Compile Data Set for Download or QSAR

Found 118 hits Enz. Inhib. hit(s) with all data for entry = 9254   

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
Solute carrier family 2, facilitated glucose transporter member 1 (Homo sapiens (Human))	BDBM453270 (2-(3-(4-((4-(1H-pyrazol-4-yl)phenyl)amino)-6-acety...) Show SMILES CCC(CC)NC(=O)COc1cccc(c1)-c1nc2CN(Cc2c(Nc2ccc(cc2)-c2cn[nH]c2)n1)C(C)=O Show InChI InChI=1S/C30H33N7O3/c1-4-23(5-2)33-28(39)18-40-25-8-6-7-21(13-25)29-35-27-17-37(19(3)38)16-26(27)30(36-29)34-24-11-9-20(10-12-24)22-14-31-32-15-22/h6-15,23H,4-5,16-18H2,1-3H3,(H,31,32)(H,33,39)(H,34,35,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
KADMON CORPORATION, LLC US Patent					Assay Description HT1080 cells (as well as other cell types) were plated to confluency in 96-well plates. Cells were exposed to the combination of 10 μM Oligomyci...				US Patent US10729691 (2020) BindingDB Entry DOI: 10.7270/Q2417142
					More data for this Ligand-Target Pair
Solute carrier family 2, facilitated glucose transporter member 1 (Homo sapiens (Human))	BDBM453266 (2-(3-(4-((4-(1H-pyrazol-4-yl)phenyl)amino)-7,8-dih...) Show SMILES O=C(COc1cccc(c1)-c1nc2CCOCc2c(Nc2ccc(cc2)-c2cn[nH]c2)n1)NC1CCCC1 Show InChI InChI=1S/C29H30N6O3/c36-27(32-22-5-1-2-6-22)18-38-24-7-3-4-20(14-24)28-34-26-12-13-37-17-25(26)29(35-28)33-23-10-8-19(9-11-23)21-15-30-31-16-21/h3-4,7-11,14-16,22H,1-2,5-6,12-13,17-18H2,(H,30,31)(H,32,36)(H,33,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
KADMON CORPORATION, LLC US Patent					Assay Description HT1080 cells (as well as other cell types) were plated to confluency in 96-well plates. Cells were exposed to the combination of 10 μM Oligomyci...				US Patent US10729691 (2020) BindingDB Entry DOI: 10.7270/Q2417142
					More data for this Ligand-Target Pair
Solute carrier family 2, facilitated glucose transporter member 1 (Homo sapiens (Human))	BDBM453271 (2-(3-(4-((4-(1H-pyrazol-4-yl)phenyl)amino)-6-acety...) Show SMILES CC(=O)N1Cc2nc(nc(Nc3ccc(cc3)-c3cn[nH]c3)c2C1)-c1cccc(OCC(=O)NC(C)(C)C)c1 Show InChI InChI=1S/C29H31N7O3/c1-18(37)36-15-24-25(16-36)33-27(20-6-5-7-23(12-20)39-17-26(38)35-29(2,3)4)34-28(24)32-22-10-8-19(9-11-22)21-13-30-31-14-21/h5-14H,15-17H2,1-4H3,(H,30,31)(H,35,38)(H,32,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
KADMON CORPORATION, LLC US Patent					Assay Description HT1080 cells (as well as other cell types) were plated to confluency in 96-well plates. Cells were exposed to the combination of 10 μM Oligomyci...				US Patent US10729691 (2020) BindingDB Entry DOI: 10.7270/Q2417142
					More data for this Ligand-Target Pair
Solute carrier family 2, facilitated glucose transporter member 1 (Homo sapiens (Human))	BDBM453272 (2-(3-(4-((4-(1H-pyrazol-4-yl)phenyl)amino)-6-acety...) Show SMILES CC(=O)N1CCc2nc(nc(Nc3ccc(cc3)-c3cn[nH]c3)c2C1)-c1cccc(OCC(=O)NC2CCCC2)c1 Show InChI InChI=1S/C31H33N7O3/c1-20(39)38-14-13-28-27(18-38)31(35-25-11-9-21(10-12-25)23-16-32-33-17-23)37-30(36-28)22-5-4-8-26(15-22)41-19-29(40)34-24-6-2-3-7-24/h4-5,8-12,15-17,24H,2-3,6-7,13-14,18-19H2,1H3,(H,32,33)(H,34,40)(H,35,36,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
KADMON CORPORATION, LLC US Patent					Assay Description HT1080 cells (as well as other cell types) were plated to confluency in 96-well plates. Cells were exposed to the combination of 10 μM Oligomyci...				US Patent US10729691 (2020) BindingDB Entry DOI: 10.7270/Q2417142
					More data for this Ligand-Target Pair
Solute carrier family 2, facilitated glucose transporter member 1 (Homo sapiens (Human))	BDBM453273 (2-(3-(4-((4-(1H-pyrazol-4-yl)phenyl)amino)pyrido[4...) Show SMILES CC(C)(C)NC(=O)COc1cccc(c1)-c1nc(Nc2ccc(cc2)-c2cn[nH]c2)c2cnccc2n1 Show InChI InChI=1S/C28H27N7O2/c1-28(2,3)35-25(36)17-37-22-6-4-5-19(13-22)26-33-24-11-12-29-16-23(24)27(34-26)32-21-9-7-18(8-10-21)20-14-30-31-15-20/h4-16H,17H2,1-3H3,(H,30,31)(H,35,36)(H,32,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
KADMON CORPORATION, LLC US Patent					Assay Description HT1080 cells (as well as other cell types) were plated to confluency in 96-well plates. Cells were exposed to the combination of 10 μM Oligomyci...				US Patent US10729691 (2020) BindingDB Entry DOI: 10.7270/Q2417142
					More data for this Ligand-Target Pair
Solute carrier family 2, facilitated glucose transporter member 1 (Homo sapiens (Human))	BDBM453274 (2-(3-(4-((4-(1H-pyrazol-4-yl)phenyl)amino)-6-acety...) Show SMILES CC(C)CNC(=O)COc1cccc(c1)-c1nc2CCN(Cc2c(Nc2ccc(cc2)-c2cn[nH]c2)n1)C(C)=O Show InChI InChI=1S/C30H33N7O3/c1-19(2)14-31-28(39)18-40-25-6-4-5-22(13-25)29-35-27-11-12-37(20(3)38)17-26(27)30(36-29)34-24-9-7-21(8-10-24)23-15-32-33-16-23/h4-10,13,15-16,19H,11-12,14,17-18H2,1-3H3,(H,31,39)(H,32,33)(H,34,35,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
