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Compile Data Set for Download or QSAR

Found 214 hits with Last Name = 'hung' and Initial = 'cy'   
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
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50327390
PNG
(5-(6-(2-chlorophenyl)-2-(pyridin-2-yl)pyrimidin-4-...)
Show SMILES CC(C)Nc1ncc(s1)-c1cc(nc(n1)-c1ccccn1)-c1ccccc1Cl
Show InChI InChI=1S/C21H18ClN5S/c1-13(2)25-21-24-12-19(28-21)18-11-17(14-7-3-4-8-15(14)22)26-20(27-18)16-9-5-6-10-23-16/h3-13H,1-2H3,(H,24,25)
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n/an/a 4n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MAPK p38alpha


Bioorg Med Chem Lett 22: 5995-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.002
BindingDB Entry DOI: 10.7270/Q2K075CJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50186457
PNG
(1-(4-(5-(2-(4,6-dimethylpyridin-2-ylamino)thiazol-...)
Show SMILES COc1cc(C)c(Sc2cnc(Nc3cc(C)cc(C)n3)s2)cc1C(=O)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C25H29N5O3S2/c1-15-10-17(3)27-22(11-15)28-25-26-14-23(35-25)34-21-13-19(20(33-5)12-16(21)2)24(32)30-8-6-29(7-9-30)18(4)31/h10-14H,6-9H2,1-5H3,(H,26,27,28)
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n/an/a 6n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Itk


Bioorg Med Chem Lett 16: 3706-12 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.060
BindingDB Entry DOI: 10.7270/Q20C4VBR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50186487
PNG
(CHEMBL209881 | N-(5-(4-methoxy-2-methyl-5-(morphol...)
Show SMILES CNCc1ccc([nH]1)C(=O)Nc1ncc(Sc2cc(C(=O)N3CCOCC3)c(OC)cc2C)s1
Show InChI InChI=1S/C23H27N5O4S2/c1-14-10-18(31-3)16(22(30)28-6-8-32-9-7-28)11-19(14)33-20-13-25-23(34-20)27-21(29)17-5-4-15(26-17)12-24-2/h4-5,10-11,13,24,26H,6-9,12H2,1-3H3,(H,25,27,29)
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n/an/a 7n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Itk


Bioorg Med Chem Lett 16: 3706-12 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.060
BindingDB Entry DOI: 10.7270/Q20C4VBR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50186484
PNG
(1-(4-(5-(2-(4,6-dimethylpyridin-2-ylamino)thiazol-...)
Show SMILES CC(=O)N1CCN(CC1)C(=O)c1cc(Sc2cnc(Nc3cc(C)cc(C)n3)s2)ccc1O
Show InChI InChI=1S/C23H25N5O3S2/c1-14-10-15(2)25-20(11-14)26-23-24-13-21(33-23)32-17-4-5-19(30)18(12-17)22(31)28-8-6-27(7-9-28)16(3)29/h4-5,10-13,30H,6-9H2,1-3H3,(H,24,25,26)
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n/an/a 7n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Itk


Bioorg Med Chem Lett 16: 3706-12 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.060
BindingDB Entry DOI: 10.7270/Q20C4VBR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50186478
PNG
(1-(4-(5-(2-(6-bromopyridin-2-ylamino)thiazol-5-ylt...)
Show SMILES CC(=O)N1CCN(CC1)C(=O)c1cc(Sc2cnc(Nc3cccc(Br)n3)s2)ccc1O
Show InChI InChI=1S/C21H20BrN5O3S2/c1-13(28)26-7-9-27(10-8-26)20(30)15-11-14(5-6-16(15)29)31-19-12-23-21(32-19)25-18-4-2-3-17(22)24-18/h2-6,11-12,29H,7-10H2,1H3,(H,23,24,25)
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n/an/a 7n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Itk


Bioorg Med Chem Lett 16: 3706-12 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.060
BindingDB Entry DOI: 10.7270/Q20C4VBR
More data for this
Ligand-Target Pair
LIM domain kinase 2


(Homo sapiens (Human))
BDBM50390795
PNG
(CHEMBL2070619)
Show SMILES COc1cc(Cl)c(c(Cl)c1)-c1cc(nc(n1)-c1cnccn1)-c1cnc(NC(C)=O)s1
Show InChI InChI=1S/C20H14Cl2N6O2S/c1-10(29)26-20-25-9-17(31-20)14-7-15(18-12(21)5-11(30-2)6-13(18)22)28-19(27-14)16-8-23-3-4-24-16/h3-9H,1-2H3,(H,25,26,29)
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n/an/a 8n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of LIMK2


