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Compile Data Set for Download or QSAR

Found 54 hits Enz. Inhib. hit(s) with all data for entry = 50030648   
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)
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



Princ

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)
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



Princ

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)
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



Princ

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)
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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n/an/a 1.10n/an/an/an/an/an/a



Princ

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)
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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n/an/a 1.20n/an/an/an/an/an/a



Princ

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)
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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n/an/a 1.20n/an/an/an/an/an/a



Princ

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)
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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n/an/a 1.20n/an/an/an/an/an/a



Princ

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)
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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n/an/a 1.5n/an/an/an/an/an/a



Princ

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)
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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n/an/a 1.60n/an/an/an/an/an/a



Princ

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)
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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n/an/a 1.70n/an/an/an/an/an/a



Princ

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)
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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n/an/a 1.80n/an/an/an/an/an/a



Princ

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)
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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n/an/a 1.90n/an/an/an/an/an/a



Princ

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)
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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n/an/a 2.30n/an/an/an/an/an/a



Princ

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)
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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n/an/a 2.90n/an/an/an/an/an/a



Princ

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)
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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n/an/a 3n/an/an/an/an/an/a



Princ

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)
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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n/an/a 3n/an/an/an/an/an/a



Princ

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)
BDBM50299585
PNG
((S)-N-(3-bromo-4-fluorophenyl)-2-methyl-4-(5-methy...)
Show SMILES C[C@H]1CN(CCN1C(=O)Nc1ccc(F)c(Br)c1)c1ncnc2[nH]cc(C)c12
Show InChI InChI=1S/C19H20BrFN6O/c1-11-8-22-17-16(11)18(24-10-23-17)26-5-6-27(12(2)9-26)19(28)25-13-3-4-15(21)14(20)7-13/h3-4,7-8,10,12H,5-6,9H2,1-2H3,(H,25,28)(H,22,23,24)/t12-/m0/s1
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n/an/a 3.20n/an/an/an/an/an/a



Princ

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 1


(Homo sapiens)
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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n/an/a 3.20n/an/an/an/an/an/a



Princ

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)
BDBM50299622
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)NCCN(C)C)c1ncnc2[nH]cc(C)c12
Show InChI InChI=1S/C25H32N10O/c1-17-13-28-22-21(17)23(31-16-30-22)34-10-11-35(18(2)14-34)25(29-15-26)32-20-7-5-6-19(12-20)24(36)27-8-9-33(3)4/h5-7,12-13,16,18H,8-11,14H2,1-4H3,(H,27,36)(H,29,32)(H,28,30,31)/t18-/m0/s1
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n/an/a 3.40n/an/an/an/an/an/a



Princ

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)
BDBM50299617
PNG
((S)-3-(N'-cyano-2-methyl-4-(5-methyl-7H-pyrrolo[2,...)
Show SMILES CC(C)NC(=O)c1cccc(c1)N=C(NC#N)N1CCN(C[C@@H]1C)c1ncnc2[nH]cc(C)c12
Show InChI InChI=1S/C24H29N9O/c1-15(2)30-23(34)18-6-5-7-19(10-18)31-24(27-13-25)33-9-8-32(12-17(33)4)22-20-16(3)11-26-21(20)28-14-29-22/h5-7,10-11,14-15,17H,8-9,12H2,1-4H3,(H,27,31)(H,30,34)(H,26,28,29)/t17-/m0/s1
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n/an/a 3.5n/an/an/an/an/an/a



Princ

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 1


(Homo sapiens)
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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n/an/a 3.70n/an/an/an/an/an/a



Princ

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)
BDBM50299599
PNG
((S)-N-(3-bromophenyl)-2-methyl-4-(5-methyl-7H-pyrr...)
Show SMILES C[C@H]1CN(CCN1C(=O)Nc1cccc(Br)c1)c1ncnc2[nH]cc(C)c12
Show InChI InChI=1S/C19H21BrN6O/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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n/an/a 3.90n/an/an/an/an/an/a



