Compile Data Set for Download or QSAR

Found 110 hits with Last Name = 'cleveland' and Initial = 'jl'   

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
Monocarboxylate transporter 1 (Homo sapiens (Human))	BDBM22000 (7-[(3-hydroxypropyl)sulfanyl]-2-methyl-4-(2-methyl...) Show SMILES CC(C)Cc1nn(C)c(=O)c2c(SCCCO)n(Cc3cccc4ccccc34)cc12 Show InChI InChI=1S/C25H29N3O2S/c1-17(2)14-22-21-16-28(15-19-10-6-9-18-8-4-5-11-20(18)19)25(31-13-7-12-29)23(21)24(30)27(3)26-22/h4-6,8-11,16-17,29H,7,12-15H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	105	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of MCT1 (unknown origin) overexpressed in human MCF7 cells assessed as inhibition of transporter-mediated [14C]lactate transport after 10 ...				J Med Chem 57: 7317-24 (2014) Article DOI: 10.1021/jm500640x BindingDB Entry DOI: 10.7270/Q2F76F6D
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Homo sapiens (Human))	BDBM50055506 (CHEMBL3326270) Show SMILES CC(C)Cn1c2nc(Cc3cccc4ccccc34)c(\C=C/CCCO)nc2c(=O)n(C)c1=O Show InChI InChI=1S/C27H30N4O3/c1-18(2)17-31-25-24(26(33)30(3)27(31)34)28-22(14-5-4-8-15-32)23(29-25)16-20-12-9-11-19-10-6-7-13-21(19)20/h5-7,9-14,18,32H,4,8,15-17H2,1-3H3/b14-5-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	116	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of MCT1 (unknown origin) overexpressed in human MCF7 cells assessed as inhibition of transporter-mediated [14C]lactate transport after 10 ...				J Med Chem 57: 7317-24 (2014) Article DOI: 10.1021/jm500640x BindingDB Entry DOI: 10.7270/Q2F76F6D
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Homo sapiens (Human))	BDBM50055505 (CHEMBL3326265) Show SMILES CC(C)Cn1c2nc(Cc3cccc4ccccc34)c(CCCCCO)nc2c(=O)n(C)c1=O Show InChI InChI=1S/C27H32N4O3/c1-18(2)17-31-25-24(26(33)30(3)27(31)34)28-22(14-5-4-8-15-32)23(29-25)16-20-12-9-11-19-10-6-7-13-21(19)20/h6-7,9-13,18,32H,4-5,8,14-17H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	192	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of MCT1 (unknown origin) overexpressed in human MCF7 cells assessed as inhibition of transporter-mediated [14C]lactate transport after 10 ...				J Med Chem 57: 7317-24 (2014) Article DOI: 10.1021/jm500640x BindingDB Entry DOI: 10.7270/Q2F76F6D
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Homo sapiens (Human))	BDBM50055500 (CHEMBL3326256) Show SMILES CC(C)Cn1c2nc(Cc3cccc4ccccc34)c(=O)n(CCCCO)c2c(=O)n(C)c1=O Show InChI InChI=1S/C26H30N4O4/c1-17(2)16-30-23-22(25(33)28(3)26(30)34)29(13-6-7-14-31)24(32)21(27-23)15-19-11-8-10-18-9-4-5-12-20(18)19/h4-5,8-12,17,31H,6-7,13-16H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	548	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of MCT1 (unknown origin) overexpressed in human MCF7 cells assessed as inhibition of transporter-mediated [14C]lactate transport after 10 ...				J Med Chem 57: 7317-24 (2014) Article DOI: 10.1021/jm500640x BindingDB Entry DOI: 10.7270/Q2F76F6D
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Homo sapiens (Human))	BDBM50055503 (CHEMBL3326259) Show SMILES CC(C)Cn1c2nc(Cc3cccc4ccccc34)c(SCCCCO)nc2c(=O)n(C)c1=O Show InChI InChI=1S/C26H30N4O3S/c1-17(2)16-30-23-22(25(32)29(3)26(30)33)28-24(34-14-7-6-13-31)21(27-23)15-19-11-8-10-18-9-4-5-12-20(18)19/h4-5,8-12,17,31H,6-7,13-16H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	669	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of MCT1 (unknown origin) overexpressed in human MCF7 cells assessed as inhibition of transporter-mediated [14C]lactate transport after 10 ...				J Med Chem 57: 7317-24 (2014) Article DOI: 10.1021/jm500640x BindingDB Entry DOI: 10.7270/Q2F76F6D
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Homo sapiens (Human))	BDBM50055502 (CHEMBL3326252) Show SMILES CC(C)Cn1c2nc(Cc3cccc4ccccc34)c(SCCCO)nc2c(=O)n(C)c1=O Show InChI InChI=1S/C25H28N4O3S/c1-16(2)15-29-22-21(24(31)28(3)25(29)32)27-23(33-13-7-12-30)20(26-22)14-18-10-6-9-17-8-4-5-11-19(17)18/h4-6,8-11,16,30H,7,12-15H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	858	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of MCT1 (unknown origin) overexpressed in human MCF7 cells assessed as inhibition of transporter-mediated [14C]lactate transport after 10 ...				J Med Chem 57: 7317-24 (2014) Article DOI: 10.1021/jm500640x BindingDB Entry DOI: 10.7270/Q2F76F6D
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Homo sapiens (Human))	BDBM50055501 (CHEMBL3326257) Show SMILES CCCn1c2c(nc(Cc3cccc4ccccc34)c1=O)n(CC(C)C)c(=O)n(C)c2=O Show InChI InChI=1S/C25H28N4O3/c1-5-13-28-21-22(29(15-16(2)3)25(32)27(4)24(21)31)26-20(23(28)30)14-18-11-8-10-17-9-6-7-12-19(17)18/h6-12,16H,5,13-15H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of MCT1 (unknown origin) overexpressed in human MCF7 cells assessed as inhibition of transporter-mediated [14C]lactate transport after 10 ...				J Med Chem 57: 7317-24 (2014) Article DOI: 10.1021/jm500640x BindingDB Entry DOI: 10.7270/Q2F76F6D