Bioorg Med Chem Lett 22: 5995-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.002
BindingDB Entry DOI: 10.7270/Q2K075CJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50186459
PNG
(CHEMBL211842 | N-(5-(5-(1-acetylpiperazine-4-carbo...)
Show SMILES COc1cc(C)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C22H26N4O4S2/c1-13-10-17(30-3)16(21(29)26-8-6-25(7-9-26)14(2)27)11-18(13)31-19-12-23-22(32-19)24-20(28)15-4-5-15/h10-12,15H,4-9H2,1-3H3,(H,23,24,28)
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n/an/a 9n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Itk


Bioorg Med Chem Lett 16: 3706-12 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.060
BindingDB Entry DOI: 10.7270/Q20C4VBR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50186456
PNG
(CHEMBL211355 | N-(5-(5-(1-acetylpiperazine-4-carbo...)
Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1ncc(Sc2cc(C(=O)N3CCN(CC3)C(C)=O)c(O)cc2C)s1
Show InChI InChI=1S/C26H29N5O4S2/c1-16-13-21(33)20(25(35)31-11-9-30(10-12-31)17(2)32)14-22(16)36-23-15-27-26(37-23)28-24(34)18-5-7-19(8-6-18)29(3)4/h5-8,13-15,33H,9-12H2,1-4H3,(H,27,28,34)
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n/an/a 12n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Itk


Bioorg Med Chem Lett 16: 3706-12 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.060
BindingDB Entry DOI: 10.7270/Q20C4VBR
More data for this
Ligand-Target Pair
LIM domain kinase 2


(Homo sapiens (Human))
BDBM50390794
PNG
(CHEMBL2070618)
Show SMILES CNC(=O)Nc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1c(Cl)cc(OC)cc1Cl
Show InChI InChI=1S/C20H15Cl2N7O2S/c1-23-19(30)29-20-26-9-16(32-20)13-7-14(17-11(21)5-10(31-2)6-12(17)22)28-18(27-13)15-8-24-3-4-25-15/h3-9H,1-2H3,(H2,23,26,29,30)
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n/an/a 12n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of LIMK2


Bioorg Med Chem Lett 22: 5995-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.002
BindingDB Entry DOI: 10.7270/Q2K075CJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50186461
PNG
(CHEMBL209163 | N-(5-(5-(1-acetylpiperazine-4-carbo...)
Show SMILES COc1cc(C)c(Sc2cnc(NC(=O)c3ccc[nH]3)s2)cc1C(=O)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C23H25N5O4S2/c1-14-11-18(32-3)16(22(31)28-9-7-27(8-10-28)15(2)29)12-19(14)33-20-13-25-23(34-20)26-21(30)17-5-4-6-24-17/h4-6,11-13,24H,7-10H2,1-3H3,(H,25,26,30)
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n/an/a 14n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Itk


Bioorg Med Chem Lett 16: 3706-12 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.060
BindingDB Entry DOI: 10.7270/Q20C4VBR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50186474
PNG
(1-(5-(2-(6-bromopyridin-2-ylamino)thiazol-5-ylthio...)
Show SMILES OC(=O)C1CCN(CC1)C(=O)c1cc(Sc2cnc(Nc3cccc(Br)n3)s2)ccc1O
Show InChI InChI=1S/C21H19BrN4O4S2/c22-16-2-1-3-17(24-16)25-21-23-11-18(32-21)31-13-4-5-15(27)14(10-13)19(28)26-8-6-12(7-9-26)20(29)30/h1-5,10-12,27H,6-9H2,(H,29,30)(H,23,24,25)
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n/an/a 15n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Itk


Bioorg Med Chem Lett 16: 3706-12 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.060
BindingDB Entry DOI: 10.7270/Q20C4VBR
More data for this
Ligand-Target Pair
LIM domain kinase 2


(Homo sapiens (Human))
BDBM50390790
PNG
(CHEMBL2070614)
Show SMILES CNC(=O)Nc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1c(C)cc(OC)cc1C
Show InChI InChI=1S/C22H21N7O2S/c1-12-7-14(31-4)8-13(2)19(12)16-9-15(18-11-26-22(32-18)29-21(30)23-3)27-20(28-16)17-10-24-5-6-25-17/h5-11H,1-4H3,(H2,23,26,29,30)
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n/an/a 16n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of LIMK2


Bioorg Med Chem Lett 22: 5995-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.002
BindingDB Entry DOI: 10.7270/Q2K075CJ
More data for this
Ligand-Target Pair
LIM domain kinase 2


(Homo sapiens (Human))
BDBM50390779
PNG
(CHEMBL2070497)
Show SMILES CCCNc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1c(Cl)cc(OC)cc1Cl
Show InChI InChI=1S/C21H18Cl2N6OS/c1-3-4-26-21-27-11-18(31-21)15-9-16(19-13(22)7-12(30-2)8-14(19)23)29-20(28-15)17-10-24-5-6-25-17/h5-11H,3-4H2,1-2H3,(H,26,27)
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n/an/a 16n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of LIMK2


