Found 389 hits of ic50 data for polymerid = 4516,50006834 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
LIM domain kinase 1
(Homo sapiens (Human)) | BDBM50124354
(CHEMBL3623439)Show InChI InChI=1S/C20H14ClN3OS/c21-18-4-2-1-3-15(18)17-11-22-10-9-16(17)19-12-23-20(26-19)24-13-5-7-14(25)8-6-13/h1-12,25H,(H,23,24) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Cancer Research Technology
Curated by ChEMBL
| Assay Description
Inhibition of recombinant N-terminal 6His-tagged LIMK1 (unknown origin) expressed in Sf21 cells by HTRF assay using cofilin as a substrate |
J Med Chem 58: 8309-13 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01242
BindingDB Entry DOI: 10.7270/Q27P917N |
More data for this
Ligand-Target Pair | |
LIM domain kinase 1
(Homo sapiens (Human)) | BDBM50611804
(CHEMBL5278261) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
LIM domain kinase 1
(Homo sapiens (Human)) | BDBM50299583
((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 |r,w:11.12| 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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/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 1
(Homo sapiens (Human)) | BDBM50611805
(CHEMBL5275331) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
LIM domain kinase 1
(Homo sapiens (Human)) | BDBM50124355
(CHEMBL3623442)Show SMILES CC(C)C(=O)Nc1ncc(s1)-c1ccncc1-c1ccc(C)cc1Cl Show InChI InChI=1S/C19H18ClN3OS/c1-11(2)18(24)23-19-22-10-17(25-19)14-6-7-21-9-15(14)13-5-4-12(3)8-16(13)20/h4-11H,1-3H3,(H,22,23,24) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Cancer Research Technology
Curated by ChEMBL
| Assay Description
Inhibition of recombinant N-terminal 6His-tagged LIMK1 (unknown origin) expressed in Sf21 cells by HTRF assay using cofilin as a substrate |
J Med Chem 58: 8309-13 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01242
BindingDB Entry DOI: 10.7270/Q27P917N |
More data for this
Ligand-Target Pair | |
LIM domain kinase 1
(Homo sapiens (Human)) | BDBM50591091
(CHEMBL5169387)Show SMILES CC(C)C(=O)Nc1ncc(s1)C(=O)NCCN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1 | PDB
Reactome pathway
KEGG
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B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00751
BindingDB Entry DOI: 10.7270/Q2F193Q2 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
LIM domain kinase 1
(Homo sapiens (Human)) | BDBM199250
(US9221808, 1bo | US9221808, 1bo-HCl | US9221808, 1...)Show InChI InChI=1S/C16H14N4O2S/c21-13-3-1-2-11(8-13)9-18-15(22)20-16-19-14(10-23-16)12-4-6-17-7-5-12/h1-8,10,21H,9H2,(H2,18,19,20,22) | PDB
Reactome pathway
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| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Moffitt Cancer Center
Curated by ChEMBL
| Assay Description
Inhibition of LIMK1 (unknown origin) |
Medchemcomm 3: 699-709 (2012)
Article DOI: 10.1039/c2md00320a
BindingDB Entry DOI: 10.7270/Q2571G0R |
More data for this
Ligand-Target Pair | |
LIM domain kinase 1
(Homo sapiens (Human)) | BDBM50299586
((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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00751
BindingDB Entry DOI: 10.7270/Q2F193Q2 |
More data for this
Ligand-Target Pair | |
LIM domain kinase 1