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Homo sapiens (Human))	BDBM50055504 (CHEMBL3326264) Show SMILES CC(C)Cn1c2nc(Cc3cccc4ccccc34)c(CCCCO)nc2c(=O)n(C)c1=O Show InChI InChI=1S/C26H30N4O3/c1-17(2)16-30-24-23(25(32)29(3)26(30)33)27-21(13-6-7-14-31)22(28-24)15-19-11-8-10-18-9-4-5-12-20(18)19/h4-5,8-12,17,31H,6-7,13-16H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of MCT1 (unknown origin) overexpressed in human MCF7 cells assessed as inhibition of transporter-mediated [14C]lactate transport after 10 ...				J Med Chem 57: 7317-24 (2014) Article DOI: 10.1021/jm500640x BindingDB Entry DOI: 10.7270/Q2F76F6D
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Homo sapiens (Human))	BDBM50180637 (CHEMBL3818005) Show SMILES CC(C)Cc1nn(C)c(=O)c2c(SCCCO)n(Cc3ccnc(Cl)c3)cc12 Show InChI InChI=1S/C20H25ClN4O2S/c1-13(2)9-16-15-12-25(11-14-5-6-22-17(21)10-14)20(28-8-4-7-26)18(15)19(27)24(3)23-16/h5-6,10,12-13,26H,4,7-9,11H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of MCT1 in human Raji cells assessed as inhibition of cell proliferation after 96 hrs by MTT assay				Medchemcomm 7: 900-905 (2016) BindingDB Entry DOI: 10.7270/Q2GB260N
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Homo sapiens (Human))	BDBM50180638 (CHEMBL3818980) Show SMILES CC(C)Cc1nn(C)c(=O)c2c(SCCCO)n(Cc3cnc(Cl)c4ccccc34)cc12 Show InChI InChI=1S/C24H27ClN4O2S/c1-15(2)11-20-19-14-29(13-16-12-26-22(25)18-8-5-4-7-17(16)18)24(32-10-6-9-30)21(19)23(31)28(3)27-20/h4-5,7-8,12,14-15,30H,6,9-11,13H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	55	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of MCT1 in human Raji cells assessed as inhibition of cell proliferation after 96 hrs by MTT assay				Medchemcomm 7: 900-905 (2016) BindingDB Entry DOI: 10.7270/Q2GB260N
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Homo sapiens (Human))	BDBM50180639 (CHEMBL3818923) Show SMILES CC(C)Cc1nn(C)c(=O)c2c(SCCCO)n(Cc3cc(Cl)nc4ccccc34)cc12 Show InChI InChI=1S/C24H27ClN4O2S/c1-15(2)11-20-18-14-29(13-16-12-21(25)26-19-8-5-4-7-17(16)19)24(32-10-6-9-30)22(18)23(31)28(3)27-20/h4-5,7-8,12,14-15,30H,6,9-11,13H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	60	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of MCT1 in human Raji cells assessed as inhibition of cell proliferation after 96 hrs by MTT assay				Medchemcomm 7: 900-905 (2016) BindingDB Entry DOI: 10.7270/Q2GB260N
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Homo sapiens (Human))	BDBM50180640 (CHEMBL3819278) Show SMILES CC(C)Cc1nn(C)c(=O)c2c(SCCCO)n(Cc3ccnc(NCCCCCN)c3)cc12 Show InChI InChI=1S/C25H38N6O2S/c1-18(2)14-21-20-17-31(25(34-13-7-12-32)23(20)24(33)30(3)29-21)16-19-8-11-28-22(15-19)27-10-6-4-5-9-26/h8,11,15,17-18,32H,4-7,9-10,12-14,16,26H2,1-3H3,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	520	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of MCT1 in human Raji cells assessed as inhibition of cell proliferation after 96 hrs by MTT assay				Medchemcomm 7: 900-905 (2016) BindingDB Entry DOI: 10.7270/Q2GB260N
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Homo sapiens (Human))	BDBM50180641 (CHEMBL3818095) Show SMILES CC(C)Cc1nn(C)c(=O)c2c(SCCCO)n(Cc3cc(NCCCCCN)nc4ccccc34)cc12 Show InChI InChI=1S/C29H40N6O2S/c1-20(2)16-25-23-19-35(29(38-15-9-14-36)27(23)28(37)34(3)33-25)18-21-17-26(31-13-8-4-7-12-30)32-24-11-6-5-10-22(21)24/h5-6,10-11,17,19-20,36H,4,7-9,12-16,18,30H2,1-3H3,(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	24	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of MCT1 in human Raji cells assessed as inhibition of cell proliferation after 96 hrs by MTT assay				Medchemcomm 7: 900-905 (2016) BindingDB Entry DOI: 10.7270/Q2GB260N
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Homo sapiens (Human))	BDBM50180642 (CHEMBL3818476) Show SMILES CC(C)Cc1nn(C)c(=O)c2c(SCCCO)n(Cc3ccc(NCCCCCN)nc3)cc12 Show InChI InChI=1S/C25H38N6O2S/c1-18(2)14-21-20-17-31(25(34-13-7-12-32)23(20)24(33)30(3)29-21)16-19-8-9-22(28-15-19)27-11-6-4-5-10-26/h8-9,15,17-18,32H,4-7,10-14,16,26H2,1-3H3,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	420	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of MCT1 in human Raji cells assessed as inhibition of cell proliferation after 96 hrs by MTT assay				Medchemcomm 7: 900-905 (2016) BindingDB Entry DOI: 10.7270/Q2GB260N