Bioorg Med Chem Lett 22: 5995-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.002
BindingDB Entry DOI: 10.7270/Q2K075CJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50186480
PNG
(CHEMBL379114 | N-(5-(5-(1-acetylpiperazine-4-carbo...)
Show SMILES COc1cc(C)c(Sc2cnc(NC(=O)c3ccc(cc3)N(C)C)s2)cc1C(=O)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C27H31N5O4S2/c1-17-14-22(36-5)21(26(35)32-12-10-31(11-13-32)18(2)33)15-23(17)37-24-16-28-27(38-24)29-25(34)19-6-8-20(9-7-19)30(3)4/h6-9,14-16H,10-13H2,1-5H3,(H,28,29,34)
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n/an/a 18n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Itk


Bioorg Med Chem Lett 16: 3706-12 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.060
BindingDB Entry DOI: 10.7270/Q20C4VBR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50186460
PNG
(CHEMBL209148 | N-(5-(5-(1-acetylpiperazine-4-carbo...)
Show SMILES COc1cc(C)c(Sc2cnc(NC(=O)c3ccc(CNC(C)C(C)(C)C)cc3)s2)cc1C(=O)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C32H41N5O4S2/c1-20-16-26(41-7)25(30(40)37-14-12-36(13-15-37)22(3)38)17-27(20)42-28-19-34-31(43-28)35-29(39)24-10-8-23(9-11-24)18-33-21(2)32(4,5)6/h8-11,16-17,19,21,33H,12-15,18H2,1-7H3,(H,34,35,39)
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n/an/a 19n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Itk


Bioorg Med Chem Lett 16: 3706-12 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.060
BindingDB Entry DOI: 10.7270/Q20C4VBR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50186479
PNG
(CHEMBL208901 | N-(5-(5-(1-(2-(dimethylamino)acetyl...)
Show SMILES COc1cc(C)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1CCN(CC1)C(=O)CN(C)C
Show InChI InChI=1S/C24H31N5O4S2/c1-15-11-18(33-4)17(23(32)29-9-7-28(8-10-29)20(30)14-27(2)3)12-19(15)34-21-13-25-24(35-21)26-22(31)16-5-6-16/h11-13,16H,5-10,14H2,1-4H3,(H,25,26,31)
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n/an/a 19n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Itk


Bioorg Med Chem Lett 16: 3706-12 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.060
BindingDB Entry DOI: 10.7270/Q20C4VBR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50186470
PNG
(CHEMBL211291 | N-(5-(5-(1-acetylpiperazine-4-carbo...)
Show SMILES COCc1ccc(cc1)C(=O)Nc1ncc(Sc2cc(C(=O)N3CCN(CC3)C(C)=O)c(OC)cc2C)s1
Show InChI InChI=1S/C27H30N4O5S2/c1-17-13-22(36-4)21(26(34)31-11-9-30(10-12-31)18(2)32)14-23(17)37-24-15-28-27(38-24)29-25(33)20-7-5-19(6-8-20)16-35-3/h5-8,13-15H,9-12,16H2,1-4H3,(H,28,29,33)
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n/an/a 20n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Itk


Bioorg Med Chem Lett 16: 3706-12 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.060
BindingDB Entry DOI: 10.7270/Q20C4VBR
More data for this
Ligand-Target Pair
LIM domain kinase 1


(Homo sapiens (Human))
BDBM50390790
PNG
(CHEMBL2070614)
Show SMILES CNC(=O)Nc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1c(C)cc(OC)cc1C
Show InChI InChI=1S/C22H21N7O2S/c1-12-7-14(31-4)8-13(2)19(12)16-9-15(18-11-26-22(32-18)29-21(30)23-3)27-20(28-16)17-10-24-5-6-25-17/h5-11H,1-4H3,(H2,23,26,29,30)
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n/an/a 23n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of LIMK1


Bioorg Med Chem Lett 22: 5995-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.002
BindingDB Entry DOI: 10.7270/Q2K075CJ
More data for this
Ligand-Target Pair
LIM domain kinase 2


(Homo sapiens (Human))
BDBM50390785
PNG
(CHEMBL2070504)
Show SMILES CCCNc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1cc(OCCC2CCCCC2)ccc1Cl
Show InChI InChI=1S/C28H31ClN6OS/c1-2-11-32-28-33-18-26(37-28)24-16-23(34-27(35-24)25-17-30-12-13-31-25)21-15-20(8-9-22(21)29)36-14-10-19-6-4-3-5-7-19/h8-9,12-13,15-19H,2-7,10-11,14H2,1H3,(H,32,33)
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n/an/a 28n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of LIMK2


Bioorg Med Chem Lett 22: 5995-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.002
BindingDB Entry DOI: 10.7270/Q2K075CJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50186496
PNG
(CHEMBL210985 | N-(5-(5-(1-acetylpiperazine-4-carbo...)
Show SMILES CCNCc1ccc(cc1)C(=O)Nc1ncc(Sc2cc(C(=O)N3CCN(CC3)C(C)=O)c(OC)cc2C)s1
Show InChI InChI=1S/C28H33N5O4S2/c1-5-29-16-20-6-8-21(9-7-20)26(35)31-28-30-17-25(39-28)38-24-15-22(23(37-4)14-18(24)2)27(36)33-12-10-32(11-13-33)19(3)34/h6-9,14-15,17,29H,5,10-13,16H2,1-4H3,(H,30,31,35)
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n/an/a 29n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Itk