Princ

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)
BDBM50299602
PNG
(CHEMBL570586 | Trans-N-(3-bromophenyl)-N'-cyano-2,...)
Show SMILES C[C@H]1CN([C@H](C)CN1C(NC#N)=Nc1cccc(Br)c1)c1ncnc2[nH]cc(C)c12
Show InChI InChI=1S/C21H23BrN8/c1-13-8-24-19-18(13)20(27-12-26-19)29-9-15(3)30(10-14(29)2)21(25-11-23)28-17-6-4-5-16(22)7-17/h4-8,12,14-15H,9-10H2,1-3H3,(H,25,28)(H,24,26,27)/t14-,15+/m1/s1
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n/an/a 3.90n/an/an/an/an/an/a



Princ

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)
BDBM50299601
PNG
((S)-N-(3-bromophenyl)-N'-cyano-2-isopropyl-4-(5-me...)
Show SMILES CC(C)[C@H]1CN(CCN1C(NC#N)=Nc1cccc(Br)c1)c1ncnc2[nH]cc(C)c12
Show InChI InChI=1S/C22H25BrN8/c1-14(2)18-11-30(21-19-15(3)10-25-20(19)27-13-28-21)7-8-31(18)22(26-12-24)29-17-6-4-5-16(23)9-17/h4-6,9-10,13-14,18H,7-8,11H2,1-3H3,(H,26,29)(H,25,27,28)/t18-/m1/s1
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n/an/a 4.20n/an/an/an/an/an/a



Princ

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)
BDBM50299608
PNG
((S)-N-(3-bromophenyl)-N'-cyano-2-methyl-4-(6-methy...)
Show SMILES C[C@H]1CN(CCN1C(NC#N)=Nc1cccc(Br)c1)c1ncnc2[nH]c(C)cc12
Show InChI InChI=1S/C20H21BrN8/c1-13-8-17-18(26-13)24-12-25-19(17)28-6-7-29(14(2)10-28)20(23-11-22)27-16-5-3-4-15(21)9-16/h3-5,8-9,12,14H,6-7,10H2,1-2H3,(H,23,27)(H,24,25,26)/t14-/m0/s1
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n/an/a 4.20n/an/an/an/an/an/a



Princ

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)
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
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



Princ

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 1


(Homo sapiens)
BDBM50299585
PNG
((S)-N-(3-bromo-4-fluorophenyl)-2-methyl-4-(5-methy...)
Show SMILES C[C@H]1CN(CCN1C(=O)Nc1ccc(F)c(Br)c1)c1ncnc2[nH]cc(C)c12
Show InChI InChI=1S/C19H20BrFN6O/c1-11-8-22-17-16(11)18(24-10-23-17)26-5-6-27(12(2)9-26)19(28)25-13-3-4-15(21)14(20)7-13/h3-4,7-8,10,12H,5-6,9H2,1-2H3,(H,25,28)(H,22,23,24)/t12-/m0/s1
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n/an/a 6.60n/an/an/an/an/an/a



Princ

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)
BDBM50299610
PNG
((S)-N-(3-bromophenyl)-2-methyl-4-(5-methyl-7H-pyrr...)
Show SMILES C[C@H]1CN(CCN1C(NS(C)(=O)=O)=Nc1cccc(Br)c1)c1ncnc2[nH]cc(C)c12
Show InChI InChI=1S/C20H24BrN7O2S/c1-13-10-22-18-17(13)19(24-12-23-18)27-7-8-28(14(2)11-27)20(26-31(3,29)30)25-16-6-4-5-15(21)9-16/h4-6,9-10,12,14H,7-8,11H2,1-3H3,(H,25,26)(H,22,23,24)/t14-/m0/s1
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n/an/a 6.80n/an/an/an/an/an/a