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Inhibition of human LIMK1 using cofilin as substrate by [gamma-33P]-ATP assay |
Eur J Med Chem 161: 456-467 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.052
BindingDB Entry DOI: 10.7270/Q2W380MT |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
LIM domain kinase 1
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human LIMK1 using cofilin as substrate by [gamma-33P]-ATP assay |
Citation and Details
Article DOI: 10.1016/j.bmc.2018.02.022
BindingDB Entry DOI: 10.7270/Q2DJ5KB8 |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
LIM domain kinase 1
(Homo sapiens (Human)) | BDBM50124400
(CHEMBL3623438)Show InChI InChI=1S/C20H14ClN3S/c21-18-9-5-4-8-15(18)17-12-22-11-10-16(17)19-13-23-20(25-19)24-14-6-2-1-3-7-14/h1-13H,(H,23,24) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
LIM domain kinase 1
(Homo sapiens (Human)) | BDBM50124400
(CHEMBL3623438)Show InChI InChI=1S/C20H14ClN3S/c21-18-9-5-4-8-15(18)17-12-22-11-10-16(17)19-13-23-20(25-19)24-14-6-2-1-3-7-14/h1-13H,(H,23,24) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cancer Research Technology
Curated by ChEMBL
| Assay Description
Inhibition of recombinant N-terminal 6His-tagged LIMK1 (unknown origin) expressed in Sf21 cells by HTRF assay using cofilin as a substrate |
J Med Chem 58: 8309-13 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01242
BindingDB Entry DOI: 10.7270/Q27P917N |
More data for this
Ligand-Target Pair | |
LIM domain kinase 1
(Homo sapiens (Human)) | BDBM50124352
(CHEMBL3623441)Show InChI InChI=1S/C18H16ClN3OS/c1-11(2)17(23)22-18-21-10-16(24-18)13-7-8-20-9-14(13)12-5-3-4-6-15(12)19/h3-11H,1-2H3,(H,21,22,23) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cancer Research Technology
Curated by ChEMBL
| Assay Description
Inhibition of recombinant N-terminal 6His-tagged LIMK1 (unknown origin) expressed in Sf21 cells by HTRF assay using cofilin as a substrate |
J Med Chem 58: 8309-13 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01242
BindingDB Entry DOI: 10.7270/Q27P917N |
More data for this
Ligand-Target Pair | |
LIM domain kinase 1
(Homo sapiens (Human)) | BDBM50299586
((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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/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 1
(Homo sapiens (Human)) | BDBM50299584
((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 |r,w:11.12| 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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.70 | n/a | n/a | n/a | n/a | n/a | n/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 1
(Homo sapiens (Human)) | BDBM50124399
(CHEMBL3623437)Show SMILES C[C@@H](Nc1ncc(s1)-c1ccncc1-c1ccccc1Cl)c1ccccc1 |r| Show InChI InChI=1S/C22H18ClN3S/c1-15(16-7-3-2-4-8-16)26-22-25-14-21(27-22)18-11-12-24-13-19(18)17-9-5-6-10-20(17)23/h2-15H,1H3,(H,25,26)/t15-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Cancer Research Technology
Curated by ChEMBL
| Assay Description
Inhibition of recombinant N-terminal 6His-tagged LIMK1 (unknown origin) expressed in Sf21 cells by HTRF assay using cofilin as a substrate |
J Med Chem 58: 8309-13 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01242
BindingDB Entry DOI: 10.7270/Q27P917N |