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Homo sapiens (Human))	BDBM50180643 (CHEMBL3818311) Show SMILES CC(C)Cc1nn(C)c(=O)c2c(SCCCO)n(Cc3cnc(NCCCCCN)c4ccccc34)cc12 Show InChI InChI=1S/C29H40N6O2S/c1-20(2)16-25-24-19-35(29(38-15-9-14-36)26(24)28(37)34(3)33-25)18-21-17-32-27(31-13-8-4-7-12-30)23-11-6-5-10-22(21)23/h5-6,10-11,17,19-20,36H,4,7-9,12-16,18,30H2,1-3H3,(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	0.800	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of MCT1 in human Raji cells assessed as inhibition of cell proliferation after 96 hrs by MTT assay				Medchemcomm 7: 900-905 (2016) BindingDB Entry DOI: 10.7270/Q2GB260N
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Homo sapiens (Human))	BDBM50180644 (CHEMBL3818991) Show SMILES CC(C)Cc1nn(C)c(=O)c2c(SCCCO)n(Cc3ccnc(NCCCCCNC(=O)[C@@H](N)CCC(N)=O)c3)cc12 |r| Show InChI InChI=1S/C30H46N8O4S/c1-20(2)16-24-22-19-38(30(43-15-7-14-39)27(22)29(42)37(3)36-24)18-21-10-13-34-26(17-21)33-11-5-4-6-12-35-28(41)23(31)8-9-25(32)40/h10,13,17,19-20,23,39H,4-9,11-12,14-16,18,31H2,1-3H3,(H2,32,40)(H,33,34)(H,35,41)/t23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	500	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of MCT1 in human Raji cells assessed as inhibition of cell proliferation after 96 hrs by MTT assay				Medchemcomm 7: 900-905 (2016) BindingDB Entry DOI: 10.7270/Q2GB260N
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Homo sapiens (Human))	BDBM50180645 (CHEMBL3817951) Show SMILES CC(C)Cc1nn(C)c(=O)c2c(SCCCO)n(Cc3cc(NCCCCCNC(=O)[C@@H](N)CCC(N)=O)nc4ccccc34)cc12 |r| Show InChI InChI=1S/C34H48N8O4S/c1-22(2)18-28-25-21-42(34(47-17-9-16-43)31(25)33(46)41(3)40-28)20-23-19-30(39-27-11-6-5-10-24(23)27)37-14-7-4-8-15-38-32(45)26(35)12-13-29(36)44/h5-6,10-11,19,21-22,26,43H,4,7-9,12-18,20,35H2,1-3H3,(H2,36,44)(H,37,39)(H,38,45)/t26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	0.800	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of MCT1 in human Raji cells assessed as inhibition of cell proliferation after 96 hrs by MTT assay				Medchemcomm 7: 900-905 (2016) BindingDB Entry DOI: 10.7270/Q2GB260N
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Homo sapiens (Human))	BDBM50180646 (CHEMBL3819279) Show SMILES CC(C)Cc1nn(C)c(=O)c2c(SCCCO)n(Cc3ccc(NCCCCCNC(=O)[C@@H](N)CCC(N)=O)nc3)cc12 |r| Show InChI InChI=1S/C30H46N8O4S/c1-20(2)16-24-22-19-38(30(43-15-7-14-39)27(22)29(42)37(3)36-24)18-21-8-11-26(35-17-21)33-12-5-4-6-13-34-28(41)23(31)9-10-25(32)40/h8,11,17,19-20,23,39H,4-7,9-10,12-16,18,31H2,1-3H3,(H2,32,40)(H,33,35)(H,34,41)/t23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of MCT1 in human Raji cells assessed as inhibition of cell proliferation after 96 hrs by MTT assay				Medchemcomm 7: 900-905 (2016) BindingDB Entry DOI: 10.7270/Q2GB260N
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Homo sapiens (Human))	BDBM50180647 (CHEMBL3818777) Show SMILES CC(C)Cc1nn(C)c(=O)c2c(SCCCO)n(Cc3cnc(NCCCCCNC(=O)[C@@H](N)CCC(N)=O)c4ccccc34)cc12 |r| Show InChI InChI=1S/C34H48N8O4S/c1-22(2)18-28-26-21-42(34(47-17-9-16-43)30(26)33(46)41(3)40-28)20-23-19-39-31(25-11-6-5-10-24(23)25)37-14-7-4-8-15-38-32(45)27(35)12-13-29(36)44/h5-6,10-11,19,21-22,27,43H,4,7-9,12-18,20,35H2,1-3H3,(H2,36,44)(H,37,39)(H,38,45)/t27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	0.160	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of MCT1 in human Raji cells assessed as inhibition of cell proliferation after 96 hrs by MTT assay				Medchemcomm 7: 900-905 (2016) BindingDB Entry DOI: 10.7270/Q2GB260N
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Homo sapiens (Human))	BDBM50180648 (CHEMBL3818150) Show SMILES CC(C)Cc1nn(C)c(=O)c2c(SCCCO)n(Cc3ccc(C#CCCCOc4ccc(C[C@H](N)C(O)=O)cc4)c4ccccc34)cc12 |r| Show InChI InChI=1S/C39H44N4O5S/c1-26(2)22-35-33-25-43(38(49-21-9-19-44)36(33)37(45)42(3)41-35)24-29-16-15-28(31-11-6-7-12-32(29)31)10-5-4-8-20-48-30-17-13-27(14-18-30)23-34(40)39(46)47/h6-7,11-18,25-26,34,44H,4,8-9,19-24,40H2,1-3H3,(H,46,47)/t34-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	0.800	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of MCT1 in human Raji cells assessed as inhibition of cell proliferation after 96 hrs by MTT assay				Medchemcomm 7: 900-905 (2016) BindingDB Entry DOI: 10.7270/Q2GB260N
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Homo sapiens (Human))	BDBM50180649 (CHEMBL3818851) Show SMILES CC(C)Cc1nn(C)c(=O)c2c(SCCCO)n(Cc3ccc(C#CCCCNC(=O)[C@@H](N)CCC(N)=O)c4ccccc34)cc12 |r| Show InChI InChI=1S/C35H44N6O4S/c1-23(2)20-30-28-22-41(35(46-19-9-18-42)32(28)34(45)40(3)39-30)21-25-14-13-24(26-11-6-7-12-27(25)26)10-5-4-8-17-38-33(44)29(36)15-16-31(37)43/h6-7,11-14,22-23,29,42H,4,8-9,15-21,36H2,1-3H3,(H2,37,43)(H,38,44)/t29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	4	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of MCT1 in human Raji cells assessed as inhibition of cell proliferation after 96 hrs by MTT assay				Medchemcomm 7: 900-905 (2016) BindingDB Entry DOI: 10.7270/Q2GB260N
