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PubMed code 25589936

Compile data set for download or QSAR
Found 36 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
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

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 |r|
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n/an/a 1.20n/an/an/an/an/an/a



Lexicon Pharmaceuticals

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))		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 |r|
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 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))		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

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))		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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Lexicon Pharmaceuticals

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))		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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n/an/a 2.70n/an/an/an/an/an/a



Lexicon Pharmaceuticals

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 |r|
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n/an/a 2.70n/an/an/an/an/an/a



Lexicon Pharmaceuticals

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))		BDBM50044011
PNG
(CHEMBL3356425)
Show SMILES Cc1c[nH]c2ncnc(N3CCC(C)(CC3)C(=O)Nc3cccc(c3)C(C)(C)C)c12
Show InChI InChI=1S/C24H31N5O/c1-16-14-25-20-19(16)21(27-15-26-20)29-11-9-24(5,10-12-29)22(30)28-18-8-6-7-17(13-18)23(2,3)4/h6-8,13-15H,9-12H2,1-5H3,(H,28,30)(H,25,26,27)
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n/an/a 3.20n/an/an/an/an/an/a



Lexicon Pharmaceuticals

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))		BDBM50044004
PNG
(CHEMBL3356433)
Show SMILES CN(C)C(=O)Oc1cccc(NC(=O)C2(CN)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1
Show InChI InChI=1S/C23H29N7O3/c1-15-12-25-19-18(15)20(27-14-26-19)30-9-7-23(13-24,8-10-30)21(31)28-16-5-4-6-17(11-16)33-22(32)29(2)3/h4-6,11-12,14H,7-10,13,24H2,1-3H3,(H,28,31)(H,25,26,27)
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n/an/a 4.30n/an/an/an/an/an/a



Lexicon Pharmaceuticals

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))		BDBM50044009
PNG
(CHEMBL3356427)
Show SMILES CN(C)C(=O)Oc1cccc(NC(=O)C2(C)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1
Show InChI InChI=1S/C23H28N6O3/c1-15-13-24-19-18(15)20(26-14-25-19)29-10-8-23(2,9-11-29)21(30)27-16-6-5-7-17(12-16)32-22(31)28(3)4/h5-7,12-14H,8-11H2,1-4H3,(H,27,30)(H,24,25,26)
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Lexicon Pharmaceuticals

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))		BDBM50044007
PNG
(CHEMBL3356429)
Show SMILES CN(C)C(=O)Oc1cccc(NC(=O)C2(CCN(CC2)c2ncnc3[nH]cc(C)c23)N(C)C)c1
Show InChI InChI=1S/C24H31N7O3/c1-16-14-25-20-19(16)21(27-15-26-20)31-11-9-24(10-12-31,30(4)5)22(32)28-17-7-6-8-18(13-17)34-23(33)29(2)3/h6-8,13-15H,9-12H2,1-5H3,(H,28,32)(H,25,26,27)
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Lexicon Pharmaceuticals

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))		BDBM50299618
PNG
((S)-N-(3-(isopropylcarbamoyl)phenyl)-2-methyl-4-(5...)
Show SMILES CC(C)NC(=O)c1cccc(NC(=O)N2CCN(C[C@@H]2C)c2ncnc3[nH]cc(C)c23)c1 |r|
Show InChI InChI=1S/C23H29N7O2/c1-14(2)27-22(31)17-6-5-7-18(10-17)28-23(32)30-9-8-29(12-16(30)4)21-19-15(3)11-24-20(19)25-13-26-21/h5-7,10-11,13-14,16H,8-9,12H2,1-4H3,(H,27,31)(H,28,32)(H,24,25,26)/t16-/m0/s1
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n/an/a 5.5n/an/an/an/an/an/a



Lexicon Pharmaceuticals

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))		BDBM50044005
PNG
(CHEMBL3356432)
Show SMILES CN(C)CCC1(CCN(CC1)c1ncnc2[nH]cc(C)c12)C(=O)Nc1cccc(OC(=O)N(C)C)c1
Show InChI InChI=1S/C26H35N7O3/c1-18-16-27-22-21(18)23(29-17-28-22)33-13-10-26(11-14-33,9-12-31(2)3)24(34)30-19-7-6-8-20(15-19)36-25(35)32(4)5/h6-8,15-17H,9-14H2,1-5H3,(H,30,34)(H,27,28,29)
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n/an/a 7.30n/an/an/an/an/an/a