Bioorg Med Chem Lett 16: 3706-12 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.060
BindingDB Entry DOI: 10.7270/Q20C4VBR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50186472
PNG
(CHEMBL209004 | N-(5-(3-(1-acetylpiperazine-4-carbo...)
Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1ncc(Sc2ccc(O)c(c2)C(=O)N2CCN(CC2)C(C)=O)s1
Show InChI InChI=1S/C25H27N5O4S2/c1-16(31)29-10-12-30(13-11-29)24(34)20-14-19(8-9-21(20)32)35-22-15-26-25(36-22)27-23(33)17-4-6-18(7-5-17)28(2)3/h4-9,14-15,32H,10-13H2,1-3H3,(H,26,27,33)
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n/an/a 30n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Itk


Bioorg Med Chem Lett 16: 3706-12 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.060
BindingDB Entry DOI: 10.7270/Q20C4VBR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50186466
PNG
(1-(4-(2-hydroxy-5-(2-(pyridin-2-ylamino)thiazol-5-...)
Show SMILES CC(=O)N1CCN(CC1)C(=O)c1cc(Sc2cnc(Nc3ccccn3)s2)ccc1O
Show InChI InChI=1S/C21H21N5O3S2/c1-14(27)25-8-10-26(11-9-25)20(29)16-12-15(5-6-17(16)28)30-19-13-23-21(31-19)24-18-4-2-3-7-22-18/h2-7,12-13,28H,8-11H2,1H3,(H,22,23,24)
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n/an/a 30n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Itk


Bioorg Med Chem Lett 16: 3706-12 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.060
BindingDB Entry DOI: 10.7270/Q20C4VBR
More data for this
Ligand-Target Pair
LIM domain kinase 1


(Homo sapiens (Human))
BDBM50390795
PNG
(CHEMBL2070619)
Show SMILES COc1cc(Cl)c(c(Cl)c1)-c1cc(nc(n1)-c1cnccn1)-c1cnc(NC(C)=O)s1
Show InChI InChI=1S/C20H14Cl2N6O2S/c1-10(29)26-20-25-9-17(31-20)14-7-15(18-12(21)5-11(30-2)6-13(18)22)28-19(27-14)16-8-23-3-4-24-16/h3-9H,1-2H3,(H,25,26,29)
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n/an/a 30n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of LIMK1


Bioorg Med Chem Lett 22: 5995-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.002
BindingDB Entry DOI: 10.7270/Q2K075CJ
More data for this
Ligand-Target Pair
LIM domain kinase 1


(Homo sapiens (Human))
BDBM50390794
PNG
(CHEMBL2070618)
Show SMILES CNC(=O)Nc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1c(Cl)cc(OC)cc1Cl
Show InChI InChI=1S/C20H15Cl2N7O2S/c1-23-19(30)29-20-26-9-16(32-20)13-7-14(17-11(21)5-10(31-2)6-12(17)22)28-18(27-13)15-8-24-3-4-25-15/h3-9H,1-2H3,(H2,23,26,29,30)
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n/an/a 32n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of LIMK1


Bioorg Med Chem Lett 22: 5995-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.002
BindingDB Entry DOI: 10.7270/Q2K075CJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50186488
PNG
(1-(5-(2-(6-bromopyridin-2-ylamino)thiazol-5-ylthio...)
Show SMILES OC(=O)C1CCCN(C1)C(=O)c1cc(Sc2cnc(Nc3cccc(Br)n3)s2)ccc1O
Show InChI InChI=1S/C21H19BrN4O4S2/c22-16-4-1-5-17(24-16)25-21-23-10-18(32-21)31-13-6-7-15(27)14(9-13)19(28)26-8-2-3-12(11-26)20(29)30/h1,4-7,9-10,12,27H,2-3,8,11H2,(H,29,30)(H,23,24,25)
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n/an/a 34n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Itk


Bioorg Med Chem Lett 16: 3706-12 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.060
BindingDB Entry DOI: 10.7270/Q20C4VBR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50186467
PNG
(CHEMBL210528 | N-(5-(3-(1-acetylpiperazine-4-carbo...)
Show SMILES COc1ccc(Sc2cnc(NC(=O)c3ccc(cc3)N(C)C)s2)cc1C(=O)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C26H29N5O4S2/c1-17(32)30-11-13-31(14-12-30)25(34)21-15-20(9-10-22(21)35-4)36-23-16-27-26(37-23)28-24(33)18-5-7-19(8-6-18)29(2)3/h5-10,15-16H,11-14H2,1-4H3,(H,27,28,33)
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n/an/a 34n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Itk