KADMON CORPORATION, LLC US Patent					Assay Description HT1080 cells (as well as other cell types) were plated to confluency in 96-well plates. Cells were exposed to the combination of 10 μM Oligomyci...				US Patent US10729691 (2020) BindingDB Entry DOI: 10.7270/Q2417142
					More data for this Ligand-Target Pair
Solute carrier family 2, facilitated glucose transporter member 1 (Homo sapiens (Human))	BDBM453216 (2-(3-(4-((4-(1H-pyrazol-4-yl)phenyl)amino)-6-isobu...) Show SMILES CC(C)NC(=O)COc1cccc(c1)-c1nc2CCN(Cc2c(Nc2ccc(cc2)-c2cn[nH]c2)n1)C(=O)C(C)C Show InChI InChI=1S/C31H35N7O3/c1-19(2)31(40)38-13-12-27-26(17-38)30(35-24-10-8-21(9-11-24)23-15-32-33-16-23)37-29(36-27)22-6-5-7-25(14-22)41-18-28(39)34-20(3)4/h5-11,14-16,19-20H,12-13,17-18H2,1-4H3,(H,32,33)(H,34,39)(H,35,36,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
KADMON CORPORATION, LLC US Patent					Assay Description HT1080 cells (as well as other cell types) were plated to confluency in 96-well plates. Cells were exposed to the combination of 10 μM Oligomyci...				US Patent US10729691 (2020) BindingDB Entry DOI: 10.7270/Q2417142
					More data for this Ligand-Target Pair
Putative sugar transporter (Plasmodium falciparum)	BDBM453216 (2-(3-(4-((4-(1H-pyrazol-4-yl)phenyl)amino)-6-isobu...) Show SMILES CC(C)NC(=O)COc1cccc(c1)-c1nc2CCN(Cc2c(Nc2ccc(cc2)-c2cn[nH]c2)n1)C(=O)C(C)C Show InChI InChI=1S/C31H35N7O3/c1-19(2)31(40)38-13-12-27-26(17-38)30(35-24-10-8-21(9-11-24)23-15-32-33-16-23)37-29(36-27)22-6-5-7-25(14-22)41-18-28(39)34-20(3)4/h5-11,14-16,19-20H,12-13,17-18H2,1-4H3,(H,32,33)(H,34,39)(H,35,36,37)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
KADMON CORPORATION, LLC US Patent					Assay Description Parasite cultures were seeded in 96-well plates (1% hematocrit, 1-2% starting parasitemia, 100 μL total volume) with varying concentrations of t...				US Patent US10729691 (2020) BindingDB Entry DOI: 10.7270/Q2417142
					More data for this Ligand-Target Pair
Solute carrier family 2, facilitated glucose transporter member 1 (Homo sapiens (Human))	BDBM453217 (2-(3-(4-((4-(1H-pyrazol-4-yl)phenyl)amino)-5,7-dih...) Show SMILES CC(C)NC(=O)COc1cccc(c1)-c1nc2COCc2c(Nc2ccc(cc2)-c2cn[nH]c2)n1 Show InChI InChI=1S/C26H26N6O3/c1-16(2)29-24(33)15-35-21-5-3-4-18(10-21)25-31-23-14-34-13-22(23)26(32-25)30-20-8-6-17(7-9-20)19-11-27-28-12-19/h3-12,16H,13-15H2,1-2H3,(H,27,28)(H,29,33)(H,30,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
KADMON CORPORATION, LLC US Patent					Assay Description HT1080 cells (as well as other cell types) were plated to confluency in 96-well plates. Cells were exposed to the combination of 10 μM Oligomyci...				US Patent US10729691 (2020) BindingDB Entry DOI: 10.7270/Q2417142
					More data for this Ligand-Target Pair
Solute carrier family 2, facilitated glucose transporter member 1 (Homo sapiens (Human))	BDBM453218 (US10729691, Example 3) Show SMILES CC(C)NC(=O)COc1cccc(c1)-c1nc(Nc2ccc3[nH]ncc3c2)c2sccc2n1 Show InChI InChI=1S/C24H22N6O2S/c1-14(2)26-21(31)13-32-18-5-3-4-15(11-18)23-28-20-8-9-33-22(20)24(29-23)27-17-6-7-19-16(10-17)12-25-30-19/h3-12,14H,13H2,1-2H3,(H,25,30)(H,26,31)(H,27,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
KADMON CORPORATION, LLC US Patent					Assay Description HT1080 cells (as well as other cell types) were plated to confluency in 96-well plates. Cells were exposed to the combination of 10 μM Oligomyci...				US Patent US10729691 (2020) BindingDB Entry DOI: 10.7270/Q2417142
					More data for this Ligand-Target Pair
Putative sugar transporter (Plasmodium falciparum)	BDBM453221 (US10729691, Example 6) Show SMILES O=C(COc1cccc(c1)-c1nc(Nc2ccc(cc2)-c2cn[nH]c2)c2sccc2n1)NC1CCC1 Show InChI InChI=1S/C27H24N6O2S/c34-24(30-20-4-2-5-20)16-35-22-6-1-3-18(13-22)26-32-23-11-12-36-25(23)27(33-26)31-21-9-7-17(8-10-21)19-14-28-29-15-19/h1,3,6-15,20H,2,4-5,16H2,(H,28,29)(H,30,34)(H,31,32,33)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
KADMON CORPORATION, LLC US Patent					Assay Description Parasite cultures were seeded in 96-well plates (1% hematocrit, 1-2% starting parasitemia, 100 μL total volume) with varying concentrations of t...				US Patent US10729691 (2020) BindingDB Entry DOI: 10.7270/Q2417142
					More data for this Ligand-Target Pair
Solute carrier family 2, facilitated glucose transporter member 1 (Homo sapiens (Human))	BDBM453222 (US10729691, Example 7) Show SMILES O=C(COc1cccc(c1)-c1nc(Nc2ccc(cc2)-c2cn[nH]c2)c2sccc2n1)NC1CCCC1 Show InChI InChI=1S/C28H26N6O2S/c35-25(31-21-5-1-2-6-21)17-36-23-7-3-4-19(14-23)27-33-24-12-13-37-26(24)28(34-27)32-22-10-8-18(9-11-22)20-15-29-30-16-20/h3-4,7-16,21H,1-2,5-6,17H2,(H,29,30)(H,31,35)(H,32,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
KADMON CORPORATION, LLC US Patent					Assay Description HT1080 cells (as well as other cell types) were plated to confluency in 96-well plates. Cells were exposed to the combination of 10 μM Oligomyci...				US Patent US10729691 (2020) BindingDB Entry DOI: 10.7270/Q2417142
					More data for this Ligand-Target Pair