More data for this
Ligand-Target Pair | |
LIM domain kinase 1
(Homo sapiens (Human)) | BDBM50327391
(CHEMBL1258976 | N1-(4-(2-chlorophenyl)-6-(2-(isopr...)Show SMILES CC(C)Nc1ncc(s1)-c1cc(nc(NCCN(C)C)n1)-c1ccccc1Cl Show InChI InChI=1S/C20H25ClN6S/c1-13(2)24-20-23-12-18(28-20)17-11-16(14-7-5-6-8-15(14)21)25-19(26-17)22-9-10-27(3)4/h5-8,11-13H,9-10H2,1-4H3,(H,23,24)(H,22,25,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.01 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of LIMK1 |
Bioorg Med Chem Lett 20: 5864-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.102
BindingDB Entry DOI: 10.7270/Q22F7NP6 |
More data for this
Ligand-Target Pair | |
LIM domain kinase 1
(Homo sapiens (Human)) | BDBM50124397
(CHEMBL3623435)Show InChI InChI=1S/C18H18ClN3S/c1-12(2)9-21-18-22-11-17(23-18)14-7-8-20-10-15(14)13-5-3-4-6-16(13)19/h3-8,10-12H,9H2,1-2H3,(H,21,22) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
LIM domain kinase 1
(Homo sapiens (Human)) | BDBM50124397
(CHEMBL3623435)Show InChI InChI=1S/C18H18ClN3S/c1-12(2)9-21-18-22-11-17(23-18)14-7-8-20-10-15(14)13-5-3-4-6-16(13)19/h3-8,10-12H,9H2,1-2H3,(H,21,22) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Cancer Research Technology
Curated by ChEMBL
| Assay Description
Inhibition of recombinant N-terminal 6His-tagged LIMK1 (unknown origin) expressed in Sf21 cells by HTRF assay using cofilin as a substrate |
J Med Chem 58: 8309-13 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01242
BindingDB Entry DOI: 10.7270/Q27P917N |
More data for this
Ligand-Target Pair | |
LIM domain kinase 1
(Homo sapiens (Human)) | BDBM50591311
(CHEMBL3182065)Show SMILES FC(F)c1cc(-c2cnc(NC(=O)C3CC3)s2)n(n1)-c1c(Cl)cccc1Cl |(6.16,-4.92,;4.94,-4.79,;4.22,-5.79,;4.31,-3.38,;5.09,-2.05,;4.06,-.91,;4.37,.6,;5.82,1.09,;5.78,2.63,;4.3,3.07,;3.79,4.52,;4.79,5.69,;6,5.46,;4.28,7.14,;4.59,8.57,;3.14,8.05,;3.43,1.8,;2.67,-1.54,;2.81,-3.06,;1.33,-.77,;1.33,.77,;2.4,1.39,;,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;,-2.77,)| | PDB
Reactome pathway
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| Purchase
MCE
PC cid
PC sid
UniChem
| | n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
LIM domain kinase 1
(Homo sapiens (Human)) | BDBM50299586
((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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00751
BindingDB Entry DOI: 10.7270/Q2F193Q2 |
More data for this
Ligand-Target Pair | |
LIM domain kinase 1
(Homo sapiens (Human)) | BDBM50591090
(CHEMBL2141887)Show SMILES CC(C)C(=O)Nc1ncc(s1)-c1cc(nn1-c1c(Cl)cccc1Cl)C(F)F |(.04,3.6,;-1.29,2.83,;-2.62,3.6,;-1.29,1.29,;.04,.52,;-2.62,.52,;-2.62,-1.02,;-1.38,-1.93,;-1.85,-3.39,;-3.39,-3.39,;-3.87,-1.93,;-4.3,-4.64,;-5.84,-4.64,;-6.31,-6.1,;-5.07,-7.01,;-3.82,-6.1,;-2.36,-6.58,;-1.21,-5.55,;-1.53,-4.04,;.25,-6.03,;.57,-7.53,;-.57,-8.56,;-2.04,-8.09,;-3.18,-9.12,;-7.78,-6.58,;-8.92,-5.55,;-8.1,-8.09,)| | PDB
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Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00751
BindingDB Entry DOI: 10.7270/Q2F193Q2 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
LIM domain kinase 1
(Homo sapiens (Human)) | BDBM50591091
(CHEMBL5169387)Show SMILES CC(C)C(=O)Nc1ncc(s1)C(=O)NCCN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1 | PDB
