-13(2)5-7-21-17-15-16(26-19(27-17)23-9-11-29)18(22-8-6-14(3)4)28-20(25-15)24-10-12-30/h13-14,29-30H,5-12H2,1-4H3,(H2,21,23,26,27)(H2,22,24,25,28)	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	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))	BDBM23677 (2-({4,8-bis[(2,2-dimethylpropyl)amino]-6-[(2-hydro...) Show SMILES CC(C)(C)CNc1nc(NCCO)nc2c(NCC(C)(C)C)nc(NCCO)nc12 Show InChI InChI=1S/C20H36N8O2/c1-19(2,3)11-23-15-13-14(26-17(27-15)21-7-9-29)16(24-12-20(4,5)6)28-18(25-13)22-8-10-30/h29-30H,7-12H2,1-6H3,(H2,21,23,26,27)(H2,22,24,25,28)	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	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))	BDBM23679 (2-{[4,8-bis(cyclopropylamino)-6-[(2-hydroxyethyl)a...) Show SMILES OCCNc1nc(NC2CC2)c2nc(NCCO)nc(NC3CC3)c2n1 Show InChI InChI=1S/C16H24N8O2/c25-7-5-17-15-22-12-11(13(23-15)19-9-1-2-9)21-16(18-6-8-26)24-14(12)20-10-3-4-10/h9-10,25-26H,1-8H2,(H2,17,19,22,23)(H2,18,20,21,24)	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	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))	BDBM23681 (2-{[4,8-bis(cyclobutylamino)-6-[(2-hydroxyethyl)am...) Show SMILES OCCNc1nc(NC2CCC2)c2nc(NCCO)nc(NC3CCC3)c2n1 Show InChI InChI=1S/C18H28N8O2/c27-9-7-19-17-24-14-13(15(25-17)21-11-3-1-4-11)23-18(20-8-10-28)26-16(14)22-12-5-2-6-12/h11-12,27-28H,1-10H2,(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	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))	BDBM23683 (2-{[4,8-bis(cyclopentylamino)-6-[(2-hydroxyethyl)a...) Show SMILES OCCNc1nc(NC2CCCC2)c2nc(NCCO)nc(NC3CCCC3)c2n1 Show InChI InChI=1S/C20H32N8O2/c29-11-9-21-19-26-16-15(17(27-19)23-13-5-1-2-6-13)25-20(22-10-12-30)28-18(16)24-14-7-3-4-8-14/h13-14,29-30H,1-12H2,(H2,21,23,26,27)(H2,22,24,25,28)	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	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))	BDBM23685 (2-{[4,8-bis(cyclohexylamino)-6-[(2-hydroxyethyl)am...) Show SMILES OCCNc1nc(NC2CCCCC2)c2nc(NCCO)nc(NC3CCCCC3)c2n1 Show InChI InChI=1S/C22H36N8O2/c31-13-11-23-21-28-18-17(19(29-21)25-15-7-3-1-4-8-15)27-22(24-12-14-32)30-20(18)26-16-9-5-2-6-10-16/h15-16,31-32H,1-14H2,(H2,23,25,28,29)(H2,24,26,27,30)	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	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))	BDBM23686 (2-({6-[bis(2-hydroxyethyl)amino]-4,8-bis(phenylami...) Show SMILES OCCN(CCO)c1nc(Nc2ccccc2)c2nc(nc(Nc3ccccc3)c2n1)N(CCO)CCO Show InChI InChI=1S/C26H32N8O4/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/h1-10,35-38H,11-18H2,(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	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))	BDBM23687 (2-({6-[(2-hydroxyethyl)amino]-4,8-bis(phenylamino)...) Show SMILES OCCNc1nc(Nc2ccccc2)c2nc(NCCO)nc(Nc3ccccc3)c2n1 Show InChI InChI=1S/C22H24N8O2/c31-13-11-23-21-28-18-17(19(29-21)25-15-7-3-1-4-8-15)27-22(24-12-14-32)30-20(18)26-16-9-5-2-6-10-16/h1-10,31-32H,11-14H2,(H2,23,25,28,29)(H2,24,26,27,30)	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	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))	BDBM23688 (2-{[4,8-bis(benzylamino)-6-[bis(2-hydroxyethyl)ami...) Show SMILES OCCN(CCO)c1nc(NCc2ccccc2)c2nc(nc(NCc3ccccc3)c2n1)N(CCO)CCO Show InChI InChI=1S/C28H36N8O4/c37-15-11-35(12-16-38)27-32-24-23(25(33-27)29-19-21-7-3-1-4-8-21)31-28(36(13-17-39)14-18-40)34-26(24)30-20-22-9-5-2-6-10-22/h1-10,37-40H,11-20H2,(H,29,32,33)(H,30,31,34)	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))	BDBM23689 (2-{[4,8-bis(benzylamino)-6-[(2-hydroxyethyl)amino]...) Show SMILES OCCNc1nc(NCc2ccccc2)c2nc(NCCO)nc(NCc3ccccc3)c2n1 Show InChI InChI=1S/C24H28N8O2/c33-13-11-25-23-30-20-19(21(31-23)27-15-17-7-3-1-4-8-17)29-24(26-12-14-34)32-22(20)28-16-18-9-5-2-6-10-18/h1-10,33-34H,11-16H2,(H2,25,27,30,31)(H2,26,28,29,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents 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))	BDBM23691 (4-[6-(morpholin-4-yl)-4,8-bis(piperidin-1-yl)pyrim...) Show SMILES C1CCN(CC1)c1nc(nc2c(nc(nc12)N1CCOCC1)N1CCCCC1)N1CCOCC1 Show InChI InChI=1S/C24H36N8O2/c1-3-7-29(8-4-1)21-19-20(26-23(27-21)31-11-15-33-16-12-31)22(30-9-5-2-6-10-30)28-24(25-19)32-13-17-34-18-14-32/h1-18H2	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))	BDBM23695 (2-N,2-N,6-N,6-N-tetrakis(2-ethoxyethyl)-4,8-bis(pi...) Show SMILES CCOCCN(CCOCC)c1nc(N2CCCCC2)c2nc(nc(N3CCCCC3)c2n1)N(CCOCC)CCOCC Show InChI InChI=1S/C32H56N8O4/c1-5-41-23-19-39(20-24-42-6-2)31-33-27-28(29(35-31)37-15-11-9-12-16-37)34-32(36-30(27)38-17-13-10-14-18-38)40(21-25-43-7-3)22-26-44-8-4/h5-26H2,1-4H3	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))	BDBM23625 (2-({6-[(2-hydroxyethyl)amino]-4,8-bis(morpholin-4-...) Show SMILES OCCNc1nc(N2CCOCC2)c2nc(NCCO)nc(N3CCOCC3)c2n1 Show InChI InChI=1S/C18H28N8O4/c27-7-1-19-17-21-13-14(15(23-17)25-3-9-29-10-4-25)22-18(20-2-8-28)24-16(13)26-5-11-30-12-6-26/h27-28H,1-12H2,(H,19,21,23)(H,20,22,24)	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