Putative sugar transporter (Plasmodium falciparum)	BDBM453222 (US10729691, Example 7) Show SMILES O=C(COc1cccc(c1)-c1nc(Nc2ccc(cc2)-c2cn[nH]c2)c2sccc2n1)NC1CCCC1 Show InChI InChI=1S/C28H26N6O2S/c35-25(31-21-5-1-2-6-21)17-36-23-7-3-4-19(14-23)27-33-24-12-13-37-26(24)28(34-27)32-22-10-8-18(9-11-22)20-15-29-30-16-20/h3-4,7-16,21H,1-2,5-6,17H2,(H,29,30)(H,31,35)(H,32,33,34)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
KADMON CORPORATION, LLC US Patent					Assay Description Parasite cultures were seeded in 96-well plates (1% hematocrit, 1-2% starting parasitemia, 100 μL total volume) with varying concentrations of t...				US Patent US10729691 (2020) BindingDB Entry DOI: 10.7270/Q2417142
					More data for this Ligand-Target Pair
Solute carrier family 2, facilitated glucose transporter member 1 (Homo sapiens (Human))	BDBM453227 (US10729691, Example 12) Show SMILES O=C(COc1cccc(c1)-c1nc2COCc2c(Nc2ccc(cc2)-c2cn[nH]c2)n1)NC1CCC1 Show InChI InChI=1S/C27H26N6O3/c34-25(30-20-4-2-5-20)16-36-22-6-1-3-18(11-22)26-32-24-15-35-14-23(24)27(33-26)31-21-9-7-17(8-10-21)19-12-28-29-13-19/h1,3,6-13,20H,2,4-5,14-16H2,(H,28,29)(H,30,34)(H,31,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
KADMON CORPORATION, LLC US Patent					Assay Description HT1080 cells (as well as other cell types) were plated to confluency in 96-well plates. Cells were exposed to the combination of 10 μM Oligomyci...				US Patent US10729691 (2020) BindingDB Entry DOI: 10.7270/Q2417142
					More data for this Ligand-Target Pair
Solute carrier family 2, facilitated glucose transporter member 1 (Homo sapiens (Human))	BDBM453228 (US10729691, Example 13) Show SMILES O=C(COc1cccc(c1)-c1nc2COCc2c(Nc2ccc(cc2)-c2cn[nH]c2)n1)NC1CCCC1 Show InChI InChI=1S/C28H28N6O3/c35-26(31-21-5-1-2-6-21)17-37-23-7-3-4-19(12-23)27-33-25-16-36-15-24(25)28(34-27)32-22-10-8-18(9-11-22)20-13-29-30-14-20/h3-4,7-14,21H,1-2,5-6,15-17H2,(H,29,30)(H,31,35)(H,32,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
KADMON CORPORATION, LLC US Patent					Assay Description HT1080 cells (as well as other cell types) were plated to confluency in 96-well plates. Cells were exposed to the combination of 10 μM Oligomyci...				US Patent US10729691 (2020) BindingDB Entry DOI: 10.7270/Q2417142
					More data for this Ligand-Target Pair
Putative sugar transporter (Plasmodium falciparum)	BDBM453231 (2-(3-(4-((4-(1H-pyrazol-4-yl)phenyl)amino)-1-methy...) Show SMILES CC(C)NC(=O)COc1cccc(c1)-c1nc(Nc2ccc(cc2)-c2cn[nH]c2)c2cnn(C)c2n1 Show InChI InChI=1S/C26H26N8O2/c1-16(2)30-23(35)15-36-21-6-4-5-18(11-21)24-32-25(22-14-29-34(3)26(22)33-24)31-20-9-7-17(8-10-20)19-12-27-28-13-19/h4-14,16H,15H2,1-3H3,(H,27,28)(H,30,35)(H,31,32,33)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
KADMON CORPORATION, LLC US Patent					Assay Description Parasite cultures were seeded in 96-well plates (1% hematocrit, 1-2% starting parasitemia, 100 μL total volume) with varying concentrations of t...				US Patent US10729691 (2020) BindingDB Entry DOI: 10.7270/Q2417142
					More data for this Ligand-Target Pair
Putative sugar transporter (Plasmodium falciparum)	BDBM453233 (2-(3-(4-((4-(1H-pyrazol-4-yl)phenyl)amino)-1-methy...) Show SMILES CC(C)CNC(=O)COc1cccc(c1)-c1nc(Nc2ccc(cc2)-c2cn[nH]c2)c2cnn(C)c2n1 Show InChI InChI=1S/C27H28N8O2/c1-17(2)12-28-24(36)16-37-22-6-4-5-19(11-22)25-33-26(23-15-31-35(3)27(23)34-25)32-21-9-7-18(8-10-21)20-13-29-30-14-20/h4-11,13-15,17H,12,16H2,1-3H3,(H,28,36)(H,29,30)(H,32,33,34)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
KADMON CORPORATION, LLC US Patent					Assay Description Parasite cultures were seeded in 96-well plates (1% hematocrit, 1-2% starting parasitemia, 100 μL total volume) with varying concentrations of t...				US Patent US10729691 (2020) BindingDB Entry DOI: 10.7270/Q2417142
					More data for this Ligand-Target Pair
Solute carrier family 2, facilitated glucose transporter member 1 (Homo sapiens (Human))	BDBM453234 (2-(3-(4-((4-(1H-pyrazol-4-yl)phenyl)amino)pyrido[3...) Show SMILES CC(C)NC(=O)COc1cccc(c1)-c1nc(Nc2ccc(cc2)-c2cn[nH]c2)c2ccncc2n1 Show InChI InChI=1S/C27H25N7O2/c1-17(2)31-25(35)16-36-22-5-3-4-19(12-22)26-33-24-15-28-11-10-23(24)27(34-26)32-21-8-6-18(7-9-21)20-13-29-30-14-20/h3-15,17H,16H2,1-2H3,(H,29,30)(H,31,35)(H,32,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
KADMON CORPORATION, LLC US Patent					Assay Description HT1080 cells (as well as other cell types) were plated to confluency in 96-well plates. Cells were exposed to the combination of 10 μM Oligomyci...				US Patent US10729691 (2020) BindingDB Entry DOI: 10.7270/Q2417142
					More data for this Ligand-Target Pair
Solute carrier family 2, facilitated glucose transporter member 1 (Homo sapiens (Human))	BDBM453235 (2-(3-(4-((4-(1H-pyrazol-4-yl)phenyl)amino)pyrido[3...) Show SMILES O=C(COc1cccc(c1)-c1nc(Nc2ccc(cc2)-c2cn[nH]c2)c2ccncc2n1)NC1CCC1 Show InChI InChI=1S/C28H25N7O2/c36-26(32-21-4-2-5-21)17-37-23-6-1-3-19(13-23)27-34-25-16-29-12-11-24(25)28(35-27)33-22-9-7-18(8-10-22)20-14-30-31-15-20/h1,3,6-16,21H,2,4-5,17H2,(H,30,31)(H,32,36)(H,33,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
