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Compile Data Set for Download or QSAR

Found 752 hits with Last Name = 'rawlins' and Initial = 'db'   
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
LIM domain kinase 1


(Homo sapiens (Human))		BDBM50299583
PNG
((S)-N-(3-bromophenyl)-N'-cyano-2-methyl-4-(5-methy...)
Show SMILES C[C@H]1CN(CCN1C(NC#N)=Nc1cccc(Br)c1)c1ncnc2[nH]cc(C)c12
Show InChI InChI=1S/C20H21BrN8/c1-13-9-23-18-17(13)19(26-12-25-18)28-6-7-29(14(2)10-28)20(24-11-22)27-16-5-3-4-15(21)8-16/h3-5,8-9,12,14H,6-7,10H2,1-2H3,(H,24,27)(H,23,25,26)/t14-/m0/s1
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n/an/a 0.5n/an/an/an/an/an/a



Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of LIMK1

J Med Chem 52: 6515-8 (2009)


Article DOI: 10.1021/jm901226j
BindingDB Entry DOI: 10.7270/Q2HH6K4J
More data for this
Ligand-Target Pair
LIM domain kinase 2


(Homo sapiens (Human))		BDBM50299619
PNG
((S)-3-(N'-cyano-2-methyl-4-(5-methyl-7H-pyrrolo[2,...)
Show SMILES C[C@H]1CN(CCN1C(NC#N)=Nc1cccc(c1)C(=O)NCCO)c1ncnc2[nH]cc(C)c12
Show InChI InChI=1S/C23H27N9O2/c1-15-11-26-20-19(15)21(29-14-28-20)31-7-8-32(16(2)12-31)23(27-13-24)30-18-5-3-4-17(10-18)22(34)25-6-9-33/h3-5,10-11,14,16,33H,6-9,12H2,1-2H3,(H,25,34)(H,27,30)(H,26,28,29)/t16-/m0/s1
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n/an/a 0.800n/an/an/an/an/an/a



Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LIMK2 expressed in baculovirus-Sf9 system by scintillation counting

J Med Chem 52: 6515-8 (2009)


Article DOI: 10.1021/jm901226j
BindingDB Entry DOI: 10.7270/Q2HH6K4J
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))		BDBM50235018
PNG
(CHEMBL4072070)
Show SMILES CS[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cc2ccc(OCCCC(=O)NC(C)(C)CO)cc2)c1
Show InChI InChI=1S/C27H36ClNO7S/c1-27(2,15-30)29-21(31)5-4-12-35-19-9-6-16(7-10-19)13-18-14-17(8-11-20(18)28)25-23(33)22(32)24(34)26(36-25)37-3/h6-11,14,22-26,30,32-34H,4-5,12-13,15H2,1-3H3,(H,29,31)/t22-,23-,24+,25+,26-/m1/s1
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n/an/a 0.900n/an/an/an/an/an/a



Lexicon Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human HA-tagged SGLT2 expressed in HEK293 cells assessed as decrease in [14C]-AMG uptake measured after 1 to 2 hrs by scintillation cou...

J Med Chem 60: 710-721 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01541
BindingDB Entry DOI: 10.7270/Q2C24ZQ7
More data for this
Ligand-Target Pair
LIM domain kinase 2


(Homo sapiens (Human))		BDBM50299583
PNG
((S)-N-(3-bromophenyl)-N'-cyano-2-methyl-4-(5-methy...)
Show SMILES C[C@H]1CN(CCN1C(NC#N)=Nc1cccc(Br)c1)c1ncnc2[nH]cc(C)c12
Show InChI InChI=1S/C20H21BrN8/c1-13-9-23-18-17(13)19(26-12-25-18)28-6-7-29(14(2)10-28)20(24-11-22)27-16-5-3-4-15(21)8-16/h3-5,8-9,12,14H,6-7,10H2,1-2H3,(H,24,27)(H,23,25,26)/t14-/m0/s1
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n/an/a 0.900n/an/an/an/an/an/a



Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LIMK2 expressed in baculovirus-Sf9 system by scintillation counting

J Med Chem 52: 6515-8 (2009)


Article DOI: 10.1021/jm901226j
BindingDB Entry DOI: 10.7270/Q2HH6K4J
More data for this
Ligand-Target Pair
LIM domain kinase 2


(Homo sapiens (Human))		BDBM50044006
PNG
(CHEMBL3356431)
Show SMILES CN(C)C(=O)Oc1cccc(NC(=O)C2(Cc3c[nH]cn3)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1
Show InChI InChI=1S/C26H30N8O3/c1-17-13-28-22-21(17)23(31-16-30-22)34-9-7-26(8-10-34,12-19-14-27-15-29-19)24(35)32-18-5-4-6-20(11-18)37-25(36)33(2)3/h4-6,11,13-16H,7-10,12H2,1-3H3,(H,27,29)(H,32,35)(H,28,30,31)
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n/an/a 1n/an/an/an/an/an/a



Lexicon Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human full-length LIMK2 assessed as incorporation of P33 from ATP into biotinylated-cofilin substrate by scintillation counting analysi...

ACS Med Chem Lett 6: 84-8 (2015)


Article DOI: 10.1021/ml500367g
BindingDB Entry DOI: 10.7270/Q218384X
More data for this
Ligand-Target Pair
LIM domain kinase 2


(Homo sapiens (Human))		BDBM50299616
PNG
((S)-N-(3-tert-butylphenyl)-N'-cyano-2-methyl-4-(5-...)
Show SMILES C[C@H]1CN(CCN1C(NC#N)=Nc1cccc(c1)C(C)(C)C)c1ncnc2[nH]cc(C)c12
Show InChI InChI=1S/C24H30N8/c1-16-12-26-21-20(16)22(29-15-28-21)31-9-10-32(17(2)13-31)23(27-14-25)30-19-8-6-7-18(11-19)24(3,4)5/h6-8,11-12,15,17H,9-10,13H2,1-5H3,(H,27,30)(H,26,28,29)/t17-/m0/s1
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Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LIMK2 expressed in baculovirus-Sf9 system by scintillation counting

J Med Chem 52: 6515-8 (2009)