Princ

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)
BDBM50299606
PNG
((+/-)-N-(3-bromophenyl)-N'-cyano-2-methyl-4-(7H-py...)
Show SMILES CC1CN(CCN1C(NC#N)=Nc1cccc(Br)c1)c1ncnc2[nH]ccc12
Show InChI InChI=1S/C19H19BrN8/c1-13-10-27(18-16-5-6-22-17(16)24-12-25-18)7-8-28(13)19(23-11-21)26-15-4-2-3-14(20)9-15/h2-6,9,12-13H,7-8,10H2,1H3,(H,23,26)(H,22,24,25)
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n/an/a 8.10n/an/an/an/an/an/a



Princ

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)
BDBM50299598
PNG
(CHEMBL568484 | N-(3-bromophenyl)-N'-cyano-4-(5-met...)
Show SMILES Cc1c[nH]c2ncnc(N3CCN(CC3)C(NC#N)=Nc3cccc(Br)c3)c12
Show InChI InChI=1S/C19H19BrN8/c1-13-10-22-17-16(13)18(25-12-24-17)27-5-7-28(8-6-27)19(23-11-21)26-15-4-2-3-14(20)9-15/h2-4,9-10,12H,5-8H2,1H3,(H,23,26)(H,22,24,25)
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n/an/a 11n/an/an/an/an/an/a



Princ

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)
BDBM50299604
PNG
(CHEMBL584968 | N-(3-bromophenyl)-3-(5-methyl-7H-py...)
Show SMILES Cc1c[nH]c2ncnc(N3CC4CCC(C3)N4C(=O)Nc3cccc(Br)c3)c12
Show InChI InChI=1S/C20H21BrN6O/c1-12-8-22-18-17(12)19(24-11-23-18)26-9-15-5-6-16(10-26)27(15)20(28)25-14-4-2-3-13(21)7-14/h2-4,7-8,11,15-16H,5-6,9-10H2,1H3,(H,25,28)(H,22,23,24)
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n/an/a 16n/an/an/an/an/an/a



Princ

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)
BDBM50299600
PNG
((R)-N-(3-bromophenyl)-2-methyl-4-(5-methyl-7H-pyrr...)
Show SMILES C[C@@H]1CN(CCN1C(=O)Nc1cccc(Br)c1)c1ncnc2[nH]cc(C)c12
Show InChI InChI=1S/C19H21BrN6O/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-/m1/s1
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n/an/a 37n/an/an/an/an/an/a



Princ

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)
BDBM50299597
PNG
(CHEMBL571280 | N-(3-bromophenyl)-4-(5-methyl-7H-py...)
Show SMILES Cc1c[nH]c2ncnc(N3CCN(CC3)C(=O)Nc3cccc(Br)c3)c12
Show InChI InChI=1S/C18H19BrN6O/c1-12-10-20-16-15(12)17(22-11-21-16)24-5-7-25(8-6-24)18(26)23-14-4-2-3-13(19)9-14/h2-4,9-11H,5-8H2,1H3,(H,23,26)(H,20,21,22)
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n/an/a 38n/an/an/an/an/an/a



Princ

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
Rho-associated protein kinase 1


(Homo sapiens (human))
BDBM50299585
PNG
((S)-N-(3-bromo-4-fluorophenyl)-2-methyl-4-(5-methy...)
Show SMILES C[C@H]1CN(CCN1C(=O)Nc1ccc(F)c(Br)c1)c1ncnc2[nH]cc(C)c12
Show InChI InChI=1S/C19H20BrFN6O/c1-11-8-22-17-16(11)18(24-10-23-17)26-5-6-27(12(2)9-26)19(28)25-13-3-4-15(21)14(20)7-13/h3-4,7-8,10,12H,5-6,9H2,1-2H3,(H,25,28)(H,22,23,24)/t12-/m0/s1
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n/an/a 51n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human ROCK1 expressed in baculovirus system