KADMON CORPORATION, LLC US Patent					Assay Description HT1080 cells (as well as other cell types) were plated to confluency in 96-well plates. Cells were exposed to the combination of 10 μM Oligomyci...				US Patent US10729691 (2020) BindingDB Entry DOI: 10.7270/Q2417142
					More data for this Ligand-Target Pair
Solute carrier family 2, facilitated glucose transporter member 1 (Homo sapiens (Human))	BDBM453236 (2-(3-(4-((4-(1H-pyrazol-4-yl)phenyl)amino)pyrido[3...) Show SMILES O=C(COc1cccc(c1)-c1nc(Nc2ccc(cc2)-c2cn[nH]c2)c2ccncc2n1)NC1CCCC1 Show InChI InChI=1S/C29H27N7O2/c37-27(33-22-5-1-2-6-22)18-38-24-7-3-4-20(14-24)28-35-26-17-30-13-12-25(26)29(36-28)34-23-10-8-19(9-11-23)21-15-31-32-16-21/h3-4,7-17,22H,1-2,5-6,18H2,(H,31,32)(H,33,37)(H,34,35,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
KADMON CORPORATION, LLC US Patent					Assay Description HT1080 cells (as well as other cell types) were plated to confluency in 96-well plates. Cells were exposed to the combination of 10 μM Oligomyci...				US Patent US10729691 (2020) BindingDB Entry DOI: 10.7270/Q2417142
					More data for this Ligand-Target Pair
Solute carrier family 2, facilitated glucose transporter member 1 (Homo sapiens (Human))	BDBM453241 (2-(3-(4-((4-(1H-pyrazol-4-yl)phenyl)amino)-5,7-dih...) Show SMILES CC(C)(C)NC(=O)COc1cccc(c1)-c1nc2COCc2c(Nc2ccc(cc2)-c2cn[nH]c2)n1 Show InChI InChI=1S/C27H28N6O3/c1-27(2,3)33-24(34)16-36-21-6-4-5-18(11-21)25-31-23-15-35-14-22(23)26(32-25)30-20-9-7-17(8-10-20)19-12-28-29-13-19/h4-13H,14-16H2,1-3H3,(H,28,29)(H,33,34)(H,30,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
KADMON CORPORATION, LLC US Patent					Assay Description HT1080 cells (as well as other cell types) were plated to confluency in 96-well plates. Cells were exposed to the combination of 10 μM Oligomyci...				US Patent US10729691 (2020) BindingDB Entry DOI: 10.7270/Q2417142
					More data for this Ligand-Target Pair
Solute carrier family 2, facilitated glucose transporter member 1 (Homo sapiens (Human))	BDBM453242 (2-(3-(4-((4-(1H-pyrazol-4-yl)phenyl)amino)-5,7-dih...) Show SMILES CCC(CC)NC(=O)COc1cccc(c1)-c1nc2COCc2c(Nc2ccc(cc2)-c2cn[nH]c2)n1 Show InChI InChI=1S/C28H30N6O3/c1-3-21(4-2)31-26(35)17-37-23-7-5-6-19(12-23)27-33-25-16-36-15-24(25)28(34-27)32-22-10-8-18(9-11-22)20-13-29-30-14-20/h5-14,21H,3-4,15-17H2,1-2H3,(H,29,30)(H,31,35)(H,32,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
KADMON CORPORATION, LLC US Patent					Assay Description HT1080 cells (as well as other cell types) were plated to confluency in 96-well plates. Cells were exposed to the combination of 10 μM Oligomyci...				US Patent US10729691 (2020) BindingDB Entry DOI: 10.7270/Q2417142
					More data for this Ligand-Target Pair
Putative sugar transporter (Plasmodium falciparum)	BDBM453242 (2-(3-(4-((4-(1H-pyrazol-4-yl)phenyl)amino)-5,7-dih...) Show SMILES CCC(CC)NC(=O)COc1cccc(c1)-c1nc2COCc2c(Nc2ccc(cc2)-c2cn[nH]c2)n1 Show InChI InChI=1S/C28H30N6O3/c1-3-21(4-2)31-26(35)17-37-23-7-5-6-19(12-23)27-33-25-16-36-15-24(25)28(34-27)32-22-10-8-18(9-11-22)20-13-29-30-14-20/h5-14,21H,3-4,15-17H2,1-2H3,(H,29,30)(H,31,35)(H,32,33,34)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
KADMON CORPORATION, LLC US Patent					Assay Description Parasite cultures were seeded in 96-well plates (1% hematocrit, 1-2% starting parasitemia, 100 μL total volume) with varying concentrations of t...				US Patent US10729691 (2020) BindingDB Entry DOI: 10.7270/Q2417142
					More data for this Ligand-Target Pair
Solute carrier family 2, facilitated glucose transporter member 1 (Homo sapiens (Human))	BDBM453243 (2-(3-(4-((4-(1H-pyrazol-4-yl)phenyl)amino)-5,7-dih...) Show SMILES CCC(C)NC(=O)COc1cccc(c1)-c1nc2COCc2c(Nc2ccc(cc2)-c2cn[nH]c2)n1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
KADMON CORPORATION, LLC US Patent					Assay Description HT1080 cells (as well as other cell types) were plated to confluency in 96-well plates. Cells were exposed to the combination of 10 μM Oligomyci...				US Patent US10729691 (2020) BindingDB Entry DOI: 10.7270/Q2417142
					More data for this Ligand-Target Pair
Putative sugar transporter (Plasmodium falciparum)	BDBM453243 (2-(3-(4-((4-(1H-pyrazol-4-yl)phenyl)amino)-5,7-dih...) Show SMILES CCC(C)NC(=O)COc1cccc(c1)-c1nc2COCc2c(Nc2ccc(cc2)-c2cn[nH]c2)n1 Show InChI	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
KADMON CORPORATION, LLC US Patent					Assay Description Parasite cultures were seeded in 96-well plates (1% hematocrit, 1-2% starting parasitemia, 100 μL total volume) with varying concentrations of t...				US Patent US10729691 (2020) BindingDB Entry DOI: 10.7270/Q2417142
					More data for this Ligand-Target Pair