Article DOI: 10.1021/jm901226j
BindingDB Entry DOI: 10.7270/Q2HH6K4J
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1 (SGLT1)


(Homo sapiens (Human))		BDBM176693
PNG
(US9688710, 116 4-(4-(2-methyl-5-((2S,3R,4R,5S,6R)-...)
Show SMILES CS[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(C)c(Cc2ccc(CCCC(=O)NC3(CC3)C(=O)N3CCN(C)CC3)cc2)c1
Show InChI InChI=1S/C33H45N3O6S/c1-21-7-12-24(30-28(39)27(38)29(40)31(42-30)43-3)20-25(21)19-23-10-8-22(9-11-23)5-4-6-26(37)34-33(13-14-33)32(41)36-17-15-35(2)16-18-36/h7-12,20,27-31,38-40H,4-6,13-19H2,1-3H3,(H,34,37)/t27-,28-,29+,30+,31-/m1/s1
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Lexicon Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human HA-tagged SGLT1 expressed in HEK293 cells assessed as decrease in [14C]-AMG uptake measured after 1 to 2 hrs by scintillation cou...

J Med Chem 60: 710-721 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01541
BindingDB Entry DOI: 10.7270/Q2C24ZQ7
More data for this
Ligand-Target Pair
LIM domain kinase 2


(Homo sapiens (Human))		BDBM50299586
PNG
((S)-3-(2-methyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrim...)
Show SMILES C[C@H]1CN(CCN1C(=O)Nc1cccc(OC(=O)N(C)C)c1)c1ncnc2[nH]cc(C)c12
Show InChI InChI=1S/C22H27N7O3/c1-14-11-23-19-18(14)20(25-13-24-19)28-8-9-29(15(2)12-28)21(30)26-16-6-5-7-17(10-16)32-22(31)27(3)4/h5-7,10-11,13,15H,8-9,12H2,1-4H3,(H,26,30)(H,23,24,25)/t15-/m0/s1
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Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LIMK2 expressed in baculovirus-Sf9 system by scintillation counting

J Med Chem 52: 6515-8 (2009)


Article DOI: 10.1021/jm901226j
BindingDB Entry DOI: 10.7270/Q2HH6K4J
More data for this
Ligand-Target Pair
LIM domain kinase 2


(Homo sapiens (Human))		BDBM50299615
PNG
((S)-N'-cyano-N-(3-cyanophenyl)-2-methyl-4-(5-methy...)
Show SMILES C[C@H]1CN(CCN1C(NC#N)=Nc1cccc(c1)C#N)c1ncnc2[nH]cc(C)c12
Show InChI InChI=1S/C21H21N9/c1-14-10-24-19-18(14)20(27-13-26-19)29-6-7-30(15(2)11-29)21(25-12-23)28-17-5-3-4-16(8-17)9-22/h3-5,8,10,13,15H,6-7,11H2,1-2H3,(H,25,28)(H,24,26,27)/t15-/m0/s1
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Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LIMK2 expressed in baculovirus-Sf9 system by scintillation counting

J Med Chem 52: 6515-8 (2009)


Article DOI: 10.1021/jm901226j
BindingDB Entry DOI: 10.7270/Q2HH6K4J
More data for this
Ligand-Target Pair
LIM domain kinase 2


(Homo sapiens (Human))		BDBM50299586
PNG
((S)-3-(2-methyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrim...)
Show SMILES C[C@H]1CN(CCN1C(=O)Nc1cccc(OC(=O)N(C)C)c1)c1ncnc2[nH]cc(C)c12
Show InChI InChI=1S/C22H27N7O3/c1-14-11-23-19-18(14)20(25-13-24-19)28-8-9-29(15(2)12-28)21(30)26-16-6-5-7-17(10-16)32-22(31)27(3)4/h5-7,10-11,13,15H,8-9,12H2,1-4H3,(H,26,30)(H,23,24,25)/t15-/m0/s1
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Lexicon Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human full-length LIMK2 assessed as incorporation of P33 from ATP into biotinylated-cofilin substrate by scintillation counting analysi...

ACS Med Chem Lett 6: 84-8 (2015)


Article DOI: 10.1021/ml500367g
BindingDB Entry DOI: 10.7270/Q218384X
More data for this
Ligand-Target Pair
LIM domain kinase 2


(Homo sapiens (Human))		BDBM50044086
PNG
(CHEMBL3356064)
Show SMILES C[C@H]1CN(CCN1C(=O)Nc1ccccc1)c1ncnc2[nH]cc(C)c12
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n/an/a 1.20n/an/an/an/an/an/a



Lexicon Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human full-length LIMK2 assessed as incorporation of P33 from ATP into biotinylated-cofilin substrate by scintillation counting analysi...

ACS Med Chem Lett 6: 84-8 (2015)


Article DOI: 10.1021/ml500367g
BindingDB Entry DOI: 10.7270/Q218384X
More data for this
Ligand-Target Pair
LIM domain kinase 2


(Homo sapiens (Human))		BDBM50299607
PNG
((S)-N-(3-bromophenyl)-4-(5-chloro-7H-pyrrolo[2,3-d...)
Show SMILES C[C@H]1CN(CCN1C(NC#N)=Nc1cccc(Br)c1)c1ncnc2[nH]cc(Cl)c12
Show InChI InChI=1S/C19H18BrClN8/c1-12-9-28(18-16-15(21)8-23-17(16)25-11-26-18)5-6-29(12)19(24-10-22)27-14-4-2-3-13(20)7-14/h2-4,7-8,11-12H,5-6,9H2,1H3,(H,24,27)(H,23,25,26)/t12-/m0/s1
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Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LIMK2 expressed in baculovirus-Sf9 system by scintillation counting

J Med Chem 52: 6515-8 (2009)


Article DOI: 10.1021/jm901226j
BindingDB Entry DOI: 10.7270/Q2HH6K4J
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))		BDBM176709
PNG
(US9688710, 132 N-(1-((2-(dimethylamino)ethyl)(meth...)
Show SMILES CS[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(C)c(Cc2ccc(CCCC(=O)NC(C)(C)C(=O)N(C)CCN(C)C)cc2)c1
Show InChI InChI=1S/C33H49N3O6S/c1-21-11-16-24(30-28(39)27(38)29(40)31(42-30)43-7)20-25(21)19-23-14-12-22(13-15-23)9-8-10-26(37)34-33(2,3)32(41)36(6)18-17-35(4)5/h11-16,20,27-31,38-40H,8-10,17-19H2,1-7H3,(H,34,37)/t27-,28-,29+,30+,31-/m1/s1
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n/an/a 1.30n/an/an/an/an/an/a



Lexicon Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human HA-tagged SGLT2 expressed in HEK293 cells assessed as decrease in [14C]-AMG uptake measured after 1 to 2 hrs by scintillation cou...