Bioorg Med Chem Lett 16: 3706-12 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.060
BindingDB Entry DOI: 10.7270/Q20C4VBR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50182855
PNG
(CHEMBL381296 | N-(5-(3-(1-acetylpiperazine-4-carbo...)
Show SMILES CC(NCc1ccc([nH]1)C(=O)Nc1ncc(SCc2cc(C)c(C)c(c2)C(=O)N2CCN(CC2)C(C)=O)s1)C(C)(C)C
Show InChI InChI=1S/C31H42N6O3S2/c1-19-14-23(15-25(20(19)2)29(40)37-12-10-36(11-13-37)22(4)38)18-41-27-17-33-30(42-27)35-28(39)26-9-8-24(34-26)16-32-21(3)31(5,6)7/h8-9,14-15,17,21,32,34H,10-13,16,18H2,1-7H3,(H,33,35,39)
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n/an/a 35n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Itk


Bioorg Med Chem Lett 16: 2411-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.115
BindingDB Entry DOI: 10.7270/Q2Z60NNR
More data for this
Ligand-Target Pair
LIM domain kinase 1


(Homo sapiens (Human))
BDBM50390779
PNG
(CHEMBL2070497)
Show SMILES CCCNc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1c(Cl)cc(OC)cc1Cl
Show InChI InChI=1S/C21H18Cl2N6OS/c1-3-4-26-21-27-11-18(31-21)15-9-16(19-13(22)7-12(30-2)8-14(19)23)29-20(28-15)17-10-24-5-6-25-17/h5-11H,3-4H2,1-2H3,(H,26,27)
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n/an/a 38n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of LIMK1


Bioorg Med Chem Lett 22: 5995-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.002
BindingDB Entry DOI: 10.7270/Q2K075CJ
More data for this
Ligand-Target Pair
LIM domain kinase 2


(Homo sapiens (Human))
BDBM50390791
PNG
(CHEMBL2070615)
Show SMILES CCNC(=O)Nc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1c(C)cc(OC)cc1C
Show InChI InChI=1S/C23H23N7O2S/c1-5-25-22(31)30-23-27-12-19(33-23)16-10-17(20-13(2)8-15(32-4)9-14(20)3)29-21(28-16)18-11-24-6-7-26-18/h6-12H,5H2,1-4H3,(H2,25,27,30,31)
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n/an/a 38n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of LIMK2


Bioorg Med Chem Lett 22: 5995-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.002
BindingDB Entry DOI: 10.7270/Q2K075CJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50182863
PNG
(CHEMBL207329 | N-(5-(3-(1-acetylpiperazine-4-carbo...)
Show SMILES CC(=O)N1CCN(CC1)C(=O)c1cc(CSc2cnc(NC(=O)c3ccc(cc3)N3CCNCC3)s2)cc(C)c1C
Show InChI InChI=1S/C30H36N6O3S2/c1-20-16-23(17-26(21(20)2)29(39)36-14-12-34(13-15-36)22(3)37)19-40-27-18-32-30(41-27)33-28(38)24-4-6-25(7-5-24)35-10-8-31-9-11-35/h4-7,16-18,31H,8-15,19H2,1-3H3,(H,32,33,38)
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n/an/a 40n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Itk


Bioorg Med Chem Lett 16: 2411-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.115
BindingDB Entry DOI: 10.7270/Q2Z60NNR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50186477
PNG
(CHEMBL380058 | N-(5-(5-(1-acetylpiperazine-4-carbo...)
Show SMILES COc1cc(C)c(Sc2cnc(NC(=O)c3ccc(OC(C)C)cc3)s2)cc1C(=O)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C28H32N4O5S2/c1-17(2)37-21-8-6-20(7-9-21)26(34)30-28-29-16-25(39-28)38-24-15-22(23(36-5)14-18(24)3)27(35)32-12-10-31(11-13-32)19(4)33/h6-9,14-17H,10-13H2,1-5H3,(H,29,30,34)
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n/an/a 47n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Itk


Bioorg Med Chem Lett 16: 3706-12 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.060
BindingDB Entry DOI: 10.7270/Q20C4VBR
More data for this
Ligand-Target Pair
LIM domain kinase 1


(Homo sapiens (Human))
BDBM50390791
PNG
(CHEMBL2070615)
Show SMILES CCNC(=O)Nc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1c(C)cc(OC)cc1C
Show InChI InChI=1S/C23H23N7O2S/c1-5-25-22(31)30-23-27-12-19(33-23)16-10-17(20-13(2)8-15(32-4)9-14(20)3)29-21(28-16)18-11-24-6-7-26-18/h6-12H,5H2,1-4H3,(H2,25,27,30,31)
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n/an/a 58n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of LIMK1