Solute carrier family 2, facilitated glucose transporter member 1 (Homo sapiens (Human))	BDBM453244 (2-(3-(4-((4-(1H-pyrazol-4-yl)phenyl)amino)-5,7-dih...) Show SMILES CC(C)CNC(=O)COc1cccc(c1)-c1nc2COCc2c(Nc2ccc(cc2)-c2cn[nH]c2)n1 Show InChI InChI=1S/C27H28N6O3/c1-17(2)11-28-25(34)16-36-22-5-3-4-19(10-22)26-32-24-15-35-14-23(24)27(33-26)31-21-8-6-18(7-9-21)20-12-29-30-13-20/h3-10,12-13,17H,11,14-16H2,1-2H3,(H,28,34)(H,29,30)(H,31,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
KADMON CORPORATION, LLC US Patent					Assay Description HT1080 cells (as well as other cell types) were plated to confluency in 96-well plates. Cells were exposed to the combination of 10 μM Oligomyci...				US Patent US10729691 (2020) BindingDB Entry DOI: 10.7270/Q2417142
					More data for this Ligand-Target Pair
Solute carrier family 2, facilitated glucose transporter member 1 (Homo sapiens (Human))	BDBM453245 (2-(3-(4-((4-(1H-pyrazol-4-yl)phenyl)amino)-5,7-dih...) Show SMILES CC(C)(C)CNC(=O)COc1cccc(c1)-c1nc2COCc2c(Nc2ccc(cc2)-c2cn[nH]c2)n1 Show InChI InChI=1S/C28H30N6O3/c1-28(2,3)17-29-25(35)16-37-22-6-4-5-19(11-22)26-33-24-15-36-14-23(24)27(34-26)32-21-9-7-18(8-10-21)20-12-30-31-13-20/h4-13H,14-17H2,1-3H3,(H,29,35)(H,30,31)(H,32,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
KADMON CORPORATION, LLC US Patent					Assay Description HT1080 cells (as well as other cell types) were plated to confluency in 96-well plates. Cells were exposed to the combination of 10 μM Oligomyci...				US Patent US10729691 (2020) BindingDB Entry DOI: 10.7270/Q2417142
					More data for this Ligand-Target Pair
Solute carrier family 2, facilitated glucose transporter member 1 (Homo sapiens (Human))	BDBM453246 (2-(3-(4-((4-(1H-pyrazol-4-yl)phenyl)amino)-5,7-dih...) Show SMILES CCC(C)(C)NC(=O)COc1cccc(c1)-c1nc2COCc2c(Nc2ccc(cc2)-c2cn[nH]c2)n1 Show InChI InChI=1S/C28H30N6O3/c1-4-28(2,3)34-25(35)17-37-22-7-5-6-19(12-22)26-32-24-16-36-15-23(24)27(33-26)31-21-10-8-18(9-11-21)20-13-29-30-14-20/h5-14H,4,15-17H2,1-3H3,(H,29,30)(H,34,35)(H,31,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
KADMON CORPORATION, LLC US Patent					Assay Description HT1080 cells (as well as other cell types) were plated to confluency in 96-well plates. Cells were exposed to the combination of 10 μM Oligomyci...				US Patent US10729691 (2020) BindingDB Entry DOI: 10.7270/Q2417142
					More data for this Ligand-Target Pair
Putative sugar transporter (Plasmodium falciparum)	BDBM453253 (2-(3-(4-((4-(1H-pyrazol-4-yl)phenyl)amino)-6-methy...) Show SMILES CCC(CC)NC(=O)COc1cccc(c1)-c1nc2CCN(C)Cc2c(Nc2ccc(cc2)-c2cn[nH]c2)n1 Show InChI InChI=1S/C30H35N7O2/c1-4-23(5-2)33-28(38)19-39-25-8-6-7-21(15-25)29-35-27-13-14-37(3)18-26(27)30(36-29)34-24-11-9-20(10-12-24)22-16-31-32-17-22/h6-12,15-17,23H,4-5,13-14,18-19H2,1-3H3,(H,31,32)(H,33,38)(H,34,35,36)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
KADMON CORPORATION, LLC US Patent					Assay Description Parasite cultures were seeded in 96-well plates (1% hematocrit, 1-2% starting parasitemia, 100 μL total volume) with varying concentrations of t...				US Patent US10729691 (2020) BindingDB Entry DOI: 10.7270/Q2417142
					More data for this Ligand-Target Pair
Solute carrier family 2, facilitated glucose transporter member 1 (Homo sapiens (Human))	BDBM453255 (2-(3-(4-((4-(1H-pyrazol-4-yl)phenyl)amino)-7,8-dih...) Show SMILES CC(C)NC(=O)COc1cccc(c1)-c1nc2CCOCc2c(Nc2ccc(cc2)-c2cn[nH]c2)n1 Show InChI InChI=1S/C27H28N6O3/c1-17(2)30-25(34)16-36-22-5-3-4-19(12-22)26-32-24-10-11-35-15-23(24)27(33-26)31-21-8-6-18(7-9-21)20-13-28-29-14-20/h3-9,12-14,17H,10-11,15-16H2,1-2H3,(H,28,29)(H,30,34)(H,31,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
KADMON CORPORATION, LLC US Patent					Assay Description HT1080 cells (as well as other cell types) were plated to confluency in 96-well plates. Cells were exposed to the combination of 10 μM Oligomyci...				US Patent US10729691 (2020) BindingDB Entry DOI: 10.7270/Q2417142
					More data for this Ligand-Target Pair
Putative sugar transporter (Plasmodium falciparum)	BDBM453255 (2-(3-(4-((4-(1H-pyrazol-4-yl)phenyl)amino)-7,8-dih...) Show SMILES CC(C)NC(=O)COc1cccc(c1)-c1nc2CCOCc2c(Nc2ccc(cc2)-c2cn[nH]c2)n1 Show InChI InChI=1S/C27H28N6O3/c1-17(2)30-25(34)16-36-22-5-3-4-19(12-22)26-32-24-10-11-35-15-23(24)27(33-26)31-21-8-6-18(7-9-21)20-13-28-29-14-20/h3-9,12-14,17H,10-11,15-16H2,1-2H3,(H,28,29)(H,30,34)(H,31,32,33)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
KADMON CORPORATION, LLC US Patent					Assay Description Parasite cultures were seeded in 96-well plates (1% hematocrit, 1-2% starting parasitemia, 100 μL total volume) with varying concentrations of t...				US Patent US10729691 (2020) BindingDB Entry DOI: 10.7270/Q2417142
					More data for this Ligand-Target Pair
Solute carrier family 2, facilitated glucose transporter member 1 (Homo sapiens (Human))	BDBM453256 (2-(3-(4-((4-(1H-pyrazol-4-yl)phenyl)amino)-7,8-dih...) Show SMILES CCC(C)NC(=O)COc1cccc(c1)-c1nc2CCOCc2c(Nc2ccc(cc2)-c2cn[nH]c2)n1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