J Med Chem 60: 710-721 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01541
BindingDB Entry DOI: 10.7270/Q2C24ZQ7
More data for this
Ligand-Target Pair
LIM domain kinase 2


(Homo sapiens (Human))		BDBM50299584
PNG
((S)-N-(3-bromo-4-fluorophenyl)-N'-cyano-2-methyl-4...)
Show SMILES C[C@H]1CN(CCN1C(NC#N)=Nc1ccc(F)c(Br)c1)c1ncnc2[nH]cc(C)c12
Show InChI InChI=1S/C20H20BrFN8/c1-12-8-24-18-17(12)19(27-11-26-18)29-5-6-30(13(2)9-29)20(25-10-23)28-14-3-4-16(22)15(21)7-14/h3-4,7-8,11,13H,5-6,9H2,1-2H3,(H,25,28)(H,24,26,27)/t13-/m0/s1
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Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LIMK2 expressed in baculovirus-Sf9 system by scintillation counting

J Med Chem 52: 6515-8 (2009)


Article DOI: 10.1021/jm901226j
BindingDB Entry DOI: 10.7270/Q2HH6K4J
More data for this
Ligand-Target Pair
LIM domain kinase 2


(Homo sapiens (Human))		BDBM50299611
PNG
((S)-N-(3-chlorophenyl)-N'-cyano-2-methyl-4-(5-meth...)
Show SMILES C[C@H]1CN(CCN1C(NC#N)=Nc1cccc(Cl)c1)c1ncnc2[nH]cc(C)c12
Show InChI InChI=1S/C20H21ClN8/c1-13-9-23-18-17(13)19(26-12-25-18)28-6-7-29(14(2)10-28)20(24-11-22)27-16-5-3-4-15(21)8-16/h3-5,8-9,12,14H,6-7,10H2,1-2H3,(H,24,27)(H,23,25,26)/t14-/m0/s1
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Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LIMK2 expressed in baculovirus-Sf9 system by scintillation counting

J Med Chem 52: 6515-8 (2009)


Article DOI: 10.1021/jm901226j
BindingDB Entry DOI: 10.7270/Q2HH6K4J
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))		BDBM176724
PNG
(US9688710, 146 (3R,4R,5S,6R)-2-(3-(4-(3-((3-(dimet...)
Show SMILES CS[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(C)c(Cc2ccc(OCCCNCC(C)(C)CN(C)C)cc2)c1
Show InChI InChI=1S/C30H46N2O5S/c1-20-8-11-22(28-26(34)25(33)27(35)29(37-28)38-6)17-23(20)16-21-9-12-24(13-10-21)36-15-7-14-31-18-30(2,3)19-32(4)5/h8-13,17,25-29,31,33-35H,7,14-16,18-19H2,1-6H3/t25-,26-,27+,28+,29-/m1/s1
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Lexicon Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human HA-tagged SGLT2 expressed in HEK293 cells assessed as decrease in [14C]-AMG uptake measured after 1 to 2 hrs by scintillation cou...

J Med Chem 60: 710-721 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01541
BindingDB Entry DOI: 10.7270/Q2C24ZQ7
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1 (SGLT1)


(Homo sapiens (Human))		BDBM176697
PNG
(US9688710, 120 N-(2-methyl-1-(4-methylpiperidin-1-...)
Show SMILES CS[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(C)c(Cc2ccc(CCCC(=O)NC(C)(C)C(=O)N3CCC(C)CC3)cc2)c1
Show InChI InChI=1S/C34H48N2O6S/c1-21-15-17-36(18-16-21)33(41)34(3,4)35-27(37)8-6-7-23-10-12-24(13-11-23)19-26-20-25(14-9-22(26)2)31-29(39)28(38)30(40)32(42-31)43-5/h9-14,20-21,28-32,38-40H,6-8,15-19H2,1-5H3,(H,35,37)/t28-,29-,30+,31+,32-/m1/s1
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Lexicon Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human HA-tagged SGLT1 expressed in HEK293 cells assessed as decrease in [14C]-AMG uptake measured after 1 to 2 hrs by scintillation cou...

J Med Chem 60: 710-721 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01541
BindingDB Entry DOI: 10.7270/Q2C24ZQ7
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1 (SGLT1)


(Homo sapiens (Human))		BDBM176709
PNG
(US9688710, 132 N-(1-((2-(dimethylamino)ethyl)(meth...)
Show SMILES CS[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(C)c(Cc2ccc(CCCC(=O)NC(C)(C)C(=O)N(C)CCN(C)C)cc2)c1
Show InChI InChI=1S/C33H49N3O6S/c1-21-11-16-24(30-28(39)27(38)29(40)31(42-30)43-7)20-25(21)19-23-14-12-22(13-15-23)9-8-10-26(37)34-33(2,3)32(41)36(6)18-17-35(4)5/h11-16,20,27-31,38-40H,8-10,17-19H2,1-7H3,(H,34,37)/t27-,28-,29+,30+,31-/m1/s1
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n/an/a 1.70n/an/an/an/an/an/a



Lexicon Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human HA-tagged SGLT1 expressed in HEK293 cells assessed as decrease in [14C]-AMG uptake measured after 1 to 2 hrs by scintillation cou...