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Homo sapiens (Human))	BDBM50180650 (CHEMBL3817902) Show SMILES CC(C)Cc1nn(C)c(=O)c2c(SCCCO)n(Cc3ccc(Br)c4ccccc34)cc12 Show InChI InChI=1S/C25H28BrN3O2S/c1-16(2)13-22-20-15-29(14-17-9-10-21(26)19-8-5-4-7-18(17)19)25(32-12-6-11-30)23(20)24(31)28(3)27-22/h4-5,7-10,15-16,30H,6,11-14H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	11	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of MCT1 in human Raji cells assessed as inhibition of cell proliferation after 96 hrs by MTT assay				Medchemcomm 7: 900-905 (2016) BindingDB Entry DOI: 10.7270/Q2GB260N
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Homo sapiens (Human))	BDBM22000 (7-[(3-hydroxypropyl)sulfanyl]-2-methyl-4-(2-methyl...) Show SMILES CC(C)Cc1nn(C)c(=O)c2c(SCCCO)n(Cc3cccc4ccccc34)cc12 Show InChI InChI=1S/C25H29N3O2S/c1-17(2)14-22-21-16-28(15-19-10-6-9-18-8-4-5-11-20(18)19)25(31-13-7-12-29)23(21)24(30)27(3)26-22/h4-6,8-11,16-17,29H,7,12-15H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	5	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of MCT1 in human Raji cells assessed as inhibition of cell proliferation after 96 hrs by MTT assay				Medchemcomm 7: 900-905 (2016) BindingDB Entry DOI: 10.7270/Q2GB260N
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Homo sapiens (Human))	BDBM50180651 (CHEMBL3819158) Show SMILES CC(C)Cc1nn(C)c(=O)c2c(SCCCO)n(Cc3ccc(Cl)nc3)cc12 Show InChI InChI=1S/C20H25ClN4O2S/c1-13(2)9-16-15-12-25(11-14-5-6-17(21)22-10-14)20(28-8-4-7-26)18(15)19(27)24(3)23-16/h5-6,10,12-13,26H,4,7-9,11H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	690	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of MCT1 in human Raji cells assessed as inhibition of cell proliferation after 96 hrs by MTT assay				Medchemcomm 7: 900-905 (2016) BindingDB Entry DOI: 10.7270/Q2GB260N
					More data for this Ligand-Target Pair
Malignant T-cell-amplified sequence 1 (Homo sapiens (human))	BDBM402876 (US10329303, Example 1) Show SMILES CC(C)Cn1c2sc(Cc3c(C)n[nH]c3C)c(-c3cccc(CO)c3F)c2c(=O)n(C)c1=O |(-4.16,-5.55,;-4.16,-4.01,;-5.5,-3.24,;-2.83,-3.24,;-2.83,-1.7,;-1.49,-.93,;-.03,-1.41,;.88,-.16,;2.42,-.16,;3.19,-1.49,;2.71,-2.96,;1.38,-3.73,;3.96,-3.86,;5.2,-2.96,;4.73,-1.49,;5.5,-.16,;-.03,1.09,;.37,2.57,;-.72,3.66,;-.32,5.15,;1.17,5.55,;2.25,4.46,;3.74,4.86,;4.83,3.77,;1.86,2.97,;2.95,1.88,;-1.49,.61,;-2.83,1.38,;-2.83,2.92,;-4.16,.61,;-5.5,1.38,;-4.16,-.93,;-5.5,-1.7,)| Show InChI InChI=1S/C24H27FN4O3S/c1-12(2)10-29-23-20(22(31)28(5)24(29)32)19(16-8-6-7-15(11-30)21(16)25)18(33-23)9-17-13(3)26-27-14(17)4/h6-8,12,30H,9-11H2,1-5H3,(H,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<20	n/a	n/a	n/a	n/a
Virginia Commonwealth University					Assay Description pecific Examples 1-52 of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt...				Bioorg Med Chem 17: 6496-504 (2009) BindingDB Entry DOI: 10.7270/Q2B27XM9
					More data for this Ligand-Target Pair
Malignant T-cell-amplified sequence 1 (Homo sapiens (human))	BDBM402882 (US10329303, Example 2) Show SMILES CC(C)Cn1c2sc(Cc3c(C)n[nH]c3C)c(-c3cc(C)cc(CO)c3F)c2c(=O)n(C)c1=O |(-4.16,-5.89,;-4.16,-4.35,;-5.5,-3.58,;-2.83,-3.58,;-2.83,-2.04,;-1.49,-1.27,;-.03,-1.75,;.88,-.5,;2.42,-.5,;3.19,-1.84,;2.71,-3.3,;1.38,-4.07,;3.96,-4.21,;5.2,-3.3,;4.73,-1.84,;5.5,-.5,;-.03,.74,;.37,2.23,;-.72,3.32,;-.32,4.81,;-1.41,5.89,;1.17,5.2,;2.25,4.12,;3.74,4.51,;4.83,3.42,;1.86,2.63,;2.95,1.54,;-1.49,.27,;-2.83,1.04,;-2.83,2.58,;-4.16,.27,;-5.5,1.04,;-4.16,-1.27,;-5.5,-2.04,)| Show InChI InChI=1S/C25H29FN4O3S/c1-12(2)10-30-24-21(23(32)29(6)25(30)33)20(18-8-13(3)7-16(11-31)22(18)26)19(34-24)9-17-14(4)27-28-15(17)5/h7-8,12,31H,9-11H2,1-6H3,(H,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a
Virginia Commonwealth University					Assay Description pecific Examples 1-52 of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt...				Bioorg Med Chem 17: 6496-504 (2009) BindingDB Entry DOI: 10.7270/Q2B27XM9
					More data for this Ligand-Target Pair
Malignant T-cell-amplified sequence 1 (Homo sapiens (human))	BDBM402974 (US10329303, Example 3) Show SMILES CC(C)Cn1c2sc(Cc3c(C)n[nH]c3C)c(-c3c(F)cc(F)c(CO)c3F)c2c(=O)n(C)c1=O |(-4.16,-6.29,;-4.16,-4.75,;-5.5,-3.98,;-2.83,-3.98,;-2.83,-2.44,;-1.49,-1.67,;-.03,-2.15,;.88,-.9,;2.42,-.9,;3.19,-2.24,;2.71,-3.7,;1.38,-4.47,;3.96,-4.61,;5.2,-3.7,;4.73,-2.24,;5.5,-.9,;-.03,.34,;.37,1.83,;-.72,2.92,;-2.21,3.32,;-.32,4.41,;1.17,4.81,;1.56,6.29,;2.25,3.72,;3.74,4.12,;4.83,3.03,;1.86,2.23,;2.95,1.14,;-1.49,-.13,;-2.83,.64,;-2.83,2.18,;-4.16,-.13,;-5.5,.64,;-4.16,-1.67,;-5.5,-2.44,)| Show InChI InChI=1S/C24H25F3N4O3S/c1-10(2)8-31-23-20(22(33)30(5)24(31)34)19(17(35-23)6-13-11(3)28-29-12(13)4)18-16(26)7-15(25)14(9-32)21(18)27/h7,10,32H,6,8-9H2,1-5H3,(H,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a