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Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00751
BindingDB Entry DOI: 10.7270/Q2F193Q2 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
LIM domain kinase 1
(Homo sapiens (Human)) | BDBM50299585
((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 |r| 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 | PDB
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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 1
(Homo sapiens (Human)) | BDBM50591091
(CHEMBL5169387)Show SMILES CC(C)C(=O)Nc1ncc(s1)C(=O)NCCN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1 | PDB
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Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01106
BindingDB Entry DOI: 10.7270/Q23R0XVH |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
LIM domain kinase 1
(Homo sapiens (Human)) | BDBM50591090
(CHEMBL2141887)Show SMILES CC(C)C(=O)Nc1ncc(s1)-c1cc(nn1-c1c(Cl)cccc1Cl)C(F)F |(.04,3.6,;-1.29,2.83,;-2.62,3.6,;-1.29,1.29,;.04,.52,;-2.62,.52,;-2.62,-1.02,;-1.38,-1.93,;-1.85,-3.39,;-3.39,-3.39,;-3.87,-1.93,;-4.3,-4.64,;-5.84,-4.64,;-6.31,-6.1,;-5.07,-7.01,;-3.82,-6.1,;-2.36,-6.58,;-1.21,-5.55,;-1.53,-4.04,;.25,-6.03,;.57,-7.53,;-.57,-8.56,;-2.04,-8.09,;-3.18,-9.12,;-7.78,-6.58,;-8.92,-5.55,;-8.1,-8.09,)| | PDB
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Citation and Details
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More data for this
Ligand-Target Pair |
3D Structure (crystal) |
LIM domain kinase 1
(Homo sapiens (Human)) | BDBM50591090
(CHEMBL2141887)Show SMILES CC(C)C(=O)Nc1ncc(s1)-c1cc(nn1-c1c(Cl)cccc1Cl)C(F)F |(.04,3.6,;-1.29,2.83,;-2.62,3.6,;-1.29,1.29,;.04,.52,;-2.62,.52,;-2.62,-1.02,;-1.38,-1.93,;-1.85,-3.39,;-3.39,-3.39,;-3.87,-1.93,;-4.3,-4.64,;-5.84,-4.64,;-6.31,-6.1,;-5.07,-7.01,;-3.82,-6.1,;-2.36,-6.58,;-1.21,-5.55,;-1.53,-4.04,;.25,-6.03,;.57,-7.53,;-.57,-8.56,;-2.04,-8.09,;-3.18,-9.12,;-7.78,-6.58,;-8.92,-5.55,;-8.1,-8.09,)| | PDB
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TBA
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Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01106
BindingDB Entry DOI: 10.7270/Q23R0XVH |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
LIM domain kinase 1
(Homo sapiens (Human)) | BDBM50112355
(CHEMBL3609326)Show SMILES CCn1c2nc(Nc3ccc(N4CCNCC4)c(F)c3)ncc2cc(-c2ccc(Cl)cc2Cl)c1=O Show InChI InChI=1S/C25H23Cl2FN6O/c1-2-34-23-15(11-19(24(34)35)18-5-3-16(26)12-20(18)27)14-30-25(32-23)31-17-4-6-22(21(28)13-17)33-9-7-29-8-10-33/h3-6,11-14,29H,2,7-10H2,1H3,(H,30,31,32) | PDB
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| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00751
BindingDB Entry DOI: 10.7270/Q2F193Q2 |
More data for this
Ligand-Target Pair | |
LIM domain kinase 1
(Homo sapiens (Human)) | BDBM50117632
(CHEMBL3613609)Show SMILES CN(C)CC1(CCN(CC1)c1ncnc2[nH]cc(C)c12)C(=O)Nc1cccc(c1)C(=O)OCC#C Show InChI InChI=1S/C26H30N6O3/c1-5-13-35-24(33)19-7-6-8-20(14-19)30-25(34)26(16-31(3)4)9-11-32(12-10-26)23-21-18(2)15-27-22(21)28-17-29-23/h1,6-8,14-15,17H,9-13,16H2,2-4H3,(H,30,34)(H,27,28,29) | PDB
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Amakem Therapeutics N.V.