J Med Chem 60: 710-721 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01541
BindingDB Entry DOI: 10.7270/Q2C24ZQ7
More data for this
Ligand-Target Pair
LIM domain kinase 2


(Homo sapiens (Human))		BDBM50299623
PNG
((S)-N'-cyano-N-(3-(N-isopropylsulfamoyl)phenyl)-2-...)
Show SMILES CC(C)NS(=O)(=O)c1cccc(c1)N=C(NC#N)N1CCN(C[C@@H]1C)c1ncnc2[nH]cc(C)c12
Show InChI InChI=1S/C23H29N9O2S/c1-15(2)30-35(33,34)19-7-5-6-18(10-19)29-23(26-13-24)32-9-8-31(12-17(32)4)22-20-16(3)11-25-21(20)27-14-28-22/h5-7,10-11,14-15,17,30H,8-9,12H2,1-4H3,(H,26,29)(H,25,27,28)/t17-/m0/s1
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Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LIMK2 expressed in baculovirus-Sf9 system by scintillation counting

J Med Chem 52: 6515-8 (2009)


Article DOI: 10.1021/jm901226j
BindingDB Entry DOI: 10.7270/Q2HH6K4J
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1 (SGLT1)


(Homo sapiens (Human))		BDBM176414
PNG
(US9688710, 113 N-(2-methyl-1-(4-methylpiperazin-1-...)
Show SMILES CS[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(C)c(Cc2ccc(CCCC(=O)NC(C)(C)C(=O)N3CCN(C)CC3)cc2)c1
Show InChI InChI=1S/C33H47N3O6S/c1-21-9-14-24(30-28(39)27(38)29(40)31(42-30)43-5)20-25(21)19-23-12-10-22(11-13-23)7-6-8-26(37)34-33(2,3)32(41)36-17-15-35(4)16-18-36/h9-14,20,27-31,38-40H,6-8,15-19H2,1-5H3,(H,34,37)/t27-,28-,29+,30+,31-/m1/s1
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Lexicon Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human HA-tagged SGLT1 expressed in HEK293 cells assessed as decrease in [14C]-AMG uptake measured after 1 to 2 hrs by scintillation cou...

J Med Chem 60: 710-721 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01541
BindingDB Entry DOI: 10.7270/Q2C24ZQ7
More data for this
Ligand-Target Pair
LIM domain kinase 2


(Homo sapiens (Human))		BDBM50299613
PNG
((S)-N'-cyano-N-(3-fluorophenyl)-2-methyl-4-(5-meth...)
Show SMILES C[C@H]1CN(CCN1C(NC#N)=Nc1cccc(F)c1)c1ncnc2[nH]cc(C)c12
Show InChI InChI=1S/C20H21FN8/c1-13-9-23-18-17(13)19(26-12-25-18)28-6-7-29(14(2)10-28)20(24-11-22)27-16-5-3-4-15(21)8-16/h3-5,8-9,12,14H,6-7,10H2,1-2H3,(H,24,27)(H,23,25,26)/t14-/m0/s1
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Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LIMK2 expressed in baculovirus-Sf9 system by scintillation counting

J Med Chem 52: 6515-8 (2009)


Article DOI: 10.1021/jm901226j
BindingDB Entry DOI: 10.7270/Q2HH6K4J
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))		BDBM50235017
PNG
(LP-802034 | LX-4211 | SOTAGLIFLOZIN | Sotagliflozi...)
Show SMILES CCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](SC)[C@@H](O)[C@H](O)[C@H]2O)cc1
Show InChI InChI=1S/C21H25ClO5S/c1-3-26-15-7-4-12(5-8-15)10-14-11-13(6-9-16(14)22)20-18(24)17(23)19(25)21(27-20)28-2/h4-9,11,17-21,23-25H,3,10H2,1-2H3/t17-,18-,19+,20+,21-/m1/s1
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Lexicon Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human HA-tagged SGLT2 expressed in HEK293 cells assessed as decrease in [14C]-AMG uptake measured after 1 to 2 hrs by scintillation cou...

J Med Chem 60: 710-721 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01541
BindingDB Entry DOI: 10.7270/Q2C24ZQ7
More data for this
Ligand-Target Pair
LIM domain kinase 2


(Homo sapiens (Human))		BDBM50044012
PNG
(CHEMBL3356424)
Show SMILES Cc1c[nH]c2ncnc(N3CCC(CC=C)(CC3)C(=O)Nc3cccc(Cl)c3)c12
Show InChI InChI=1S/C22H24ClN5O/c1-3-7-22(21(29)27-17-6-4-5-16(23)12-17)8-10-28(11-9-22)20-18-15(2)13-24-19(18)25-14-26-20/h3-6,12-14H,1,7-11H2,2H3,(H,27,29)(H,24,25,26)
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n/an/a 1.90n/an/an/an/an/an/a



Lexicon Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human full-length LIMK2 assessed as incorporation of P33 from ATP into biotinylated-cofilin substrate by scintillation counting analysi...

ACS Med Chem Lett 6: 84-8 (2015)


Article DOI: 10.1021/ml500367g
BindingDB Entry DOI: 10.7270/Q218384X
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))		BDBM176414
PNG
(US9688710, 113 N-(2-methyl-1-(4-methylpiperazin-1-...)
Show SMILES CS[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(C)c(Cc2ccc(CCCC(=O)NC(C)(C)C(=O)N3CCN(C)CC3)cc2)c1
Show InChI InChI=1S/C33H47N3O6S/c1-21-9-14-24(30-28(39)27(38)29(40)31(42-30)43-5)20-25(21)19-23-12-10-22(11-13-23)7-6-8-26(37)34-33(2,3)32(41)36-17-15-35(4)16-18-36/h9-14,20,27-31,38-40H,6-8,15-19H2,1-5H3,(H,34,37)/t27-,28-,29+,30+,31-/m1/s1
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Lexicon Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human HA-tagged SGLT2 expressed in HEK293 cells assessed as decrease in [14C]-AMG uptake measured after 1 to 2 hrs by scintillation cou...