Lexicon Pharmaceuticals

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))		BDBM50044004
PNG
(CHEMBL3356433)
Show SMILES CN(C)C(=O)Oc1cccc(NC(=O)C2(CN)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1
Show InChI InChI=1S/C23H29N7O3/c1-15-12-25-19-18(15)20(27-14-26-19)30-9-7-23(13-24,8-10-30)21(31)28-16-5-4-6-17(11-16)33-22(32)29(2)3/h4-6,11-12,14H,7-10,13,24H2,1-3H3,(H,28,31)(H,25,26,27)
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n/an/a 7.5n/an/an/an/an/an/a



Lexicon Pharmaceuticals

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))		BDBM50044083
PNG
(CHEMBL3352853)
Show SMILES C[C@H](NC(=O)N1CCN(C[C@@H]1C)c1ncnc2[nH]cc(C)c12)c1ccccc1 |r|
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n/an/a 9.90n/an/an/an/an/an/a



Lexicon Pharmaceuticals

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))		BDBM50044017
PNG
(CHEMBL3356419)
Show SMILES CN(C)C(=O)Oc1cccc(NC(=O)N2CCN(CC2C(C)(C)C)c2ncnc3[nH]cc(C)c23)c1
Show InChI InChI=1S/C25H33N7O3/c1-16-13-26-21-20(16)22(28-15-27-21)31-10-11-32(19(14-31)25(2,3)4)23(33)29-17-8-7-9-18(12-17)35-24(34)30(5)6/h7-9,12-13,15,19H,10-11,14H2,1-6H3,(H,29,33)(H,26,27,28)
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Lexicon Pharmaceuticals

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 1


(Homo sapiens (Human))		BDBM50044004
PNG
(CHEMBL3356433)
Show SMILES CN(C)C(=O)Oc1cccc(NC(=O)C2(CN)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1
Show InChI InChI=1S/C23H29N7O3/c1-15-12-25-19-18(15)20(27-14-26-19)30-9-7-23(13-24,8-10-30)21(31)28-16-5-4-6-17(11-16)33-22(32)29(2)3/h4-6,11-12,14H,7-10,13,24H2,1-3H3,(H,28,31)(H,25,26,27)
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n/an/a 32n/an/an/an/an/an/a



Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human LIMK1 assessed as incorporation of P33 from ATP into biotinylated-cofilin substrate by scintillation counting analysis in presenc...

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
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM50044004
PNG
(CHEMBL3356433)
Show SMILES CN(C)C(=O)Oc1cccc(NC(=O)C2(CN)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1
Show InChI InChI=1S/C23H29N7O3/c1-15-12-25-19-18(15)20(27-14-26-19)30-9-7-23(13-24,8-10-30)21(31)28-16-5-4-6-17(11-16)33-22(32)29(2)3/h4-6,11-12,14H,7-10,13,24H2,1-3H3,(H,28,31)(H,25,26,27)
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n/an/a 32n/an/an/an/an/an/a



Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human Rock2 assessed as incorporation of P33 from ATP into biotinylated-cofilin substrate by scintillation counting analysis in presenc...

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 1


(Homo sapiens (Human))		BDBM50044004
PNG
(CHEMBL3356433)
Show SMILES CN(C)C(=O)Oc1cccc(NC(=O)C2(CN)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1
Show InChI InChI=1S/C23H29N7O3/c1-15-12-25-19-18(15)20(27-14-26-19)30-9-7-23(13-24,8-10-30)21(31)28-16-5-4-6-17(11-16)33-22(32)29(2)3/h4-6,11-12,14H,7-10,13,24H2,1-3H3,(H,28,31)(H,25,26,27)
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n/an/a 54n/an/an/an/an/an/a



Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human LIMK1 assessed as incorporation of P33 from ATP into biotinylated-cofilin substrate by scintillation counting analysis in presenc...

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
Rho-associated protein kinase 1


(Homo sapiens (Human))		BDBM50044004
PNG
(CHEMBL3356433)
Show SMILES CN(C)C(=O)Oc1cccc(NC(=O)C2(CN)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1
Show InChI InChI=1S/C23H29N7O3/c1-15-12-25-19-18(15)20(27-14-26-19)30-9-7-23(13-24,8-10-30)21(31)28-16-5-4-6-17(11-16)33-22(32)29(2)3/h4-6,11-12,14H,7-10,13,24H2,1-3H3,(H,28,31)(H,25,26,27)
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n/an/a 69n/an/an/an/an/an/a



Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human Rock1 assessed as incorporation of P33 from ATP into biotinylated-cofilin substrate by scintillation counting analysis in presenc...