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)
BDBM50299593
PNG
(1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3-...)
Show SMILES Cc1c[nH]c2ncnc(N3CCC(CC3)C(=O)Nc3cccc(Oc4ccccc4)c3)c12
Show InChI InChI=1S/C25H25N5O2/c1-17-15-26-23-22(17)24(28-16-27-23)30-12-10-18(11-13-30)25(31)29-19-6-5-9-21(14-19)32-20-7-3-2-4-8-20/h2-9,14-16,18H,10-13H2,1H3,(H,29,31)(H,26,27,28)
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n/an/a 64n/an/an/an/an/an/a



Princ

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)
BDBM50299605
PNG
(CHEMBL571261 | N-(3-bromophenyl)-N'-cyano-5-(5-met...)
Show SMILES Cc1c[nH]c2ncnc(N3CC4CC3CN4C(NC#N)=Nc3cccc(Br)c3)c12
Show InChI InChI=1S/C20H19BrN8/c1-12-7-23-18-17(12)19(26-11-25-18)28-8-16-6-15(28)9-29(16)20(24-10-22)27-14-4-2-3-13(21)5-14/h2-5,7,11,15-16H,6,8-9H2,1H3,(H,24,27)(H,23,25,26)
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n/an/a 76n/an/an/an/an/an/a



Princ

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)
BDBM50299595
PNG
(4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-m-t...)
Show SMILES Cc1c[nH]c2ncnc(N3CCN(CC3)C(=O)Nc3cccc(C)c3)c12
Show InChI InChI=1S/C19H22N6O/c1-13-4-3-5-15(10-13)23-19(26)25-8-6-24(7-9-25)18-16-14(2)11-20-17(16)21-12-22-18/h3-5,10-12H,6-9H2,1-2H3,(H,23,26)(H,20,21,22)
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n/an/a 92n/an/an/an/an/an/a



Princ

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)
BDBM50299603
PNG
(CHEMBL570819 | cis-N-(3-bromophenyl)-2,6-dimethyl-...)
Show SMILES C[C@H]1CN(C[C@@H](C)N1C(=O)Nc1cccc(Br)c1)c1ncnc2[nH]cc(C)c12
Show InChI InChI=1S/C20H23BrN6O/c1-12-8-22-18-17(12)19(24-11-23-18)26-9-13(2)27(14(3)10-26)20(28)25-16-6-4-5-15(21)7-16/h4-8,11,13-14H,9-10H2,1-3H3,(H,25,28)(H,22,23,24)/t13-,14+
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n/an/a 133n/an/an/an/an/an/a



Princ

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)
BDBM50299596
PNG
(CHEMBL568706 | N-(3-methoxyphenyl)-4-(5-methyl-7H-...)
Show SMILES COc1cccc(NC(=O)N2CCN(CC2)c2ncnc3[nH]cc(C)c23)c1
Show InChI InChI=1S/C19H22N6O2/c1-13-11-20-17-16(13)18(22-12-21-17)24-6-8-25(9-7-24)19(26)23-14-4-3-5-15(10-14)27-2/h3-5,10-12H,6-9H2,1-2H3,(H,23,26)(H,20,21,22)
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n/an/a 140n/an/an/an/an/an/a



Princ

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
Rho-associated protein 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 260n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human ROCK1 expressed in baculovirus system


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
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50299585
PNG
((S)-N-(3-bromo-4-fluorophenyl)-2-methyl-4-(5-methy...)
Show SMILES C[C@H]1CN(CCN1C(=O)Nc1ccc(F)c(Br)c1)c1ncnc2[nH]cc(C)c12
Show InChI InChI=1S/C19H20BrFN6O/c1-11-8-22-17-16(11)18(24-10-23-17)26-5-6-27(12(2)9-26)19(28)25-13-3-4-15(21)14(20)7-13/h3-4,7-8,10,12H,5-6,9H2,1-2H3,(H,25,28)(H,22,23,24)/t12-/m0/s1
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n/an/a 280n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human ROCK2