J Med Chem 60: 710-721 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01541
BindingDB Entry DOI: 10.7270/Q2C24ZQ7
More data for this
Ligand-Target Pair
LIM domain kinase 2


(Homo sapiens (Human))		BDBM50299614
PNG
((S)-N'-cyano-2-methyl-4-(5-methyl-7H-pyrrolo[2,3-d...)
Show SMILES C[C@H]1CN(CCN1C(NC#N)=Nc1cccc(c1)C(F)(F)F)c1ncnc2[nH]cc(C)c12
Show InChI InChI=1S/C21H21F3N8/c1-13-9-26-18-17(13)19(29-12-28-18)31-6-7-32(14(2)10-31)20(27-11-25)30-16-5-3-4-15(8-16)21(22,23)24/h3-5,8-9,12,14H,6-7,10H2,1-2H3,(H,27,30)(H,26,28,29)/t14-/m0/s1
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Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LIMK2 expressed in baculovirus-Sf9 system by scintillation counting

J Med Chem 52: 6515-8 (2009)


Article DOI: 10.1021/jm901226j
BindingDB Entry DOI: 10.7270/Q2HH6K4J
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))		BDBM5666
PNG
(2-amino-5-thio-substituted thiazole 40 | 3-(5-{[(5...)
Show SMILES CC(C)(C)c1cnc(CSc2cnc(NC(=O)Nc3c(F)cccc3F)s2)o1
Show InChI InChI=1S/C18H18F2N4O2S2/c1-18(2,3)12-7-21-13(26-12)9-27-14-8-22-17(28-14)24-16(25)23-15-10(19)5-4-6-11(15)20/h4-8H,9H2,1-3H3,(H2,22,23,24,25)
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n/an/a 2n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
 The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...

J Med Chem 45: 3905-27 (2002)


Article DOI: 10.1021/jm0201520
BindingDB Entry DOI: 10.7270/Q2GT5KC3
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1 (SGLT1)


(Homo sapiens (Human))		BDBM176724
PNG
(US9688710, 146 (3R,4R,5S,6R)-2-(3-(4-(3-((3-(dimet...)
Show SMILES CS[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(C)c(Cc2ccc(OCCCNCC(C)(C)CN(C)C)cc2)c1
Show InChI InChI=1S/C30H46N2O5S/c1-20-8-11-22(28-26(34)25(33)27(35)29(37-28)38-6)17-23(20)16-21-9-12-24(13-10-21)36-15-7-14-31-18-30(2,3)19-32(4)5/h8-13,17,25-29,31,33-35H,7,14-16,18-19H2,1-6H3/t25-,26-,27+,28+,29-/m1/s1
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Lexicon Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human HA-tagged SGLT1 expressed in HEK293 cells assessed as decrease in [14C]-AMG uptake measured after 1 to 2 hrs by scintillation cou...

J Med Chem 60: 710-721 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01541
BindingDB Entry DOI: 10.7270/Q2C24ZQ7
More data for this
Ligand-Target Pair
LIM domain kinase 2


(Homo sapiens (Human))		BDBM50044010
PNG
(CHEMBL3356426)
Show SMILES CN(C)C(=O)Oc1cccc(NC(=O)C2(CC=C)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1
Show InChI InChI=1S/C25H30N6O3/c1-5-9-25(23(32)29-18-7-6-8-19(14-18)34-24(33)30(3)4)10-12-31(13-11-25)22-20-17(2)15-26-21(20)27-16-28-22/h5-8,14-16H,1,9-13H2,2-4H3,(H,29,32)(H,26,27,28)
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n/an/a 2.20n/an/an/an/an/an/a



Lexicon Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human full-length LIMK2 assessed as incorporation of P33 from ATP into biotinylated-cofilin substrate by scintillation counting analysi...

ACS Med Chem Lett 6: 84-8 (2015)


Article DOI: 10.1021/ml500367g
BindingDB Entry DOI: 10.7270/Q218384X
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1 (SGLT1)


(Homo sapiens (Human))		BDBM176714
PNG
(US9688710, 136 N-(1-((2-(dimethylamino)ethyl)amino...)
Show SMILES CS[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(C)c(Cc2ccc(CCCC(=O)NC(C)(C)C(=O)NCCN(C)C)cc2)c1
Show InChI InChI=1S/C32H47N3O6S/c1-20-10-15-23(29-27(38)26(37)28(39)30(41-29)42-6)19-24(20)18-22-13-11-21(12-14-22)8-7-9-25(36)34-32(2,3)31(40)33-16-17-35(4)5/h10-15,19,26-30,37-39H,7-9,16-18H2,1-6H3,(H,33,40)(H,34,36)/t26-,27-,28+,29+,30-/m1/s1
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Lexicon Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human HA-tagged SGLT1 expressed in HEK293 cells assessed as decrease in [14C]-AMG uptake measured after 1 to 2 hrs by scintillation cou...

J Med Chem 60: 710-721 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01541
BindingDB Entry DOI: 10.7270/Q2C24ZQ7
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1 (SGLT1)


(Homo sapiens (Human))		BDBM176544
PNG
(US9688710, 104 2,2-dimethyl-3-((4-(4-(2-methyl-5-(...)
Show SMILES CS[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(C)c(Cc2ccc(CCCCNCC(C)(C)C(N)=O)cc2)c1
Show InChI InChI=1S/C29H42N2O5S/c1-18-8-13-21(26-24(33)23(32)25(34)27(36-26)37-4)16-22(18)15-20-11-9-19(10-12-20)7-5-6-14-31-17-29(2,3)28(30)35/h8-13,16,23-27,31-34H,5-7,14-15,17H2,1-4H3,(H2,30,35)/t23-,24-,25+,26+,27-/m1/s1
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Lexicon Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human HA-tagged SGLT1 expressed in HEK293 cells assessed as decrease in [14C]-AMG uptake measured after 1 to 2 hrs by scintillation cou...