Curated by ChEMBL
| Assay Description
Inhibition of PKA (unknown origin) by radiometric assay |
Bioorg Med Chem Lett 25: 4005-10 (2015)
Article DOI: 10.1016/j.bmcl.2015.07.009
BindingDB Entry DOI: 10.7270/Q2T72K7D |
More data for this
Ligand-Target Pair | |
LIM domain kinase 1
(Homo sapiens (Human)) | BDBM50611817
(CHEMBL5289711) | PDB
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| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
LIM domain kinase 1
(Homo sapiens (Human)) | BDBM50611806
(CHEMBL5275515) | PDB
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More data for this
Ligand-Target Pair | |
LIM domain kinase 1
(Homo sapiens (Human)) | BDBM50124353
(CHEMBL3623443)Show SMILES COc1ccc(-c2cnccc2-c2cnc(NC(=O)C(C)C)s2)c(c1)C(F)(F)F Show InChI InChI=1S/C20H18F3N3O2S/c1-11(2)18(27)26-19-25-10-17(29-19)14-6-7-24-9-15(14)13-5-4-12(28-3)8-16(13)20(21,22)23/h4-11H,1-3H3,(H,25,26,27) | PDB
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Cancer Research Technology
Curated by ChEMBL
| Assay Description
Inhibition of recombinant N-terminal 6His-tagged LIMK1 (unknown origin) expressed in Sf21 cells by HTRF assay using cofilin as a substrate |
J Med Chem 58: 8309-13 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01242
BindingDB Entry DOI: 10.7270/Q27P917N |
More data for this
Ligand-Target Pair | |
LIM domain kinase 1
(Homo sapiens (Human)) | BDBM50072672
(CHEMBL3410056)Show SMILES COCCN(C(=O)Nc1ccc(cc1F)-c1ncnc2[nH]c(C)c(C)c12)c1ccc(Cl)cc1 Show InChI InChI=1S/C24H23ClFN5O2/c1-14-15(2)29-23-21(14)22(27-13-28-23)16-4-9-20(19(26)12-16)30-24(32)31(10-11-33-3)18-7-5-17(25)6-8-18/h4-9,12-13H,10-11H2,1-3H3,(H,30,32)(H,27,28,29) | PDB
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Translational Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human Limk1 using cofilin substrate, ATP and [gamma33P]ATP |
J Med Chem 58: 1846-61 (2015)
Article DOI: 10.1021/jm501680m
BindingDB Entry DOI: 10.7270/Q2K64KRC |
More data for this
Ligand-Target Pair | |
LIM domain kinase 1
(Homo sapiens (Human)) | BDBM50591091
(CHEMBL5169387)Show SMILES CC(C)C(=O)Nc1ncc(s1)C(=O)NCCN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1 | PDB
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Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01106
BindingDB Entry DOI: 10.7270/Q23R0XVH |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
LIM domain kinase 1
(Homo sapiens (Human)) | BDBM50130039
(CHEMBL3629276)Show SMILES COc1ccc(NC(=O)Nc2ccc(cc2F)-c2ncnc3[nH]cc(C)c23)cc1 Show InChI InChI=1S/C21H18FN5O2/c1-12-10-23-20-18(12)19(24-11-25-20)13-3-8-17(16(22)9-13)27-21(28)26-14-4-6-15(29-2)7-5-14/h3-11H,1-2H3,(H,23,24,25)(H2,26,27,28) | PDB
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Shanghai Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of LIMK1 (unknown origin) using 1 uM cofilin as substrate |
Bioorg Med Chem 23: 7464-77 (2015)
Article DOI: 10.1016/j.bmc.2015.10.041
BindingDB Entry DOI: 10.7270/Q2Q81FW9 |
More data for this
Ligand-Target Pair | |
LIM domain kinase 1
(Homo sapiens (Human)) | BDBM50130038
(CHEMBL3629277)Show SMILES Cc1c[nH]c2ncnc(-c3ccc(NC(=O)Nc4ccc(C)nc4)c(F)c3)c12 Show InChI InChI=1S/C20H17FN6O/c1-11-8-23-19-17(11)18(24-10-25-19)13-4-6-16(15(21)7-13)27-20(28)26-14-5-3-12(2)22-9-14/h3-10H,1-2H3,(H,23,24,25)(H2,26,27,28) | PDB
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Shanghai Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of LIMK1 (unknown origin) using 1 uM cofilin as substrate |
Bioorg Med Chem 23: 7464-77 (2015)
Article DOI: 10.1016/j.bmc.2015.10.041
