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PubMed code 27347360

Compile data set for download or QSAR
Found 16 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Monocarboxylate transporter 1


(Homo sapiens (Human))		BDBM50180641
PNG
(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)
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n/an/an/an/a 24n/an/an/an/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
PNG
(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
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n/an/an/an/a 55n/an/an/an/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
PNG
(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
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n/an/an/an/a 4n/an/an/an/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
PNG
(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
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n/an/an/an/a 690n/an/an/an/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
PNG
(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)
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n/an/an/an/a 0.800n/an/an/an/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
PNG
(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
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n/an/an/an/a 11n/an/an/an/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
PNG
(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
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n/an/an/an/a 5n/an/an/an/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))		BDBM50180637
PNG
(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
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n/an/an/an/a 1.00E+3n/an/an/an/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
PNG
(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)
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n/an/an/an/a 420n/an/an/an/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
PNG
(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
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n/an/an/an/a 100n/an/an/an/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
PNG
(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
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n/an/an/an/a 0.800n/an/an/an/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
PNG
(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)
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n/an/an/an/a 520n/an/an/an/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
PNG
(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
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n/an/an/an/a 500n/an/an/an/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
PNG
(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
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n/an/an/an/a 0.800n/an/an/an/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
PNG
(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
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n/an/an/an/a 0.160n/an/an/an/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
PNG
(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
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n/an/an/an/a 60n/an/an/an/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
* indicates data uncertainty>20%