Virginia Commonwealth University					Assay Description pecific Examples 1-52 of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt...				Bioorg Med Chem 17: 6496-504 (2009) BindingDB Entry DOI: 10.7270/Q2B27XM9
					More data for this Ligand-Target Pair
Malignant T-cell-amplified sequence 1 (Homo sapiens (human))	BDBM402975 (US10329303, Example 4) Show SMILES CC(C)Cn1c2sc(Cc3c(C)n[nH]c3C)c(-c3cnc(F)c(CO)c3)c2c(=O)n(C)c1=O Show InChI InChI=1S/C23H26FN5O3S/c1-11(2)9-29-22-19(21(31)28(5)23(29)32)18(14-6-15(10-30)20(24)25-8-14)17(33-22)7-16-12(3)26-27-13(16)4/h6,8,11,30H,7,9-10H2,1-5H3,(H,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	200	n/a	n/a	n/a	n/a
Virginia Commonwealth University					Assay Description pecific Examples 1-52 of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt...				Bioorg Med Chem 17: 6496-504 (2009) BindingDB Entry DOI: 10.7270/Q2B27XM9
					More data for this Ligand-Target Pair
Malignant T-cell-amplified sequence 1 (Homo sapiens (human))	BDBM403025 (US10329303, Example 5) Show SMILES CC(C)Cn1c2sc(Cc3c(C)n[nH]c3C)c(-c3cc(F)c(F)c(CO)c3)c2c(=O)n(C)c1=O Show InChI InChI=1S/C24H26F2N4O3S/c1-11(2)9-30-23-20(22(32)29(5)24(30)33)19(14-6-15(10-31)21(26)17(25)7-14)18(34-23)8-16-12(3)27-28-13(16)4/h6-7,11,31H,8-10H2,1-5H3,(H,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	160	n/a	n/a	n/a	n/a
Virginia Commonwealth University					Assay Description pecific Examples 1-52 of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt...				Bioorg Med Chem 17: 6496-504 (2009) BindingDB Entry DOI: 10.7270/Q2B27XM9
					More data for this Ligand-Target Pair
Malignant T-cell-amplified sequence 1 (Homo sapiens (human))	BDBM403040 (US10329303, Example 6) Show SMILES CC(C)Cn1c2sc(Cc3c(C)n[nH]c3C)c(-c3cc(CO)c(F)cc3F)c2c(=O)n(C)c1=O |(-4.16,-6.29,;-4.16,-4.75,;-5.5,-3.98,;-2.83,-3.98,;-2.83,-2.44,;-1.49,-1.67,;-.03,-2.15,;.88,-.9,;2.42,-.9,;3.19,-2.24,;2.71,-3.7,;1.38,-4.47,;3.96,-4.61,;5.2,-3.7,;4.73,-2.24,;5.5,-.9,;-.03,.34,;.37,1.83,;1.86,2.23,;2.25,3.72,;3.74,4.12,;4.83,3.03,;1.17,4.81,;1.56,6.29,;-.32,4.41,;-.72,2.92,;-2.21,3.32,;-1.49,-.13,;-2.83,.64,;-2.83,2.18,;-4.16,-.13,;-5.5,.64,;-4.16,-1.67,;-5.5,-2.44,)| Show InChI InChI=1S/C24H26F2N4O3S/c1-11(2)9-30-23-21(22(32)29(5)24(30)33)20(16-6-14(10-31)17(25)8-18(16)26)19(34-23)7-15-12(3)27-28-13(15)4/h6,8,11,31H,7,9-10H2,1-5H3,(H,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<20	n/a	n/a	n/a	n/a
Virginia Commonwealth University					Assay Description pecific Examples 1-52 of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt...				Bioorg Med Chem 17: 6496-504 (2009) BindingDB Entry DOI: 10.7270/Q2B27XM9
					More data for this Ligand-Target Pair
Malignant T-cell-amplified sequence 1 (Homo sapiens (human))	BDBM403041 (US10329303, Example 7) Show SMILES CC(C)Cn1c2sc(Cc3c(C)n[nH]c3C)c(-c3ccc(F)c(CO)c3F)c2c(=O)n(C)c1=O |(-4.16,-6.29,;-4.16,-4.75,;-5.5,-3.98,;-2.83,-3.98,;-2.83,-2.44,;-1.49,-1.67,;-.03,-2.15,;.88,-.9,;2.42,-.9,;3.19,-2.24,;2.71,-3.7,;1.38,-4.47,;3.96,-4.61,;5.2,-3.7,;4.73,-2.24,;5.5,-.9,;-.03,.34,;.37,1.83,;-.72,2.92,;-.32,4.41,;1.17,4.81,;1.56,6.29,;2.25,3.72,;3.74,4.12,;4.83,3.03,;1.86,2.23,;2.95,1.14,;-1.49,-.13,;-2.83,.64,;-2.83,2.18,;-4.16,-.13,;-5.5,.64,;-4.16,-1.67,;-5.5,-2.44,)| Show InChI InChI=1S/C24H26F2N4O3S/c1-11(2)9-30-23-20(22(32)29(5)24(30)33)19(14-6-7-17(25)16(10-31)21(14)26)18(34-23)8-15-12(3)27-28-13(15)4/h6-7,11,31H,8-10H2,1-5H3,(H,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<20	n/a	n/a	n/a	n/a
Virginia Commonwealth University					Assay Description pecific Examples 1-52 of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt...				Bioorg Med Chem 17: 6496-504 (2009) BindingDB Entry DOI: 10.7270/Q2B27XM9
					More data for this Ligand-Target Pair
Malignant T-cell-amplified sequence 1 (Homo sapiens (human))	BDBM403059 (US10329303, Example 8) Show SMILES CC(C)Cn1c2sc(Cc3c(C)n[nH]c3C)c(-c3cncc(c3)C(O)C(F)(F)F)c2c(=O)n(C)c1=O Show InChI InChI=1S/C24H26F3N5O3S/c1-11(2)10-32-22-19(21(34)31(5)23(32)35)18(17(36-22)7-16-12(3)29-30-13(16)4)14-6-15(9-28-8-14)20(33)24(25,26)27/h6,8-9,11,20,33H,7,10H2,1-5H3,(H,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	34	n/a	n/a	n/a	n/a
Virginia Commonwealth University					Assay Description pecific Examples 1-52 of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt...				Bioorg Med Chem 17: 6496-504 (2009) BindingDB Entry DOI: 10.7270/Q2B27XM9
					More data for this Ligand-Target Pair