KADMON CORPORATION, LLC US Patent					Assay Description HT1080 cells (as well as other cell types) were plated to confluency in 96-well plates. Cells were exposed to the combination of 10 μM Oligomyci...				US Patent US10729691 (2020) BindingDB Entry DOI: 10.7270/Q2417142
					More data for this Ligand-Target Pair
Putative sugar transporter (Plasmodium falciparum)	BDBM453256 (2-(3-(4-((4-(1H-pyrazol-4-yl)phenyl)amino)-7,8-dih...) Show SMILES CCC(C)NC(=O)COc1cccc(c1)-c1nc2CCOCc2c(Nc2ccc(cc2)-c2cn[nH]c2)n1 Show InChI	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
KADMON CORPORATION, LLC US Patent					Assay Description Parasite cultures were seeded in 96-well plates (1% hematocrit, 1-2% starting parasitemia, 100 μL total volume) with varying concentrations of t...				US Patent US10729691 (2020) BindingDB Entry DOI: 10.7270/Q2417142
					More data for this Ligand-Target Pair
Putative sugar transporter (Plasmodium falciparum)	BDBM453258 (2-(3-(4-((4-(1H-pyrazol-4-yl)phenyl)amino)thieno[3...) Show SMILES CCC(C)(C)NC(=O)COc1cccc(c1)-c1nc(Nc2ccc(cc2)-c2cn[nH]c2)c2sccc2n1 Show InChI InChI=1S/C28H28N6O2S/c1-4-28(2,3)34-24(35)17-36-22-7-5-6-19(14-22)26-32-23-12-13-37-25(23)27(33-26)31-21-10-8-18(9-11-21)20-15-29-30-16-20/h5-16H,4,17H2,1-3H3,(H,29,30)(H,34,35)(H,31,32,33)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
KADMON CORPORATION, LLC US Patent					Assay Description Parasite cultures were seeded in 96-well plates (1% hematocrit, 1-2% starting parasitemia, 100 μL total volume) with varying concentrations of t...				US Patent US10729691 (2020) BindingDB Entry DOI: 10.7270/Q2417142
					More data for this Ligand-Target Pair
Putative sugar transporter (Plasmodium falciparum)	BDBM453259 (2-(3-(4-((4-(1H-pyrazol-4-yl)phenyl)amino)-6-acety...) Show SMILES CC(C)NC(=O)COc1cccc(c1)-c1nc2CCN(Cc2c(Nc2ccc(cc2)-c2cn[nH]c2)n1)C(C)=O Show InChI InChI=1S/C29H31N7O3/c1-18(2)32-27(38)17-39-24-6-4-5-21(13-24)28-34-26-11-12-36(19(3)37)16-25(26)29(35-28)33-23-9-7-20(8-10-23)22-14-30-31-15-22/h4-10,13-15,18H,11-12,16-17H2,1-3H3,(H,30,31)(H,32,38)(H,33,34,35)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
KADMON CORPORATION, LLC US Patent					Assay Description Parasite cultures were seeded in 96-well plates (1% hematocrit, 1-2% starting parasitemia, 100 μL total volume) with varying concentrations of t...				US Patent US10729691 (2020) BindingDB Entry DOI: 10.7270/Q2417142
					More data for this Ligand-Target Pair
Solute carrier family 2, facilitated glucose transporter member 1 (Homo sapiens (Human))	BDBM453260 (2-(3-(4-((4-(1H-pyrazol-4-yl)phenyl)amino)-6-acety...) Show SMILES CCC(CC)NC(=O)COc1cccc(c1)-c1nc2CCN(Cc2c(Nc2ccc(cc2)-c2cn[nH]c2)n1)C(C)=O Show InChI InChI=1S/C31H35N7O3/c1-4-24(5-2)34-29(40)19-41-26-8-6-7-22(15-26)30-36-28-13-14-38(20(3)39)18-27(28)31(37-30)35-25-11-9-21(10-12-25)23-16-32-33-17-23/h6-12,15-17,24H,4-5,13-14,18-19H2,1-3H3,(H,32,33)(H,34,40)(H,35,36,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
KADMON CORPORATION, LLC US Patent					Assay Description HT1080 cells (as well as other cell types) were plated to confluency in 96-well plates. Cells were exposed to the combination of 10 μM Oligomyci...				US Patent US10729691 (2020) BindingDB Entry DOI: 10.7270/Q2417142
					More data for this Ligand-Target Pair
Putative sugar transporter (Plasmodium falciparum)	BDBM453260 (2-(3-(4-((4-(1H-pyrazol-4-yl)phenyl)amino)-6-acety...) Show SMILES CCC(CC)NC(=O)COc1cccc(c1)-c1nc2CCN(Cc2c(Nc2ccc(cc2)-c2cn[nH]c2)n1)C(C)=O Show InChI InChI=1S/C31H35N7O3/c1-4-24(5-2)34-29(40)19-41-26-8-6-7-22(15-26)30-36-28-13-14-38(20(3)39)18-27(28)31(37-30)35-25-11-9-21(10-12-25)23-16-32-33-17-23/h6-12,15-17,24H,4-5,13-14,18-19H2,1-3H3,(H,32,33)(H,34,40)(H,35,36,37)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
KADMON CORPORATION, LLC US Patent					Assay Description Parasite cultures were seeded in 96-well plates (1% hematocrit, 1-2% starting parasitemia, 100 μL total volume) with varying concentrations of t...				US Patent US10729691 (2020) BindingDB Entry DOI: 10.7270/Q2417142
					More data for this Ligand-Target Pair
Solute carrier family 2, facilitated glucose transporter member 1 (Homo sapiens (Human))	BDBM453261 (2-(3-(4-((4-(1H-pyrazol-4-yl)phenyl)amino)-7,8-dih...) Show SMILES CC(C)CNC(=O)COc1cccc(c1)-c1nc2CCOCc2c(Nc2ccc(cc2)-c2cn[nH]c2)n1 Show InChI InChI=1S/C28H30N6O3/c1-18(2)13-29-26(35)17-37-23-5-3-4-20(12-23)27-33-25-10-11-36-16-24(25)28(34-27)32-22-8-6-19(7-9-22)21-14-30-31-15-21/h3-9,12,14-15,18H,10-11,13,16-17H2,1-2H3,(H,29,35)(H,30,31)(H,32,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
KADMON CORPORATION, LLC US Patent					Assay Description HT1080 cells (as well as other cell types) were plated to confluency in 96-well plates. Cells were exposed to the combination of 10 μM Oligomyci...				US Patent US10729691 (2020) BindingDB Entry DOI: 10.7270/Q2417142