J Med Chem 60: 710-721 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01541
BindingDB Entry DOI: 10.7270/Q2C24ZQ7
More data for this
Ligand-Target Pair
LIM domain kinase 2


(Homo sapiens (Human))		BDBM50299612
PNG
((S)-N-(3-chlorophenyl)-2-methyl-4-(5-methyl-7H-pyr...)
Show SMILES C[C@H]1CN(CCN1C(=O)Nc1cccc(Cl)c1)c1ncnc2[nH]cc(C)c12
Show InChI InChI=1S/C19H21ClN6O/c1-12-9-21-17-16(12)18(23-11-22-17)25-6-7-26(13(2)10-25)19(27)24-15-5-3-4-14(20)8-15/h3-5,8-9,11,13H,6-7,10H2,1-2H3,(H,24,27)(H,21,22,23)/t13-/m0/s1
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Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LIMK2 expressed in baculovirus-Sf9 system by scintillation counting

J Med Chem 52: 6515-8 (2009)


Article DOI: 10.1021/jm901226j
BindingDB Entry DOI: 10.7270/Q2HH6K4J
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1 (SGLT1)


(Homo sapiens (Human))		BDBM50235018
PNG
(CHEMBL4072070)
Show SMILES CS[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cc2ccc(OCCCC(=O)NC(C)(C)CO)cc2)c1
Show InChI InChI=1S/C27H36ClNO7S/c1-27(2,15-30)29-21(31)5-4-12-35-19-9-6-16(7-10-19)13-18-14-17(8-11-20(18)28)25-23(33)22(32)24(34)26(36-25)37-3/h6-11,14,22-26,30,32-34H,4-5,12-13,15H2,1-3H3,(H,29,31)/t22-,23-,24+,25+,26-/m1/s1
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Lexicon Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human HA-tagged SGLT1 expressed in HEK293 cells assessed as decrease in [14C]-AMG uptake measured after 1 to 2 hrs by scintillation cou...

J Med Chem 60: 710-721 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01541
BindingDB Entry DOI: 10.7270/Q2C24ZQ7
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))		BDBM176697
PNG
(US9688710, 120 N-(2-methyl-1-(4-methylpiperidin-1-...)
Show SMILES CS[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(C)c(Cc2ccc(CCCC(=O)NC(C)(C)C(=O)N3CCC(C)CC3)cc2)c1
Show InChI InChI=1S/C34H48N2O6S/c1-21-15-17-36(18-16-21)33(41)34(3,4)35-27(37)8-6-7-23-10-12-24(13-11-23)19-26-20-25(14-9-22(26)2)31-29(39)28(38)30(40)32(42-31)43-5/h9-14,20-21,28-32,38-40H,6-8,15-19H2,1-5H3,(H,35,37)/t28-,29-,30+,31+,32-/m1/s1
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Lexicon Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human HA-tagged SGLT2 expressed in HEK293 cells assessed as decrease in [14C]-AMG uptake measured after 1 to 2 hrs by scintillation cou...

J Med Chem 60: 710-721 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01541
BindingDB Entry DOI: 10.7270/Q2C24ZQ7
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))		BDBM176712
PNG
(US9688710, 135 (3R,4R,5S,6R)-2-(3-(4-(3-((1-hydrox...)
Show SMILES CS[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(C)c(Cc2ccc(OCCCNC(C)(C)CO)cc2)c1
Show InChI InChI=1S/C27H39NO6S/c1-17-6-9-19(25-23(31)22(30)24(32)26(34-25)35-4)15-20(17)14-18-7-10-21(11-8-18)33-13-5-12-28-27(2,3)16-29/h6-11,15,22-26,28-32H,5,12-14,16H2,1-4H3/t22-,23-,24+,25+,26-/m1/s1
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Lexicon Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human HA-tagged SGLT2 expressed in HEK293 cells assessed as decrease in [14C]-AMG uptake measured after 1 to 2 hrs by scintillation cou...

J Med Chem 60: 710-721 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01541
BindingDB Entry DOI: 10.7270/Q2C24ZQ7
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))		BDBM176701
PNG
(US9688710, 124 4-(4-(2-methyl-5-((2S,3R,4R,5S,6R)-...)
Show SMILES CS[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(C)c(Cc2ccc(CCCC(=O)NCC(=O)N3CCN(C)CC3)cc2)c1
Show InChI InChI=1S/C31H43N3O6S/c1-20-7-12-23(30-28(38)27(37)29(39)31(40-30)41-3)18-24(20)17-22-10-8-21(9-11-22)5-4-6-25(35)32-19-26(36)34-15-13-33(2)14-16-34/h7-12,18,27-31,37-39H,4-6,13-17,19H2,1-3H3,(H,32,35)/t27-,28-,29+,30+,31-/m1/s1
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Lexicon Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human HA-tagged SGLT2 expressed in HEK293 cells assessed as decrease in [14C]-AMG uptake measured after 1 to 2 hrs by scintillation cou...

J Med Chem 60: 710-721 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01541
BindingDB Entry DOI: 10.7270/Q2C24ZQ7
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))		BDBM176693
PNG
(US9688710, 116 4-(4-(2-methyl-5-((2S,3R,4R,5S,6R)-...)
Show SMILES CS[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(C)c(Cc2ccc(CCCC(=O)NC3(CC3)C(=O)N3CCN(C)CC3)cc2)c1
Show InChI InChI=1S/C33H45N3O6S/c1-21-7-12-24(30-28(39)27(38)29(40)31(42-30)43-3)20-25(21)19-23-10-8-22(9-11-23)5-4-6-26(37)34-33(13-14-33)32(41)36-17-15-35(2)16-18-36/h7-12,20,27-31,38-40H,4-6,13-19H2,1-3H3,(H,34,37)/t27-,28-,29+,30+,31-/m1/s1
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Lexicon Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human HA-tagged SGLT2 expressed in HEK293 cells assessed as decrease in [14C]-AMG uptake measured after 1 to 2 hrs by scintillation cou...

J Med Chem 60: 710-721 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01541
BindingDB Entry DOI: 10.7270/Q2C24ZQ7
More data for this
Ligand-Target Pair
LIM domain kinase 2


(Homo sapiens (Human))		BDBM50044003
PNG
(CHEMBL3356430)
Show SMILES COCCOCC1(CCN(CC1)c1ncnc2[nH]cc(C)c12)C(=O)Nc1cccc(OC(=O)N(C)C)c1
Show InChI InChI=1S/C26H34N6O5/c1-18-15-27-22-21(18)23(29-17-28-22)32-10-8-26(9-11-32,16-36-13-12-35-4)24(33)30-19-6-5-7-20(14-19)37-25(34)31(2)3/h5-7,14-15,17H,8-13,16H2,1-4H3,(H,30,33)(H,27,28,29)
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Lexicon Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human full-length LIMK2 assessed as incorporation of P33 from ATP into biotinylated-cofilin substrate by scintillation counting analysi...