BindingDB Entry DOI: 10.7270/Q2Q81FW9 |
More data for this
Ligand-Target Pair | |
LIM domain kinase 1
(Homo sapiens (Human)) | BDBM50097393
(CHEMBL3586447)Show SMILES Cc1cc2cn[nH]c2cc1-c1cccc2c(N)c(nnc12)C(N)=O Show InChI InChI=1S/C17H14N6O/c1-8-5-9-7-20-21-13(9)6-12(8)10-3-2-4-11-14(18)16(17(19)24)23-22-15(10)11/h2-7H,1H3,(H2,18,22)(H2,19,24)(H,20,21) | PDB
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Takeda California, 10410 Science Center Drive, San Diego, California 92121, United States.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant LIMK1 by LanthaScreen Binding assay |
J Med Chem 58: 5437-44 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00734
BindingDB Entry DOI: 10.7270/Q25B047D |
More data for this
Ligand-Target Pair | |
LIM domain kinase 1
(Homo sapiens (Human)) | BDBM50044004
(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) | PDB
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Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00751
BindingDB Entry DOI: 10.7270/Q2F193Q2 |
More data for this
Ligand-Target Pair | |
LIM domain kinase 1
(Homo sapiens (Human)) | BDBM50124363
(CHEMBL3622874)Show SMILES CCCNc1ncc(s1)-c1ccncc1-c1ccc(OC)cc1C(F)(F)F Show InChI InChI=1S/C19H18F3N3OS/c1-3-7-24-18-25-11-17(27-18)14-6-8-23-10-15(14)13-5-4-12(26-2)9-16(13)19(20,21)22/h4-6,8-11H,3,7H2,1-2H3,(H,24,25) | PDB
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Cancer Research Technology
Curated by ChEMBL
| Assay Description
Inhibition of recombinant N-terminal 6His-tagged LIMK1 (unknown origin) expressed in Sf21 cells by HTRF assay using cofilin as a substrate |
J Med Chem 58: 8309-13 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01242
BindingDB Entry DOI: 10.7270/Q27P917N |
More data for this
Ligand-Target Pair | |
LIM domain kinase 1
(Homo sapiens (Human)) | BDBM50124363
(CHEMBL3622874)Show SMILES CCCNc1ncc(s1)-c1ccncc1-c1ccc(OC)cc1C(F)(F)F Show InChI InChI=1S/C19H18F3N3OS/c1-3-7-24-18-25-11-17(27-18)14-6-8-23-10-15(14)13-5-4-12(26-2)9-16(13)19(20,21)22/h4-6,8-11H,3,7H2,1-2H3,(H,24,25) | PDB
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More data for this
Ligand-Target Pair | |
LIM domain kinase 1
(Homo sapiens (Human)) | BDBM50124356
(CHEMBL3622867)Show InChI InChI=1S/C17H16ClN3S/c1-2-8-20-17-21-11-16(22-17)13-7-9-19-10-14(13)12-5-3-4-6-15(12)18/h3-7,9-11H,2,8H2,1H3,(H,20,21) | PDB
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| |
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|
More data for this
Ligand-Target Pair | |
LIM domain kinase 1
(Homo sapiens (Human)) | BDBM50124356
(CHEMBL3622867)Show InChI InChI=1S/C17H16ClN3S/c1-2-8-20-17-21-11-16(22-17)13-7-9-19-10-14(13)12-5-3-4-6-15(12)18/h3-7,9-11H,2,8H2,1H3,(H,20,21) | PDB
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Cancer Research Technology
Curated by ChEMBL
| Assay Description
Inhibition of recombinant N-terminal 6His-tagged LIMK1 (unknown origin) expressed in Sf21 cells by HTRF assay using cofilin as a substrate |
J Med Chem 58: 8309-13 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01242
BindingDB Entry DOI: 10.7270/Q27P917N |
More data for this
Ligand-Target Pair | |
LIM domain kinase 1
(Homo sapiens (Human)) | BDBM50117489
(CHEMBL3613598)Show SMILES COC(=O)c1cccc(NC(=O)C2(CN)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1 Show InChI InChI=1S/C22H26N6O3/c1-14-11-24-18-17(14)19(26-13-25-18)28-8-6-22(12-23,7-9-28)21(30)27-16-5-3-4-15(10-16)20(29)31-2/h3-5,10-11,13H,6-9,12,23H2,1-2H3,(H,27,30)(H,24,25,26) | PDB
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Amakem Therapeutics N.V.