					More data for this Ligand-Target Pair
Putative sugar transporter (Plasmodium falciparum)	BDBM453261 (2-(3-(4-((4-(1H-pyrazol-4-yl)phenyl)amino)-7,8-dih...) Show SMILES CC(C)CNC(=O)COc1cccc(c1)-c1nc2CCOCc2c(Nc2ccc(cc2)-c2cn[nH]c2)n1 Show InChI InChI=1S/C28H30N6O3/c1-18(2)13-29-26(35)17-37-23-5-3-4-20(12-23)27-33-25-10-11-36-16-24(25)28(34-27)32-22-8-6-19(7-9-22)21-14-30-31-15-21/h3-9,12,14-15,18H,10-11,13,16-17H2,1-2H3,(H,29,35)(H,30,31)(H,32,33,34)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
KADMON CORPORATION, LLC US Patent					Assay Description Parasite cultures were seeded in 96-well plates (1% hematocrit, 1-2% starting parasitemia, 100 μL total volume) with varying concentrations of t...				US Patent US10729691 (2020) BindingDB Entry DOI: 10.7270/Q2417142
					More data for this Ligand-Target Pair
Putative sugar transporter (Plasmodium falciparum)	BDBM453262 (2-(3-(4-((4-(1H-pyrazol-4-yl)phenyl)amino)-7,8-dih...) Show SMILES CC(C)(C)CNC(=O)COc1cccc(c1)-c1nc2CCOCc2c(Nc2ccc(cc2)-c2cn[nH]c2)n1 Show InChI InChI=1S/C29H32N6O3/c1-29(2,3)18-30-26(36)17-38-23-6-4-5-20(13-23)27-34-25-11-12-37-16-24(25)28(35-27)33-22-9-7-19(8-10-22)21-14-31-32-15-21/h4-10,13-15H,11-12,16-18H2,1-3H3,(H,30,36)(H,31,32)(H,33,34,35)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
KADMON CORPORATION, LLC US Patent					Assay Description Parasite cultures were seeded in 96-well plates (1% hematocrit, 1-2% starting parasitemia, 100 μL total volume) with varying concentrations of t...				US Patent US10729691 (2020) BindingDB Entry DOI: 10.7270/Q2417142
					More data for this Ligand-Target Pair
Solute carrier family 2, facilitated glucose transporter member 1 (Homo sapiens (Human))	BDBM453263 (2-(3-(4-((4-(1H-pyrazol-4-yl)phenyl)amino)-6-acety...) Show SMILES CC(=O)N1CCc2nc(nc(Nc3ccc(cc3)-c3cn[nH]c3)c2C1)-c1cccc(OCC(=O)NC(C)(C)C)c1 Show InChI InChI=1S/C30H33N7O3/c1-19(38)37-13-12-26-25(17-37)29(33-23-10-8-20(9-11-23)22-15-31-32-16-22)35-28(34-26)21-6-5-7-24(14-21)40-18-27(39)36-30(2,3)4/h5-11,14-16H,12-13,17-18H2,1-4H3,(H,31,32)(H,36,39)(H,33,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
KADMON CORPORATION, LLC US Patent					Assay Description HT1080 cells (as well as other cell types) were plated to confluency in 96-well plates. Cells were exposed to the combination of 10 μM Oligomyci...				US Patent US10729691 (2020) BindingDB Entry DOI: 10.7270/Q2417142
					More data for this Ligand-Target Pair
Putative sugar transporter (Plasmodium falciparum)	BDBM453263 (2-(3-(4-((4-(1H-pyrazol-4-yl)phenyl)amino)-6-acety...) Show SMILES CC(=O)N1CCc2nc(nc(Nc3ccc(cc3)-c3cn[nH]c3)c2C1)-c1cccc(OCC(=O)NC(C)(C)C)c1 Show InChI InChI=1S/C30H33N7O3/c1-19(38)37-13-12-26-25(17-37)29(33-23-10-8-20(9-11-23)22-15-31-32-16-22)35-28(34-26)21-6-5-7-24(14-21)40-18-27(39)36-30(2,3)4/h5-11,14-16H,12-13,17-18H2,1-4H3,(H,31,32)(H,36,39)(H,33,34,35)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
KADMON CORPORATION, LLC US Patent					Assay Description Parasite cultures were seeded in 96-well plates (1% hematocrit, 1-2% starting parasitemia, 100 μL total volume) with varying concentrations of t...				US Patent US10729691 (2020) BindingDB Entry DOI: 10.7270/Q2417142
					More data for this Ligand-Target Pair
Solute carrier family 2, facilitated glucose transporter member 1 (Homo sapiens (Human))	BDBM453264 (2-(3-(4-((4-(1H-pyrazol-4-yl)phenyl)amino)-7,8-dih...) Show SMILES CCC(CC)NC(=O)COc1cccc(c1)-c1nc2CCOCc2c(Nc2ccc(cc2)-c2cn[nH]c2)n1 Show InChI InChI=1S/C29H32N6O3/c1-3-22(4-2)32-27(36)18-38-24-7-5-6-20(14-24)28-34-26-12-13-37-17-25(26)29(35-28)33-23-10-8-19(9-11-23)21-15-30-31-16-21/h5-11,14-16,22H,3-4,12-13,17-18H2,1-2H3,(H,30,31)(H,32,36)(H,33,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
KADMON CORPORATION, LLC US Patent					Assay Description HT1080 cells (as well as other cell types) were plated to confluency in 96-well plates. Cells were exposed to the combination of 10 μM Oligomyci...				US Patent US10729691 (2020) BindingDB Entry DOI: 10.7270/Q2417142
					More data for this Ligand-Target Pair
Putative sugar transporter (Plasmodium falciparum)	BDBM453264 (2-(3-(4-((4-(1H-pyrazol-4-yl)phenyl)amino)-7,8-dih...) Show SMILES CCC(CC)NC(=O)COc1cccc(c1)-c1nc2CCOCc2c(Nc2ccc(cc2)-c2cn[nH]c2)n1 Show InChI InChI=1S/C29H32N6O3/c1-3-22(4-2)32-27(36)18-38-24-7-5-6-20(14-24)28-34-26-12-13-37-17-25(26)29(35-28)33-23-10-8-19(9-11-23)21-15-30-31-16-21/h5-11,14-16,22H,3-4,12-13,17-18H2,1-2H3,(H,30,31)(H,32,36)(H,33,34,35)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
KADMON CORPORATION, LLC US Patent					Assay Description Parasite cultures were seeded in 96-well plates (1% hematocrit, 1-2% starting parasitemia, 100 μL total volume) with varying concentrations of t...				US Patent US10729691 (2020) BindingDB Entry DOI: 10.7270/Q2417142