Malignant T-cell-amplified sequence 1 (Homo sapiens (human))	BDBM403093 (US10329303, Example 9) Show SMILES CC(C)Cn1c2sc(Cc3c(C)n[nH]c3C)c(-c3ccc(F)c(CO)c3)c2c(=O)n(C)c1=O Show InChI InChI=1S/C24H27FN4O3S/c1-12(2)10-29-23-21(22(31)28(5)24(29)32)20(15-6-7-18(25)16(8-15)11-30)19(33-23)9-17-13(3)26-27-14(17)4/h6-8,12,30H,9-11H2,1-5H3,(H,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<20	n/a	n/a	n/a	n/a
Virginia Commonwealth University					Assay Description pecific Examples 1-52 of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt...				Bioorg Med Chem 17: 6496-504 (2009) BindingDB Entry DOI: 10.7270/Q2B27XM9
					More data for this Ligand-Target Pair
Malignant T-cell-amplified sequence 1 (Homo sapiens (human))	BDBM403094 (US10329303, Example 10) Show SMILES CC(C)Cn1c2sc(Cc3c(C)n[nH]c3C)c(-c3ccnc(CO)c3)c2c(=O)n(C)c1=O Show InChI InChI=1S/C23H27N5O3S/c1-12(2)10-28-22-20(21(30)27(5)23(28)31)19(15-6-7-24-16(8-15)11-29)18(32-22)9-17-13(3)25-26-14(17)4/h6-8,12,29H,9-11H2,1-5H3,(H,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	90	n/a	n/a	n/a	n/a
Virginia Commonwealth University					Assay Description pecific Examples 1-52 of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt...				Bioorg Med Chem 17: 6496-504 (2009) BindingDB Entry DOI: 10.7270/Q2B27XM9
					More data for this Ligand-Target Pair
Malignant T-cell-amplified sequence 1 (Homo sapiens (human))	BDBM403095 (US10329303, Example 11) Show SMILES CC(C)Cn1c2sc(Cc3c(C)n[nH]c3C)c(-c3cc(F)cc(CO)c3)c2c(=O)n(C)c1=O Show InChI InChI=1S/C24H27FN4O3S/c1-12(2)10-29-23-21(22(31)28(5)24(29)32)20(16-6-15(11-30)7-17(25)8-16)19(33-23)9-18-13(3)26-27-14(18)4/h6-8,12,30H,9-11H2,1-5H3,(H,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	25	n/a	n/a	n/a	n/a
Virginia Commonwealth University					Assay Description pecific Examples 1-52 of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt...				Bioorg Med Chem 17: 6496-504 (2009) BindingDB Entry DOI: 10.7270/Q2B27XM9
					More data for this Ligand-Target Pair
Malignant T-cell-amplified sequence 1 (Homo sapiens (human))	BDBM403109 (US10329303, Example 12) Show SMILES CC(C)Cn1c2sc(Cc3c(C)n[nH]c3C)c(-c3cncc(CO)c3)c2c(=O)n(C)c1=O Show InChI InChI=1S/C23H27N5O3S/c1-12(2)10-28-22-20(21(30)27(5)23(28)31)19(16-6-15(11-29)8-24-9-16)18(32-22)7-17-13(3)25-26-14(17)4/h6,8-9,12,29H,7,10-11H2,1-5H3,(H,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	75	n/a	n/a	n/a	n/a
Virginia Commonwealth University					Assay Description pecific Examples 1-52 of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt...				Bioorg Med Chem 17: 6496-504 (2009) BindingDB Entry DOI: 10.7270/Q2B27XM9
					More data for this Ligand-Target Pair
Malignant T-cell-amplified sequence 1 (Homo sapiens (human))	BDBM403111 (US10329303, Example 13) Show SMILES CC(C)Cn1c2sc(Cc3c(C)n[nH]c3C)c(-c3cccc(c3)C(C)O)c2c(=O)n(C)c1=O Show InChI InChI=1S/C25H30N4O3S/c1-13(2)12-29-24-22(23(31)28(6)25(29)32)21(18-9-7-8-17(10-18)16(5)30)20(33-24)11-19-14(3)26-27-15(19)4/h7-10,13,16,30H,11-12H2,1-6H3,(H,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	50	n/a	n/a	n/a	n/a
Virginia Commonwealth University					Assay Description pecific Examples 1-52 of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt...				Bioorg Med Chem 17: 6496-504 (2009) BindingDB Entry DOI: 10.7270/Q2B27XM9
					More data for this Ligand-Target Pair
Malignant T-cell-amplified sequence 1 (Homo sapiens (human))	BDBM403118 (US10329303, Example 14) Show SMILES CC(C)Cn1c2sc(Cc3c(C)n[nH]c3C)c(-c3cccc(c3)C(O)C(F)(F)F)c2c(=O)n(C)c1=O Show InChI InChI=1S/C25H27F3N4O3S/c1-12(2)11-32-23-20(22(34)31(5)24(32)35)19(18(36-23)10-17-13(3)29-30-14(17)4)15-7-6-8-16(9-15)21(33)25(26,27)28/h6-9,12,21,33H,10-11H2,1-5H3,(H,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<20	n/a	n/a	n/a	n/a
Virginia Commonwealth University					Assay Description pecific Examples 1-52 of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt...				Bioorg Med Chem 17: 6496-504 (2009) BindingDB Entry DOI: 10.7270/Q2B27XM9
					More data for this Ligand-Target Pair
Malignant T-cell-amplified sequence 1 (Homo sapiens (human))	BDBM403142 (US10329303, Example 15) Show SMILES CC(C)Cn1c2sc(Cc3c(C)n[nH]c3C)c(-c3cccc(CO)c3)c2c(=O)n(C)c1=O Show InChI InChI=1S/C24H28N4O3S/c1-13(2)11-28-23-21(22(30)27(5)24(28)31)20(17-8-6-7-16(9-17)12-29)19(32-23)10-18-14(3)25-26-15(18)4/h6-9,13,29H,10-12H2,1-5H3,(H,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<20	n/a	n/a	n/a	n/a
Virginia Commonwealth University					Assay Description pecific Examples 1-52 of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt...				Bioorg Med Chem 17: 6496-504 (2009) BindingDB Entry DOI: 10.7270/Q2B27XM9
					More data for this Ligand-Target Pair