Curated by ChEMBL
| Assay Description
Inhibition of PKA (unknown origin) by radiometric assay |
Bioorg Med Chem Lett 25: 4005-10 (2015)
Article DOI: 10.1016/j.bmcl.2015.07.009
BindingDB Entry DOI: 10.7270/Q2T72K7D |
More data for this
Ligand-Target Pair | |
LIM domain kinase 1
(Homo sapiens (Human)) | BDBM50591090
(CHEMBL2141887)Show SMILES CC(C)C(=O)Nc1ncc(s1)-c1cc(nn1-c1c(Cl)cccc1Cl)C(F)F |(.04,3.6,;-1.29,2.83,;-2.62,3.6,;-1.29,1.29,;.04,.52,;-2.62,.52,;-2.62,-1.02,;-1.38,-1.93,;-1.85,-3.39,;-3.39,-3.39,;-3.87,-1.93,;-4.3,-4.64,;-5.84,-4.64,;-6.31,-6.1,;-5.07,-7.01,;-3.82,-6.1,;-2.36,-6.58,;-1.21,-5.55,;-1.53,-4.04,;.25,-6.03,;.57,-7.53,;-.57,-8.56,;-2.04,-8.09,;-3.18,-9.12,;-7.78,-6.58,;-8.92,-5.55,;-8.1,-8.09,)| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01106
BindingDB Entry DOI: 10.7270/Q23R0XVH |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
LIM domain kinase 1
(Homo sapiens (Human)) | BDBM50591311
(CHEMBL3182065)Show SMILES FC(F)c1cc(-c2cnc(NC(=O)C3CC3)s2)n(n1)-c1c(Cl)cccc1Cl |(6.16,-4.92,;4.94,-4.79,;4.22,-5.79,;4.31,-3.38,;5.09,-2.05,;4.06,-.91,;4.37,.6,;5.82,1.09,;5.78,2.63,;4.3,3.07,;3.79,4.52,;4.79,5.69,;6,5.46,;4.28,7.14,;4.59,8.57,;3.14,8.05,;3.43,1.8,;2.67,-1.54,;2.81,-3.06,;1.33,-.77,;1.33,.77,;2.4,1.39,;,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;,-2.77,)| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00751
BindingDB Entry DOI: 10.7270/Q2F193Q2 |
More data for this
Ligand-Target Pair | |
LIM domain kinase 1
(Homo sapiens (Human)) | BDBM50072662
(CHEMBL3407526)Show SMILES CC(C)NC(=O)c1cccc(NC(=O)Nc2ccc(cc2F)-c2ncnc3[nH]cc(C)c23)c1 Show InChI InChI=1S/C24H23FN6O2/c1-13(2)29-23(32)16-5-4-6-17(9-16)30-24(33)31-19-8-7-15(10-18(19)25)21-20-14(3)11-26-22(20)28-12-27-21/h4-13H,1-3H3,(H,29,32)(H,26,27,28)(H2,30,31,33) | PDB
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Translational Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human Limk1 using cofilin substrate, ATP and [gamma33P]ATP |
J Med Chem 58: 1846-61 (2015)
Article DOI: 10.1021/jm501680m
BindingDB Entry DOI: 10.7270/Q2K64KRC |
More data for this
Ligand-Target Pair | |
LIM domain kinase 1
(Homo sapiens (Human)) | BDBM50433630
(CHEMBL2380834)Show SMILES Fc1ccc(C(=O)Nc2ccc(Nc3ccnc4[nH]c(=O)c5ccccc5c34)cc2)c(c1)C(F)(F)F Show InChI InChI=1S/C26H16F4N4O2/c27-14-5-10-19(20(13-14)26(28,29)30)25(36)33-16-8-6-15(7-9-16)32-21-11-12-31-23-22(21)17-3-1-2-4-18(17)24(35)34-23/h1-13H,(H,33,36)(H2,31,32,34,35) | PDB