					More data for this Ligand-Target Pair
Solute carrier family 2, facilitated glucose transporter member 1 (Homo sapiens (Human))	BDBM453265 (2-(3-(4-((4-(1H-pyrazol-4-yl)phenyl)amino)-7,8-dih...) Show SMILES CC(C)(C)NC(=O)COc1cccc(c1)-c1nc2CCOCc2c(Nc2ccc(cc2)-c2cn[nH]c2)n1 Show InChI InChI=1S/C28H30N6O3/c1-28(2,3)34-25(35)17-37-22-6-4-5-19(13-22)26-32-24-11-12-36-16-23(24)27(33-26)31-21-9-7-18(8-10-21)20-14-29-30-15-20/h4-10,13-15H,11-12,16-17H2,1-3H3,(H,29,30)(H,34,35)(H,31,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
KADMON CORPORATION, LLC US Patent					Assay Description HT1080 cells (as well as other cell types) were plated to confluency in 96-well plates. Cells were exposed to the combination of 10 μM Oligomyci...				US Patent US10729691 (2020) BindingDB Entry DOI: 10.7270/Q2417142
					More data for this Ligand-Target Pair
Putative sugar transporter (Plasmodium falciparum)	BDBM453265 (2-(3-(4-((4-(1H-pyrazol-4-yl)phenyl)amino)-7,8-dih...) Show SMILES CC(C)(C)NC(=O)COc1cccc(c1)-c1nc2CCOCc2c(Nc2ccc(cc2)-c2cn[nH]c2)n1 Show InChI InChI=1S/C28H30N6O3/c1-28(2,3)34-25(35)17-37-22-6-4-5-19(13-22)26-32-24-11-12-36-16-23(24)27(33-26)31-21-9-7-18(8-10-21)20-14-29-30-15-20/h4-10,13-15H,11-12,16-17H2,1-3H3,(H,29,30)(H,34,35)(H,31,32,33)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
KADMON CORPORATION, LLC US Patent					Assay Description Parasite cultures were seeded in 96-well plates (1% hematocrit, 1-2% starting parasitemia, 100 μL total volume) with varying concentrations of t...				US Patent US10729691 (2020) BindingDB Entry DOI: 10.7270/Q2417142
					More data for this Ligand-Target Pair
Solute carrier family 2, facilitated glucose transporter member 1 (Homo sapiens (Human))	BDBM453267 (2-(3-(4-((4-(1H-pyrazol-4-yl)phenyl)amino)-7,8-dih...) Show SMILES O=C(COc1cccc(c1)-c1nc2CCOCc2c(Nc2ccc(cc2)-c2cn[nH]c2)n1)NC1CCC1 Show InChI InChI=1S/C28H28N6O3/c35-26(31-21-4-2-5-21)17-37-23-6-1-3-19(13-23)27-33-25-11-12-36-16-24(25)28(34-27)32-22-9-7-18(8-10-22)20-14-29-30-15-20/h1,3,6-10,13-15,21H,2,4-5,11-12,16-17H2,(H,29,30)(H,31,35)(H,32,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
KADMON CORPORATION, LLC US Patent					Assay Description HT1080 cells (as well as other cell types) were plated to confluency in 96-well plates. Cells were exposed to the combination of 10 μM Oligomyci...				US Patent US10729691 (2020) BindingDB Entry DOI: 10.7270/Q2417142
					More data for this Ligand-Target Pair
Solute carrier family 2, facilitated glucose transporter member 1 (Homo sapiens (Human))	BDBM453268 (2-(3-(4-((4-(1H-pyrazol-4-yl)phenyl)amino)pyrido[4...) Show SMILES CC(C)NC(=O)COc1cccc(c1)-c1nc(Nc2ccc(cc2)-c2cn[nH]c2)c2cnccc2n1 Show InChI InChI=1S/C27H25N7O2/c1-17(2)31-25(35)16-36-22-5-3-4-19(12-22)26-33-24-10-11-28-15-23(24)27(34-26)32-21-8-6-18(7-9-21)20-13-29-30-14-20/h3-15,17H,16H2,1-2H3,(H,29,30)(H,31,35)(H,32,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
KADMON CORPORATION, LLC US Patent					Assay Description HT1080 cells (as well as other cell types) were plated to confluency in 96-well plates. Cells were exposed to the combination of 10 μM Oligomyci...				US Patent US10729691 (2020) BindingDB Entry DOI: 10.7270/Q2417142
					More data for this Ligand-Target Pair
Solute carrier family 2, facilitated glucose transporter member 1 (Homo sapiens (Human))	BDBM453262 (2-(3-(4-((4-(1H-pyrazol-4-yl)phenyl)amino)-7,8-dih...) Show SMILES CC(C)(C)CNC(=O)COc1cccc(c1)-c1nc2CCOCc2c(Nc2ccc(cc2)-c2cn[nH]c2)n1 Show InChI InChI=1S/C29H32N6O3/c1-29(2,3)18-30-26(36)17-38-23-6-4-5-20(13-23)27-34-25-11-12-37-16-24(25)28(35-27)33-22-9-7-19(8-10-22)21-14-31-32-15-21/h4-10,13-15H,11-12,16-18H2,1-3H3,(H,30,36)(H,31,32)(H,33,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
KADMON CORPORATION, LLC US Patent					Assay Description HT1080 cells (as well as other cell types) were plated to confluency in 96-well plates. Cells were exposed to the combination of 10 μM Oligomyci...				US Patent US10729691 (2020) BindingDB Entry DOI: 10.7270/Q2417142
					More data for this Ligand-Target Pair
Putative sugar transporter (Plasmodium falciparum)	BDBM453270 (2-(3-(4-((4-(1H-pyrazol-4-yl)phenyl)amino)-6-acety...) Show SMILES CCC(CC)NC(=O)COc1cccc(c1)-c1nc2CN(Cc2c(Nc2ccc(cc2)-c2cn[nH]c2)n1)C(C)=O Show InChI InChI=1S/C30H33N7O3/c1-4-23(5-2)33-28(39)18-40-25-8-6-7-21(13-25)29-35-27-17-37(19(3)38)16-26(27)30(36-29)34-24-11-9-20(10-12-24)22-14-31-32-15-22/h6-15,23H,4-5,16-18H2,1-3H3,(H,31,32)(H,33,39)(H,34,35,36)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
KADMON CORPORATION, LLC US Patent					Assay Description Parasite cultures were seeded in 96-well plates (1% hematocrit, 1-2% starting parasitemia, 100 μL total volume) with varying concentrations of t...				US Patent US10729691 (2020) BindingDB Entry DOI: 10.7270/Q2417142
					More data for this Ligand-Target Pair

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