Bioorg Med Chem Lett 22: 5995-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.002
BindingDB Entry DOI: 10.7270/Q2K075CJ
More data for this
Ligand-Target Pair
LIM domain kinase 2


(Homo sapiens (Human))
BDBM50390792
PNG
(CHEMBL2070616)
Show SMILES COc1cc(C)c(c(C)c1)-c1cc(nc(n1)-c1cnccn1)-c1cnc(NC(C)=O)s1
Show InChI InChI=1S/C22H20N6O2S/c1-12-7-15(30-4)8-13(2)20(12)17-9-16(19-11-25-22(31-19)26-14(3)29)27-21(28-17)18-10-23-5-6-24-18/h5-11H,1-4H3,(H,25,26,29)
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n/an/a 59n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of LIMK2


Bioorg Med Chem Lett 22: 5995-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.002
BindingDB Entry DOI: 10.7270/Q2K075CJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50186468
PNG
(CHEMBL206905 | N-(5-(5-(1-acetylpiperazine-4-carbo...)
Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1ncc(Sc2cc(C(=O)N3CCN(CC3)C(C)=O)c(C)cc2C)s1
Show InChI InChI=1S/C27H31N5O3S2/c1-17-14-18(2)23(15-22(17)26(35)32-12-10-31(11-13-32)19(3)33)36-24-16-28-27(37-24)29-25(34)20-6-8-21(9-7-20)30(4)5/h6-9,14-16H,10-13H2,1-5H3,(H,28,29,34)
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n/an/a 60n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Itk


Bioorg Med Chem Lett 16: 3706-12 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.060
BindingDB Entry DOI: 10.7270/Q20C4VBR
More data for this
Ligand-Target Pair
LIM domain kinase 1


(Homo sapiens (Human))
BDBM50390787
PNG
(CHEMBL2070611)
Show SMILES CCC(CC)Oc1cc(C)c(c(C)c1)-c1cc(nc(n1)-c1cnccn1)-c1cnc(NC(C)=O)s1
Show InChI InChI=1S/C26H28N6O2S/c1-6-18(7-2)34-19-10-15(3)24(16(4)11-19)21-12-20(23-14-29-26(35-23)30-17(5)33)31-25(32-21)22-13-27-8-9-28-22/h8-14,18H,6-7H2,1-5H3,(H,29,30,33)
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n/an/a 64n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of LIMK1


Bioorg Med Chem Lett 22: 5995-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.002
BindingDB Entry DOI: 10.7270/Q2K075CJ
More data for this
Ligand-Target Pair
LIM domain kinase 1


(Homo sapiens (Human))
BDBM50390789
PNG
(CHEMBL2070613)
Show SMILES CCC(CC)Oc1cc(C)c(c(C)c1)-c1cc(nc(n1)-c1cnccn1)-c1cnc(NC(=O)NC)s1
Show InChI InChI=1S/C26H29N7O2S/c1-6-17(7-2)35-18-10-15(3)23(16(4)11-18)20-12-19(22-14-30-26(36-22)33-25(34)27-5)31-24(32-20)21-13-28-8-9-29-21/h8-14,17H,6-7H2,1-5H3,(H2,27,30,33,34)
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n/an/a 66n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of LIMK1


Bioorg Med Chem Lett 22: 5995-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.002
BindingDB Entry DOI: 10.7270/Q2K075CJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50186486
PNG
(1-(5-(2-(6-bromopyridin-2-ylamino)thiazol-5-ylthio...)
Show SMILES CS(=O)(=O)NC(=O)C1CCCN(C1)C(=O)c1cc(Sc2cnc(Nc3cccc(Br)n3)s2)ccc1O
Show InChI InChI=1S/C22H22BrN5O5S3/c1-36(32,33)27-20(30)13-4-3-9-28(12-13)21(31)15-10-14(7-8-16(15)29)34-19-11-24-22(35-19)26-18-6-2-5-17(23)25-18/h2,5-8,10-11,13,29H,3-4,9,12H2,1H3,(H,27,30)(H,24,25,26)
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n/an/a 83n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Itk


Bioorg Med Chem Lett 16: 3706-12 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.060
BindingDB Entry DOI: 10.7270/Q20C4VBR
More data for this
Ligand-Target Pair
LIM domain kinase 1


(Homo sapiens (Human))
BDBM50390792
PNG
(CHEMBL2070616)
Show SMILES COc1cc(C)c(c(C)c1)-c1cc(nc(n1)-c1cnccn1)-c1cnc(NC(C)=O)s1
Show InChI InChI=1S/C22H20N6O2S/c1-12-7-15(30-4)8-13(2)20(12)17-9-16(19-11-25-22(31-19)26-14(3)29)27-21(28-17)18-10-23-5-6-24-18/h5-11H,1-4H3,(H,25,26,29)
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n/an/a 87n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of LIMK1