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))		BDBM50044013
PNG
(CHEMBL3356423)
Show SMILES C[C@@H]1CN(CC[C@@H]1C(=O)Nc1cccc(OC(=O)N(C)C)c1)c1ncnc2[nH]cc(C)c12 |r|
Show InChI InChI=1S/C23H28N6O3/c1-14-11-24-20-19(14)21(26-13-25-20)29-9-8-18(15(2)12-29)22(30)27-16-6-5-7-17(10-16)32-23(31)28(3)4/h5-7,10-11,13,15,18H,8-9,12H2,1-4H3,(H,27,30)(H,24,25,26)/t15-,18+/m1/s1
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Lexicon Pharmaceuticals

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 1


(Homo sapiens (Human))		BDBM50044005
PNG
(CHEMBL3356432)
Show SMILES CN(C)CCC1(CCN(CC1)c1ncnc2[nH]cc(C)c12)C(=O)Nc1cccc(OC(=O)N(C)C)c1
Show InChI InChI=1S/C26H35N7O3/c1-18-16-27-22-21(18)23(29-17-28-22)33-13-10-26(11-14-33,9-12-31(2)3)24(34)30-19-7-6-8-20(15-19)36-25(35)32(4)5/h6-8,15-17H,9-14H2,1-5H3,(H,30,34)(H,27,28,29)
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n/an/a 134n/an/an/an/an/an/a



Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human LIMK1 assessed as incorporation of P33 from ATP into biotinylated-cofilin substrate by scintillation counting analysis in presenc...

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))		BDBM50044008
PNG
(CHEMBL3356428)
Show SMILES CN(C)C(=O)Oc1cccc(NC(=O)C2(O)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1
Show InChI InChI=1S/C22H26N6O4/c1-14-12-23-18-17(14)19(25-13-24-18)28-9-7-22(31,8-10-28)20(29)26-15-5-4-6-16(11-15)32-21(30)27(2)3/h4-6,11-13,31H,7-10H2,1-3H3,(H,26,29)(H,23,24,25)
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Lexicon Pharmaceuticals

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
Rho-associated protein kinase 1


(Homo sapiens (Human))		BDBM50044005
PNG
(CHEMBL3356432)
Show SMILES CN(C)CCC1(CCN(CC1)c1ncnc2[nH]cc(C)c12)C(=O)Nc1cccc(OC(=O)N(C)C)c1
Show InChI InChI=1S/C26H35N7O3/c1-18-16-27-22-21(18)23(29-17-28-22)33-13-10-26(11-14-33,9-12-31(2)3)24(34)30-19-7-6-8-20(15-19)36-25(35)32(4)5/h6-8,15-17H,9-14H2,1-5H3,(H,30,34)(H,27,28,29)
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n/an/a 139n/an/an/an/an/an/a



Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human Rock1 assessed as incorporation of P33 from ATP into biotinylated-cofilin substrate by scintillation counting analysis in presenc...

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))		BDBM50044082
PNG
(CHEMBL3356066)
Show SMILES C[C@@H](NC(=O)N1CCN(C[C@@H]1C)c1ncnc2[nH]cc(C)c12)c1ccccc1 |r|
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Lexicon Pharmaceuticals

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))		BDBM50044014
PNG
(CHEMBL3356422)
Show SMILES C[C@H]1CN(CC[C@@H]1C(=O)Nc1cccc(OC(=O)N(C)C)c1)c1ncnc2[nH]cc(C)c12 |r|
Show InChI InChI=1S/C23H28N6O3/c1-14-11-24-20-19(14)21(26-13-25-20)29-9-8-18(15(2)12-29)22(30)27-16-6-5-7-17(10-16)32-23(31)28(3)4/h5-7,10-11,13,15,18H,8-9,12H2,1-4H3,(H,27,30)(H,24,25,26)/t15-,18-/m0/s1
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Lexicon Pharmaceuticals

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))		BDBM50044018
PNG
(CHEMBL3356068)
Show SMILES CN(C)C(=O)Oc1cccc(NC(=O)N2CCC(CC2)c2ncnc3[nH]cc(C)c23)c1
Show InChI InChI=1S/C22H26N6O3/c1-14-12-23-20-18(14)19(24-13-25-20)15-7-9-28(10-8-15)21(29)26-16-5-4-6-17(11-16)31-22(30)27(2)3/h4-6,11-13,15H,7-10H2,1-3H3,(H,26,29)(H,23,24,25)
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Lexicon Pharmaceuticals