Malignant T-cell-amplified sequence 1 (Homo sapiens (human))	BDBM403155 (US10329303, Example 16) Show SMILES CC(C)Cn1c2sc(Cc3c(C)n[nH]c3C)c(-c3ccc(F)c(CO)c3)c2c(=O)n(C2CC2)c1=O Show InChI InChI=1S/C26H29FN4O3S/c1-13(2)11-30-25-23(24(33)31(26(30)34)18-6-7-18)22(16-5-8-20(27)17(9-16)12-32)21(35-25)10-19-14(3)28-29-15(19)4/h5,8-9,13,18,32H,6-7,10-12H2,1-4H3,(H,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	220	n/a	n/a	n/a	n/a
Virginia Commonwealth University					Assay Description pecific Examples 1-52 of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt...				Bioorg Med Chem 17: 6496-504 (2009) BindingDB Entry DOI: 10.7270/Q2B27XM9
					More data for this Ligand-Target Pair
Malignant T-cell-amplified sequence 1 (Homo sapiens (human))	BDBM403158 (US10329303, Example 17) Show SMILES CC(C)Cn1c2sc(Cc3c(C)n[nH]c3C)c(-c3cc(C)cc(CO)c3F)c2c(=O)n(C2CC2)c1=O |(-3.39,-5.89,;-3.39,-4.35,;-4.73,-3.58,;-2.06,-3.58,;-2.06,-2.04,;-.72,-1.27,;.74,-1.75,;1.65,-.5,;3.19,-.5,;3.96,-1.84,;3.48,-3.3,;2.15,-4.07,;4.73,-4.21,;5.97,-3.3,;5.5,-1.84,;6.27,-.5,;.74,.74,;1.14,2.23,;.05,3.32,;.45,4.81,;-.64,5.89,;1.94,5.2,;3.02,4.12,;4.51,4.51,;5.6,3.42,;2.63,2.63,;3.72,1.54,;-.72,.27,;-2.06,1.04,;-2.06,2.58,;-3.39,.27,;-4.73,1.04,;-6.27,1.04,;-5.5,2.37,;-3.39,-1.27,;-4.73,-2.04,)| Show InChI InChI=1S/C27H31FN4O3S/c1-13(2)11-31-26-23(25(34)32(27(31)35)18-6-7-18)22(20-9-14(3)8-17(12-33)24(20)28)21(36-26)10-19-15(4)29-30-16(19)5/h8-9,13,18,33H,6-7,10-12H2,1-5H3,(H,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a
Virginia Commonwealth University					Assay Description pecific Examples 1-52 of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt...				Bioorg Med Chem 17: 6496-504 (2009) BindingDB Entry DOI: 10.7270/Q2B27XM9
					More data for this Ligand-Target Pair
Malignant T-cell-amplified sequence 1 (Homo sapiens (human))	BDBM403181 (US10329303, Example 18) Show SMILES CC(C)Cn1c2sc(Cc3c(C)n[nH]c3C)c(-c3cc(F)c(F)c(CO)c3)c2c(=O)n(C2CC2)c1=O Show InChI InChI=1S/C26H28F2N4O3S/c1-12(2)10-31-25-22(24(34)32(26(31)35)17-5-6-17)21(15-7-16(11-33)23(28)19(27)8-15)20(36-25)9-18-13(3)29-30-14(18)4/h7-8,12,17,33H,5-6,9-11H2,1-4H3,(H,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	900	n/a	n/a	n/a	n/a
Virginia Commonwealth University					Assay Description pecific Examples 1-52 of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt...				Bioorg Med Chem 17: 6496-504 (2009) BindingDB Entry DOI: 10.7270/Q2B27XM9
					More data for this Ligand-Target Pair
Malignant T-cell-amplified sequence 1 (Homo sapiens (human))	BDBM403182 (US10329303, Example 19) Show SMILES CC(C)Cn1c2sc(Cc3c(C)n[nH]c3C)c(-c3cc(CO)c(F)cc3F)c2c(=O)n(C2CC2)c1=O |(-3.39,-6.29,;-3.39,-4.75,;-4.73,-3.98,;-2.06,-3.98,;-2.06,-2.44,;-.72,-1.67,;.74,-2.15,;1.65,-.9,;3.19,-.9,;3.96,-2.24,;3.48,-3.7,;2.15,-4.47,;4.73,-4.61,;5.97,-3.7,;5.5,-2.24,;6.27,-.9,;.74,.34,;1.14,1.83,;2.63,2.23,;3.02,3.72,;4.51,4.12,;5.6,3.03,;1.94,4.81,;2.33,6.29,;.45,4.41,;.05,2.92,;-1.44,3.32,;-.72,-.13,;-2.06,.64,;-2.06,2.18,;-3.39,-.13,;-4.73,.64,;-6.27,.64,;-5.5,1.97,;-3.39,-1.67,;-4.73,-2.44,)| Show InChI InChI=1S/C26H28F2N4O3S/c1-12(2)10-31-25-23(24(34)32(26(31)35)16-5-6-16)22(18-7-15(11-33)19(27)9-20(18)28)21(36-25)8-17-13(3)29-30-14(17)4/h7,9,12,16,33H,5-6,8,10-11H2,1-4H3,(H,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	70	n/a	n/a	n/a	n/a
Virginia Commonwealth University					Assay Description pecific Examples 1-52 of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt...				Bioorg Med Chem 17: 6496-504 (2009) BindingDB Entry DOI: 10.7270/Q2B27XM9
					More data for this Ligand-Target Pair
Malignant T-cell-amplified sequence 1 (Homo sapiens (human))	BDBM403184 (US10329303, Example 20) Show SMILES CC(C)Cn1c2sc(Cc3c(C)n[nH]c3C)c(-c3cccc(CO)c3F)c2c(=O)n(C2CC2)c1=O |(-3.39,-5.55,;-3.39,-4.01,;-4.73,-3.24,;-2.06,-3.24,;-2.06,-1.7,;-.72,-.93,;.74,-1.41,;1.65,-.16,;3.19,-.16,;3.96,-1.49,;3.48,-2.96,;2.15,-3.73,;4.73,-3.86,;5.97,-2.96,;5.5,-1.49,;6.27,-.16,;.74,1.09,;1.14,2.57,;.05,3.66,;.45,5.15,;1.94,5.55,;3.02,4.46,;4.51,4.86,;5.6,3.77,;2.63,2.97,;3.72,1.88,;-.72,.61,;-2.06,1.38,;-2.06,2.92,;-3.39,.61,;-4.73,1.38,;-6.27,1.38,;-5.5,2.71,;-3.39,-.93,;-4.73,-1.7,)| Show InChI InChI=1S/C26H29FN4O3S/c1-13(2)11-30-25-22(24(33)31(26(30)34)17-8-9-17)21(18-7-5-6-16(12-32)23(18)27)20(35-25)10-19-14(3)28-29-15(19)4/h5-7,13,17,32H,8-12H2,1-4H3,(H,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<20	n/a	n/a	n/a	n/a
Virginia Commonwealth University					Assay Description pecific Examples 1-52 of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt...				Bioorg Med Chem 17: 6496-504 (2009) BindingDB Entry DOI: 10.7270/Q2B27XM9
					More data for this Ligand-Target Pair