Bioorg Med Chem Lett 22: 5995-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.002
BindingDB Entry DOI: 10.7270/Q2K075CJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50186495
PNG
(CHEMBL210243 | N-(5-(3-(1-acetylpiperazine-4-carbo...)
Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1ncc(Sc2ccc(N)c(c2)C(=O)N2CCN(CC2)C(C)=O)s1
Show InChI InChI=1S/C25H28N6O3S2/c1-16(32)30-10-12-31(13-11-30)24(34)20-14-19(8-9-21(20)26)35-22-15-27-25(36-22)28-23(33)17-4-6-18(7-5-17)29(2)3/h4-9,14-15H,10-13,26H2,1-3H3,(H,27,28,33)
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n/an/a 90n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Itk


Bioorg Med Chem Lett 16: 3706-12 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.060
BindingDB Entry DOI: 10.7270/Q20C4VBR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50182833
PNG
(CHEMBL382362 | N-(5-(3-(1-acetylpiperazine-4-carbo...)
Show SMILES CC(NCc1ccc(cc1)C(=O)Nc1ncc(SCc2cc(C)c(C)c(c2)C(=O)N2CCN(CC2)C(C)=O)s1)C(C)(C)C
Show InChI InChI=1S/C33H43N5O3S2/c1-21-16-26(17-28(22(21)2)31(41)38-14-12-37(13-15-38)24(4)39)20-42-29-19-35-32(43-29)36-30(40)27-10-8-25(9-11-27)18-34-23(3)33(5,6)7/h8-11,16-17,19,23,34H,12-15,18,20H2,1-7H3,(H,35,36,40)
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n/an/a 90n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Itk


Bioorg Med Chem Lett 16: 2411-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.115
BindingDB Entry DOI: 10.7270/Q2Z60NNR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50182833
PNG
(CHEMBL382362 | N-(5-(3-(1-acetylpiperazine-4-carbo...)
Show SMILES CC(NCc1ccc(cc1)C(=O)Nc1ncc(SCc2cc(C)c(C)c(c2)C(=O)N2CCN(CC2)C(C)=O)s1)C(C)(C)C
Show InChI InChI=1S/C33H43N5O3S2/c1-21-16-26(17-28(22(21)2)31(41)38-14-12-37(13-15-38)24(4)39)20-42-29-19-35-32(43-29)36-30(40)27-10-8-25(9-11-27)18-34-23(3)33(5,6)7/h8-11,16-17,19,23,34H,12-15,18,20H2,1-7H3,(H,35,36,40)
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n/an/a 96n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Itk


Bioorg Med Chem Lett 16: 3706-12 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.060
BindingDB Entry DOI: 10.7270/Q20C4VBR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50182825
PNG
(CHEMBL383129 | N-(5-(3-(1-acetylpiperazine-4-carbo...)
Show SMILES CC(C)C(CO)NCc1ccc(cc1)C(=O)Nc1ncc(SCc2cc(C)c(C)c(c2)C(=O)N2CCN(CC2)C(C)=O)s1
Show InChI InChI=1S/C32H41N5O4S2/c1-20(2)28(18-38)33-16-24-6-8-26(9-7-24)30(40)35-32-34-17-29(43-32)42-19-25-14-21(3)22(4)27(15-25)31(41)37-12-10-36(11-13-37)23(5)39/h6-9,14-15,17,20,28,33,38H,10-13,16,18-19H2,1-5H3,(H,34,35,40)
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n/an/a 96n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Itk


Bioorg Med Chem Lett 16: 2411-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.115
BindingDB Entry DOI: 10.7270/Q2Z60NNR
More data for this
Ligand-Target Pair
LIM domain kinase 1


(Homo sapiens (Human))
BDBM50390780
PNG
(CHEMBL2070498)
Show SMILES CCCNc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1c(Cl)cc(OCCC)cc1Cl
Show InChI InChI=1S/C23H22Cl2N6OS/c1-3-5-28-23-29-13-20(33-23)17-11-18(31-22(30-17)19-12-26-6-7-27-19)21-15(24)9-14(10-16(21)25)32-8-4-2/h6-7,9-13H,3-5,8H2,1-2H3,(H,28,29)
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n/an/a 115n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of LIMK1


Bioorg Med Chem Lett 22: 5995-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.002
BindingDB Entry DOI: 10.7270/Q2K075CJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50182846
PNG
(CHEMBL208255 | N-(5-(3-(1-acetylpiperazine-4-carbo...)
Show SMILES CC(=O)N1CCN(CC1)C(=O)c1cc(CSc2cnc(NC(=O)c3ccc[nH]3)s2)cc(C)c1C
Show InChI InChI=1S/C24H27N5O3S2/c1-15-11-18(12-19(16(15)2)23(32)29-9-7-28(8-10-29)17(3)30)14-33-21-13-26-24(34-21)27-22(31)20-5-4-6-25-20/h4-6,11-13,25H,7-10,14H2,1-3H3,(H,26,27,31)
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n/an/a 140n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Itk