ACS Med Chem Lett 6: 84-8 (2015)


Article DOI: 10.1021/ml500367g
BindingDB Entry DOI: 10.7270/Q218384X
More data for this
Ligand-Target Pair
LIM domain kinase 2


(Homo sapiens (Human))		BDBM50044087
PNG
(CHEMBL3356063)
Show SMILES COc1cccc(NC(=O)N2CCN(C[C@@H]2C)c2ncnc3[nH]cc(C)c23)c1
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Lexicon Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human full-length LIMK2 assessed as incorporation of P33 from ATP into biotinylated-cofilin substrate by scintillation counting analysi...

ACS Med Chem Lett 6: 84-8 (2015)


Article DOI: 10.1021/ml500367g
BindingDB Entry DOI: 10.7270/Q218384X
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))		BDBM176714
PNG
(US9688710, 136 N-(1-((2-(dimethylamino)ethyl)amino...)
Show SMILES CS[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(C)c(Cc2ccc(CCCC(=O)NC(C)(C)C(=O)NCCN(C)C)cc2)c1
Show InChI InChI=1S/C32H47N3O6S/c1-20-10-15-23(29-27(38)26(37)28(39)30(41-29)42-6)19-24(20)18-22-13-11-21(12-14-22)8-7-9-25(36)34-32(2,3)31(40)33-16-17-35(4)5/h10-15,19,26-30,37-39H,7-9,16-18H2,1-6H3,(H,33,40)(H,34,36)/t26-,27-,28+,29+,30-/m1/s1
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Lexicon Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human HA-tagged SGLT2 expressed in HEK293 cells assessed as decrease in [14C]-AMG uptake measured after 1 to 2 hrs by scintillation cou...

J Med Chem 60: 710-721 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01541
BindingDB Entry DOI: 10.7270/Q2C24ZQ7
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1 (SGLT1)


(Homo sapiens (Human))		BDBM176725
PNG
(US9688710, 147 N-(2-methyl-1-((1-methylpiperidin-4...)
Show SMILES CS[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(C)c(Cc2ccc(CCCC(=O)NC(C)(C)C(=O)NC3CCN(C)CC3)cc2)c1
Show InChI InChI=1S/C34H49N3O6S/c1-21-9-14-24(31-29(40)28(39)30(41)32(43-31)44-5)20-25(21)19-23-12-10-22(11-13-23)7-6-8-27(38)36-34(2,3)33(42)35-26-15-17-37(4)18-16-26/h9-14,20,26,28-32,39-41H,6-8,15-19H2,1-5H3,(H,35,42)(H,36,38)/t28-,29-,30+,31+,32-/m1/s1
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Lexicon Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human HA-tagged SGLT1 expressed in HEK293 cells assessed as decrease in [14C]-AMG uptake measured after 1 to 2 hrs by scintillation cou...

J Med Chem 60: 710-721 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01541
BindingDB Entry DOI: 10.7270/Q2C24ZQ7
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1 (SGLT1)


(Homo sapiens (Human))		BDBM176446
PNG
(US9688710, 45 N-(2-methyl-1-(4-methylpiperazin-1-y...)
Show SMILES CS[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(C)c(Cc2ccc(OCCCC(=O)NC(C)(C)C(=O)N3CCN(C)CC3)cc2)c1
Show InChI InChI=1S/C33H47N3O7S/c1-21-8-11-23(30-28(39)27(38)29(40)31(43-30)44-5)20-24(21)19-22-9-12-25(13-10-22)42-18-6-7-26(37)34-33(2,3)32(41)36-16-14-35(4)15-17-36/h8-13,20,27-31,38-40H,6-7,14-19H2,1-5H3,(H,34,37)/t27-,28-,29+,30+,31-/m1/s1
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Lexicon Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human HA-tagged SGLT1 expressed in HEK293 cells assessed as decrease in [14C]-AMG uptake measured after 1 to 2 hrs by scintillation cou...

J Med Chem 60: 710-721 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01541
BindingDB Entry DOI: 10.7270/Q2C24ZQ7
More data for this
Ligand-Target Pair
LIM domain kinase 2


(Homo sapiens (Human))		BDBM50299624
PNG
((S)-N'-cyano-N-(3-(N-(2-hydroxyethyl)sulfamoyl)phe...)
Show SMILES C[C@H]1CN(CCN1C(NC#N)=Nc1cccc(c1)S(=O)(=O)NCCO)c1ncnc2[nH]cc(C)c12
Show InChI InChI=1S/C22H27N9O3S/c1-15-11-24-20-19(15)21(27-14-26-20)30-7-8-31(16(2)12-30)22(25-13-23)29-17-4-3-5-18(10-17)35(33,34)28-6-9-32/h3-5,10-11,14,16,28,32H,6-9,12H2,1-2H3,(H,25,29)(H,24,26,27)/t16-/m0/s1
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Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LIMK2 expressed in baculovirus-Sf9 system by scintillation counting

J Med Chem 52: 6515-8 (2009)


Article DOI: 10.1021/jm901226j
BindingDB Entry DOI: 10.7270/Q2HH6K4J
More data for this
Ligand-Target Pair
LIM domain kinase 2


(Homo sapiens (Human))		BDBM50299620
PNG
((S)-N-(3-(2-hydroxyethylcarbamoyl)phenyl)-2-methyl...)
Show SMILES C[C@H]1CN(CCN1C(=O)Nc1cccc(c1)C(=O)NCCO)c1ncnc2[nH]cc(C)c12
Show InChI InChI=1S/C22H27N7O3/c1-14-11-24-19-18(14)20(26-13-25-19)28-7-8-29(15(2)12-28)22(32)27-17-5-3-4-16(10-17)21(31)23-6-9-30/h3-5,10-11,13,15,30H,6-9,12H2,1-2H3,(H,23,31)(H,27,32)(H,24,25,26)/t15-/m0/s1
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Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LIMK2 expressed in baculovirus-Sf9 system by scintillation counting