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))		BDBM50044015
PNG
(CHEMBL3356421)
Show SMILES CC(C)Oc1cccc(NC(=O)C2CCN(CC2)c2ncnc3[nH]cc(C)c23)c1
Show InChI InChI=1S/C22H27N5O2/c1-14(2)29-18-6-4-5-17(11-18)26-22(28)16-7-9-27(10-8-16)21-19-15(3)12-23-20(19)24-13-25-21/h4-6,11-14,16H,7-10H2,1-3H3,(H,26,28)(H,23,24,25)
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Lexicon Pharmaceuticals

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
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM50044004
PNG
(CHEMBL3356433)
Show SMILES CN(C)C(=O)Oc1cccc(NC(=O)C2(CN)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1
Show InChI InChI=1S/C23H29N7O3/c1-15-12-25-19-18(15)20(27-14-26-19)30-9-7-23(13-24,8-10-30)21(31)28-16-5-4-6-17(11-16)33-22(32)29(2)3/h4-6,11-12,14H,7-10,13,24H2,1-3H3,(H,28,31)(H,25,26,27)
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Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human Rock2 assessed as incorporation of P33 from ATP into biotinylated-cofilin substrate by scintillation counting analysis in presenc...

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
Rho-associated protein kinase 1


(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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Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human Rock1 assessed as incorporation of P33 from ATP into biotinylated-cofilin substrate by scintillation counting analysis in presenc...

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))		BDBM50044085
PNG
(CHEMBL3356065)
Show SMILES C[C@H]1CN(CCN1C(=O)Cc1ccccc1)c1ncnc2[nH]cc(C)c12 |r|
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Lexicon Pharmaceuticals

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))		BDBM50044016
PNG
(CHEMBL3356420)
Show SMILES Cc1c[nH]c2ncnc(N3CCN4C(CN(C4=O)c4ccccc4)C3)c12
Show InChI InChI=1S/C19H20N6O/c1-13-9-20-17-16(13)18(22-12-21-17)23-7-8-24-15(10-23)11-25(19(24)26)14-5-3-2-4-6-14/h2-6,9,12,15H,7-8,10-11H2,1H3,(H,20,21,22)
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Lexicon Pharmaceuticals

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
Rho-associated protein kinase 1


(Homo sapiens (Human))		BDBM50044004
PNG
(CHEMBL3356433)
Show SMILES CN(C)C(=O)Oc1cccc(NC(=O)C2(CN)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1
Show InChI InChI=1S/C23H29N7O3/c1-15-12-25-19-18(15)20(27-14-26-19)30-9-7-23(13-24,8-10-30)21(31)28-16-5-4-6-17(11-16)33-22(32)29(2)3/h4-6,11-12,14H,7-10,13,24H2,1-3H3,(H,28,31)(H,25,26,27)
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n/an/a 2.20E+3n/an/an/an/an/an/a



Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human Rock1 assessed as incorporation of P33 from ATP into biotinylated-cofilin substrate by scintillation counting analysis in presenc...

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
Rho-associated protein kinase 1


(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

Curated by ChEMBL


Assay Description
Inhibition of human Rock1 assessed as incorporation of P33 from ATP into biotinylated-cofilin substrate by scintillation counting analysis in presenc...

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
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM50044004
PNG
(CHEMBL3356433)
Show SMILES CN(C)C(=O)Oc1cccc(NC(=O)C2(CN)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1
Show InChI InChI=1S/C23H29N7O3/c1-15-12-25-19-18(15)20(27-14-26-19)30-9-7-23(13-24,8-10-30)21(31)28-16-5-4-6-17(11-16)33-22(32)29(2)3/h4-6,11-12,14H,7-10,13,24H2,1-3H3,(H,28,31)(H,25,26,27)
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n/an/an/a<1.00E+3n/an/an/an/an/a



Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human Rock2

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))		BDBM50044004
PNG
(CHEMBL3356433)
Show SMILES CN(C)C(=O)Oc1cccc(NC(=O)C2(CN)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1
Show InChI InChI=1S/C23H29N7O3/c1-15-12-25-19-18(15)20(27-14-26-19)30-9-7-23(13-24,8-10-30)21(31)28-16-5-4-6-17(11-16)33-22(32)29(2)3/h4-6,11-12,14H,7-10,13,24H2,1-3H3,(H,28,31)(H,25,26,27)
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Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human LIMK2

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
* indicates data uncertainty>20%