Malignant T-cell-amplified sequence 1 (Homo sapiens (human))	BDBM403188 (US10329303, Example 21) Show SMILES CC(C)Cn1c2sc(Cc3c(C)n[nH]c3C)c(-c3ccc(F)c(CO)c3F)c2c(=O)n(C2CC2)c1=O |(-3.39,-6.29,;-3.39,-4.75,;-4.73,-3.98,;-2.06,-3.98,;-2.06,-2.44,;-.72,-1.67,;.74,-2.15,;1.65,-.9,;3.19,-.9,;3.96,-2.24,;3.48,-3.7,;2.15,-4.47,;4.73,-4.61,;5.97,-3.7,;5.5,-2.24,;6.27,-.9,;.74,.34,;1.14,1.83,;.05,2.92,;.45,4.41,;1.94,4.81,;2.33,6.29,;3.02,3.72,;4.51,4.12,;5.6,3.03,;2.63,2.23,;3.72,1.14,;-.72,-.13,;-2.06,.64,;-2.06,2.18,;-3.39,-.13,;-4.73,.64,;-6.27,.64,;-5.5,1.97,;-3.39,-1.67,;-4.73,-2.44,)| Show InChI InChI=1S/C26H28F2N4O3S/c1-12(2)10-31-25-22(24(34)32(26(31)35)15-5-6-15)21(16-7-8-19(27)18(11-33)23(16)28)20(36-25)9-17-13(3)29-30-14(17)4/h7-8,12,15,33H,5-6,9-11H2,1-4H3,(H,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<20	n/a	n/a	n/a	n/a
Virginia Commonwealth University					Assay Description pecific Examples 1-52 of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt...				Bioorg Med Chem 17: 6496-504 (2009) BindingDB Entry DOI: 10.7270/Q2B27XM9
					More data for this Ligand-Target Pair
Malignant T-cell-amplified sequence 1 (Homo sapiens (human))	BDBM403218 (US10329303, Example 22) Show SMILES CC(C)Cn1c2sc(Cc3c(C)n[nH]c3C)c(-c3cc(CO)ccc3F)c2c(=O)n(C2CC2)c1=O |(-3.39,-5.55,;-3.39,-4.01,;-4.73,-3.24,;-2.06,-3.24,;-2.06,-1.7,;-.72,-.93,;.74,-1.41,;1.65,-.16,;3.19,-.16,;3.96,-1.49,;3.48,-2.96,;2.15,-3.73,;4.73,-3.86,;5.97,-2.96,;5.5,-1.49,;6.27,-.16,;.74,1.09,;1.14,2.57,;2.63,2.97,;3.02,4.46,;4.51,4.86,;5.6,3.77,;1.94,5.55,;.45,5.15,;.05,3.66,;-1.44,4.06,;-.72,.61,;-2.06,1.38,;-2.06,2.92,;-3.39,.61,;-4.73,1.38,;-6.27,1.38,;-5.5,2.71,;-3.39,-.93,;-4.73,-1.7,)| Show InChI InChI=1S/C26H29FN4O3S/c1-13(2)11-30-25-23(24(33)31(26(30)34)17-6-7-17)22(19-9-16(12-32)5-8-20(19)27)21(35-25)10-18-14(3)28-29-15(18)4/h5,8-9,13,17,32H,6-7,10-12H2,1-4H3,(H,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<20	n/a	n/a	n/a	n/a
Virginia Commonwealth University					Assay Description pecific Examples 1-52 of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt...				Bioorg Med Chem 17: 6496-504 (2009) BindingDB Entry DOI: 10.7270/Q2B27XM9
					More data for this Ligand-Target Pair
Malignant T-cell-amplified sequence 1 (Homo sapiens (human))	BDBM403224 (US10329303, Example 23) Show SMILES CC(C)Cn1c2sc(Cc3c(C)n[nH]c3C)c(-c3ccnc(CO)c3)c2c(=O)n(C2CC2)c1=O Show InChI InChI=1S/C25H29N5O3S/c1-13(2)11-29-24-22(23(32)30(25(29)33)18-5-6-18)21(16-7-8-26-17(9-16)12-31)20(34-24)10-19-14(3)27-28-15(19)4/h7-9,13,18,31H,5-6,10-12H2,1-4H3,(H,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<20	n/a	n/a	n/a	n/a
Virginia Commonwealth University					Assay Description pecific Examples 1-52 of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt...				Bioorg Med Chem 17: 6496-504 (2009) BindingDB Entry DOI: 10.7270/Q2B27XM9
					More data for this Ligand-Target Pair
Malignant T-cell-amplified sequence 1 (Homo sapiens (human))	BDBM403225 (US10329303, Example 24) Show SMILES CC(C)Cn1c2sc(Cc3c(C)n[nH]c3C)c(-c3cccc(CO)c3)c2c(=O)n(C2CC2)c1=O Show InChI InChI=1S/C26H30N4O3S/c1-14(2)12-29-25-23(24(32)30(26(29)33)19-8-9-19)22(18-7-5-6-17(10-18)13-31)21(34-25)11-20-15(3)27-28-16(20)4/h5-7,10,14,19,31H,8-9,11-13H2,1-4H3,(H,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	1	n/a	n/a	n/a	n/a
Virginia Commonwealth University					Assay Description pecific Examples 1-52 of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt...				Bioorg Med Chem 17: 6496-504 (2009) BindingDB Entry DOI: 10.7270/Q2B27XM9
					More data for this Ligand-Target Pair
Malignant T-cell-amplified sequence 1 (Homo sapiens (human))	BDBM403226 (US10329303, Example 25) Show SMILES CC(C)Cc1nn(C)c(=O)c2c(-c3ncc(CO)s3)n(Cc3cccc4ccccc34)cc12 Show InChI InChI=1S/C26H26N4O2S/c1-16(2)11-22-21-14-30(13-18-9-6-8-17-7-4-5-10-20(17)18)24(23(21)26(32)29(3)28-22)25-27-12-19(15-31)33-25/h4-10,12,14,16,31H,11,13,15H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	300	n/a	n/a	n/a	n/a
Virginia Commonwealth University					Assay Description pecific Examples 1-52 of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt...				Bioorg Med Chem 17: 6496-504 (2009) BindingDB Entry DOI: 10.7270/Q2B27XM9
					More data for this Ligand-Target Pair
Malignant T-cell-amplified sequence 1 (Homo sapiens (human))	BDBM403227 (US10329303, Example 26) Show SMILES CC(C)Cc1nn(C)c(=O)c2c(-c3csc(CO)n3)n(Cc3cccc4ccccc34)cc12 Show InChI InChI=1S/C26H26N4O2S/c1-16(2)11-21-20-13-30(12-18-9-6-8-17-7-4-5-10-19(17)18)25(22-15-33-23(14-31)27-22)24(20)26(32)29(3)28-21/h4-10,13,15-16,31H,11-12,14H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	90	n/a	n/a	n/a	n/a
Virginia Commonwealth University					Assay Description pecific Examples 1-52 of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt...				Bioorg Med Chem 17: 6496-504 (2009) BindingDB Entry DOI: 10.7270/Q2B27XM9
					More data for this Ligand-Target Pair

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