J Med Chem 52: 6515-8 (2009)


Article DOI: 10.1021/jm901226j
BindingDB Entry DOI: 10.7270/Q2HH6K4J
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))		BDBM5708
PNG
(2-amino-5-thio-substituted thiazole 76 | N-(5-{[(2...)
Show SMILES CC(C)(C)c1ncc(CSc2cnc(NC(=O)Cc3ccccc3)s2)o1
Show InChI InChI=1S/C19H21N3O2S2/c1-19(2,3)17-20-10-14(24-17)12-25-16-11-21-18(26-16)22-15(23)9-13-7-5-4-6-8-13/h4-8,10-11H,9,12H2,1-3H3,(H,21,22,23)
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Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
 The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...

J Med Chem 45: 3905-27 (2002)


Article DOI: 10.1021/jm0201520
BindingDB Entry DOI: 10.7270/Q2GT5KC3
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))		BDBM5668
PNG
(2-amino-5-thio-substituted thiazole 45 | BMS-38703...)
Show SMILES CC(C)(C)c1cnc(CSc2cnc(NC(=O)Cc3ccc(CNC(CO)CO)cc3)s2)o1
Show InChI InChI=1S/C23H30N4O4S2/c1-23(2,3)18-10-25-20(31-18)14-32-21-11-26-22(33-21)27-19(30)8-15-4-6-16(7-5-15)9-24-17(12-28)13-29/h4-7,10-11,17,24,28-29H,8-9,12-14H2,1-3H3,(H,26,27,30)
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Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...

J Med Chem 45: 3905-27 (2002)


Article DOI: 10.1021/jm0201520
BindingDB Entry DOI: 10.7270/Q2GT5KC3
More data for this
Ligand-Target Pair
LIM domain kinase 2


(Homo sapiens (Human))		BDBM50043510
PNG
(CHEMBL3355507)
Show SMILES CCN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C22H22N2O3S/c1-2-24(17-18-9-5-3-6-10-18)22(25)19-13-15-21(16-14-19)28(26,27)23-20-11-7-4-8-12-20/h3-16,23H,2,17H2,1H3
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Lexicon Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human full-length LIMK2 expressed in Sf9 cells assessed as incorporation of [33P] from ATP into biotinylated-cofilin substrate in prese...

ACS Med Chem Lett 6: 53-7 (2015)


Article DOI: 10.1021/ml500242y
BindingDB Entry DOI: 10.7270/Q2SQ9207
More data for this
Ligand-Target Pair
LIM domain kinase 2


(Homo sapiens (Human))		BDBM50299621
PNG
((S)-N-(3-(1,3-dihydroxypropan-2-ylcarbamoyl)phenyl...)
Show SMILES C[C@H]1CN(CCN1C(=O)Nc1cccc(c1)C(=O)NC(CO)CO)c1ncnc2[nH]cc(C)c12
Show InChI InChI=1S/C23H29N7O4/c1-14-9-24-20-19(14)21(26-13-25-20)29-6-7-30(15(2)10-29)23(34)28-17-5-3-4-16(8-17)22(33)27-18(11-31)12-32/h3-5,8-9,13,15,18,31-32H,6-7,10-12H2,1-2H3,(H,27,33)(H,28,34)(H,24,25,26)/t15-/m0/s1
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Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LIMK2 expressed in baculovirus-Sf9 system by scintillation counting

J Med Chem 52: 6515-8 (2009)


Article DOI: 10.1021/jm901226j
BindingDB Entry DOI: 10.7270/Q2HH6K4J
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))		BDBM5668
PNG
(2-amino-5-thio-substituted thiazole 45 | BMS-38703...)
Show SMILES CC(C)(C)c1cnc(CSc2cnc(NC(=O)Cc3ccc(CNC(CO)CO)cc3)s2)o1
Show InChI InChI=1S/C23H30N4O4S2/c1-23(2,3)18-10-25-20(31-18)14-32-21-11-26-22(33-21)27-19(30)8-15-4-6-16(7-5-15)9-24-17(12-28)13-29/h4-7,10-11,17,24,28-29H,8-9,12-14H2,1-3H3,(H,26,27,30)
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Bristol-Myers Squibb Co.



Assay Description
 The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...

J Med Chem 47: 1719-28 (2004)


Article DOI: 10.1021/jm0305568
BindingDB Entry DOI: 10.7270/Q26971SZ
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))		BDBM5667
PNG
(2-amino-5-thio-substituted thiazole 41 | 3-(5-{[(5...)
Show SMILES CC(C)(C)c1cnc(CSc2cnc(NC(=O)Nc3c(Cl)cccc3Cl)s2)o1
Show InChI InChI=1S/C18H18Cl2N4O2S2/c1-18(2,3)12-7-21-13(26-12)9-27-14-8-22-17(28-14)24-16(25)23-15-10(19)5-4-6-11(15)20/h4-8H,9H2,1-3H3,(H2,22,23,24,25)
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Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...

J Med Chem 45: 3905-27 (2002)


Article DOI: 10.1021/jm0201520
BindingDB Entry DOI: 10.7270/Q2GT5KC3
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))		BDBM5924
PNG
(BMS-387032 analog 14 | N-(5-{[(5-tert-butyl-1,3-ox...)
Show SMILES CC(C)(C)c1cnc(CSc2cnc(NC(=O)Cc3ccccc3)s2)o1
Show InChI InChI=1S/C19H21N3O2S2/c1-19(2,3)14-10-20-16(24-14)12-25-17-11-21-18(26-17)22-15(23)9-13-7-5-4-6-8-13/h4-8,10-11H,9,12H2,1-3H3,(H,21,22,23)
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Bristol-Myers Squibb Co.



Assay Description
The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...

J Med Chem 47: 1719-28 (2004)


Article DOI: 10.1021/jm0305568
BindingDB Entry DOI: 10.7270/Q26971SZ
More data for this
Ligand-Target Pair
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