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)
BDBM50299594
PNG
(CHEMBL573004 | N-(3-bromophenyl)-1-(5-methyl-7H-py...)
Show SMILES Cc1c[nH]c2ncnc(N3CCC(CC3)C(=O)Nc3cccc(Br)c3)c12
Show InChI InChI=1S/C19H20BrN5O/c1-12-10-21-17-16(12)18(23-11-22-17)25-7-5-13(6-8-25)19(26)24-15-4-2-3-14(20)9-15/h2-4,9-11,13H,5-8H2,1H3,(H,24,26)(H,21,22,23)
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n/an/a 300n/an/an/an/an/an/a



Princ

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
Rho-associated protein kinase 1


(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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n/an/a 310n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human ROCK1 expressed in baculovirus system


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
Rho-associated protein kinase 1


(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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n/an/a 490n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human ROCK1 expressed in baculovirus system


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)
BDBM50299591
PNG
(CHEMBL576712 | N-(3-methoxyphenyl)-1-(5-methyl-7H-...)
Show SMILES COc1cccc(NC(=O)C2CCN(CC2)c2ncnc3[nH]cc(C)c23)c1
Show InChI InChI=1S/C20H23N5O2/c1-13-11-21-18-17(13)19(23-12-22-18)25-8-6-14(7-9-25)20(26)24-15-4-3-5-16(10-15)27-2/h3-5,10-12,14H,6-9H2,1-2H3,(H,24,26)(H,21,22,23)
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n/an/a 520n/an/an/an/an/an/a



Princ

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)
BDBM50299589
PNG
(1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-m-t...)
Show SMILES Cc1c[nH]c2ncnc(N3CCC(CC3)C(=O)Nc3cccc(C)c3)c12
Show InChI InChI=1S/C20H23N5O/c1-13-4-3-5-16(10-13)24-20(26)15-6-8-25(9-7-15)19-17-14(2)11-21-18(17)22-12-23-19/h3-5,10-12,15H,6-9H2,1-2H3,(H,24,26)(H,21,22,23)
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n/an/a 650n/an/an/an/an/an/a



Princ

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)
BDBM50299587
PNG
(1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-phe...)
Show SMILES Cc1c[nH]c2ncnc(N3CCC(CC3)C(=O)Nc3ccccc3)c12
Show InChI InChI=1S/C19H21N5O/c1-13-11-20-17-16(13)18(22-12-21-17)24-9-7-14(8-10-24)19(25)23-15-5-3-2-4-6-15/h2-6,11-12,14H,7-10H2,1H3,(H,23,25)(H,20,21,22)
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n/an/a 800n/an/an/an/an/an/a



Princ

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)
BDBM50299609
PNG
((S)-N-(3-bromophenyl)-4-(2-chloro-7H-pyrrolo[2,3-d...)
Show SMILES C[C@H]1CN(CCN1C(NC#N)=Nc1cccc(Br)c1)c1nc(Cl)nc2[nH]ccc12
Show InChI InChI=1S/C19H18BrClN8/c1-12-10-28(17-15-5-6-23-16(15)26-18(21)27-17)7-8-29(12)19(24-11-22)25-14-4-2-3-13(20)9-14/h2-6,9,12H,7-8,10H2,1H3,(H,24,25)(H,23,26,27)/t12-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Princ

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
Rho-associated protein 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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n/an/a 1.10E+3n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human ROCK2


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)
BDBM50299590
PNG
(1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-p-t...)
Show SMILES Cc1c[nH]c2ncnc(N3CCC(CC3)C(=O)Nc3ccc(C)cc3)c12
Show InChI InChI=1S/C20H23N5O/c1-13-3-5-16(6-4-13)24-20(26)15-7-9-25(10-8-15)19-17-14(2)11-21-18(17)22-12-23-19/h3-6,11-12,15H,7-10H2,1-2H3,(H,24,26)(H,21,22,23)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Princ

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
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