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EMD Serono Research Institute, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of LIMK1 (unknown origin) |
Bioorg Med Chem Lett 23: 3081-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.008
BindingDB Entry DOI: 10.7270/Q2QN686Z |
More data for this
Ligand-Target Pair | |
LIM domain kinase 1
(Homo sapiens (Human)) | BDBM50117303
(CHEMBL3613601)Show SMILES COC(=O)c1cccc(NC(=O)C2(N)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1 Show InChI InChI=1S/C21H24N6O3/c1-13-11-23-17-16(13)18(25-12-24-17)27-8-6-21(22,7-9-27)20(29)26-15-5-3-4-14(10-15)19(28)30-2/h3-5,10-12H,6-9,22H2,1-2H3,(H,26,29)(H,23,24,25) | PDB
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Amakem Therapeutics N.V.
Curated by ChEMBL
| Assay Description
Inhibition of LIMK1 (unknown origin) by radiometric assay |
Bioorg Med Chem Lett 25: 4005-10 (2015)
Article DOI: 10.1016/j.bmcl.2015.07.009
BindingDB Entry DOI: 10.7270/Q2T72K7D |
More data for this
Ligand-Target Pair | |
LIM domain kinase 1
(Homo sapiens (Human)) | BDBM50117370
(CHEMBL3613599)Show SMILES CN(C)CC1(CCN(CC1)c1ncnc2[nH]cc(C)c12)C(=O)Nc1cccc(OC(=O)N(C)C)c1 Show InChI InChI=1S/C25H33N7O3/c1-17-14-26-21-20(17)22(28-16-27-21)32-11-9-25(10-12-32,15-30(2)3)23(33)29-18-7-6-8-19(13-18)35-24(34)31(4)5/h6-8,13-14,16H,9-12,15H2,1-5H3,(H,29,33)(H,26,27,28) | PDB
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Amakem Therapeutics N.V.
Curated by ChEMBL
| Assay Description
Inhibition of LIMK1 (unknown origin) by radiometric assay |
Bioorg Med Chem Lett 25: 4005-10 (2015)
Article DOI: 10.1016/j.bmcl.2015.07.009
BindingDB Entry DOI: 10.7270/Q2T72K7D |
More data for this
Ligand-Target Pair | |
LIM domain kinase 1
(Homo sapiens (Human)) | BDBM50130037
(CHEMBL3629278)Show SMILES Cc1c[nH]c2ncnc(-c3ccc(NC(=O)Nc4ccnc(C)c4)c(F)c3)c12 Show InChI InChI=1S/C20H17FN6O/c1-11-9-23-19-17(11)18(24-10-25-19)13-3-4-16(15(21)8-13)27-20(28)26-14-5-6-22-12(2)7-14/h3-10H,1-2H3,(H,23,24,25)(H2,22,26,27,28) | PDB
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Shanghai Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of LIMK1 (unknown origin) using 1 uM cofilin as substrate |
Bioorg Med Chem 23: 7464-77 (2015)
Article DOI: 10.1016/j.bmc.2015.10.041
BindingDB Entry DOI: 10.7270/Q2Q81FW9 |
More data for this
Ligand-Target Pair | |
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