Bioorg Med Chem Lett 16: 2411-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.115
BindingDB Entry DOI: 10.7270/Q2Z60NNR
More data for this
Ligand-Target Pair
LIM domain kinase 2


(Homo sapiens (Human))
BDBM50390780
PNG
(CHEMBL2070498)
Show SMILES CCCNc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1c(Cl)cc(OCCC)cc1Cl
Show InChI InChI=1S/C23H22Cl2N6OS/c1-3-5-28-23-29-13-20(33-23)17-11-18(31-22(30-17)19-12-26-6-7-27-19)21-15(24)9-14(10-16(21)25)32-8-4-2/h6-7,9-13H,3-5,8H2,1-2H3,(H,28,29)
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n/an/a 141n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of LIMK2


Bioorg Med Chem Lett 22: 5995-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.002
BindingDB Entry DOI: 10.7270/Q2K075CJ
More data for this
Ligand-Target Pair
LIM domain kinase 1


(Homo sapiens (Human))
BDBM50390785
PNG
(CHEMBL2070504)
Show SMILES CCCNc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1cc(OCCC2CCCCC2)ccc1Cl
Show InChI InChI=1S/C28H31ClN6OS/c1-2-11-32-28-33-18-26(37-28)24-16-23(34-27(35-24)25-17-30-12-13-31-25)21-15-20(8-9-22(21)29)36-14-10-19-6-4-3-5-7-19/h8-9,12-13,15-19H,2-7,10-11,14H2,1H3,(H,32,33)
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n/an/a 145n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of LIMK1


Bioorg Med Chem Lett 22: 5995-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.002
BindingDB Entry DOI: 10.7270/Q2K075CJ
More data for this
Ligand-Target Pair
LIM domain kinase 1


(Homo sapiens (Human))
BDBM50390782
PNG
(CHEMBL2070500)
Show SMILES CCCNc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1c(Cl)cc(OC(CC)CC)cc1Cl
Show InChI InChI=1S/C25H26Cl2N6OS/c1-4-7-30-25-31-14-22(35-25)19-12-20(33-24(32-19)21-13-28-8-9-29-21)23-17(26)10-16(11-18(23)27)34-15(5-2)6-3/h8-15H,4-7H2,1-3H3,(H,30,31)
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n/an/a 163n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of LIMK1


Bioorg Med Chem Lett 22: 5995-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.002
BindingDB Entry DOI: 10.7270/Q2K075CJ
More data for this
Ligand-Target Pair
LIM domain kinase 2


(Homo sapiens (Human))
BDBM50390784
PNG
(CHEMBL2070503)
Show SMILES CCCNc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1cc(OCCC)ccc1Cl
Show InChI InChI=1S/C23H23ClN6OS/c1-3-7-27-23-28-14-21(32-23)19-12-18(29-22(30-19)20-13-25-8-9-26-20)16-11-15(31-10-4-2)5-6-17(16)24/h5-6,8-9,11-14H,3-4,7,10H2,1-2H3,(H,27,28)
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n/an/a 171n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of LIMK2


Bioorg Med Chem Lett 22: 5995-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.002
BindingDB Entry DOI: 10.7270/Q2K075CJ
More data for this
Ligand-Target Pair
LIM domain kinase 1


(Homo sapiens (Human))
BDBM50390788
PNG
(CHEMBL2070612)
Show SMILES CCC(CC)Oc1cc(C)c(c(C)c1)-c1cc(nc(n1)-c1cnccn1)-c1cnc(NC(=O)C(C)C)s1
Show InChI InChI=1S/C28H32N6O2S/c1-7-19(8-2)36-20-11-17(5)25(18(6)12-20)22-13-21(32-26(33-22)23-14-29-9-10-30-23)24-15-31-28(37-24)34-27(35)16(3)4/h9-16,19H,7-8H2,1-6H3,(H,31,34,35)
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n/an/a 172n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of LIMK1


Bioorg Med Chem Lett 22: 5995-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.002
BindingDB Entry DOI: 10.7270/Q2K075CJ
More data for this
Ligand-Target Pair
LIM domain kinase 2


(Homo sapiens (Human))
BDBM50390789
PNG
(CHEMBL2070613)
Show SMILES CCC(CC)Oc1cc(C)c(c(C)c1)-c1cc(nc(n1)-c1cnccn1)-c1cnc(NC(=O)NC)s1
Show InChI InChI=1S/C26H29N7O2S/c1-6-17(7-2)35-18-10-15(3)23(16(4)11-18)20-12-19(22-14-30-26(36-22)33-25(34)27-5)31-24(32-20)21-13-28-8-9-29-21/h8-14,17H,6-7H2,1-5H3,(H2,27,30,33,34)
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n/an/a 173n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of LIMK2


Bioorg Med Chem Lett 22: 5995-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.002
BindingDB Entry DOI: 10.7270/Q2K075CJ
More data for this
Ligand-Target Pair
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