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14 similar compounds to monomer 50201653

Compile data set for download or QSAR
Wt: 554.6
BDBM50201654
Wt: 459.6
BDBM50201656
Wt: 516.6
BDBM50201657
Wt: 434.5
BDBM50225893
Wt: 185.1
BDBM50225886
Wt: 244.2
BDBM50225887
Wt: 218.2
BDBM50225888
Wt: 434.5
BDBM50225891
Wt: 434.5
BDBM50225892
Wt: 314.3
BDBM50225894
Wt: 452.5
BDBM50225895
Wt: 452.5
BDBM50225896

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 24 hits for monomerid = 50201654,50201656,50201657,50225893,50225886,50225887,50225888,50225891,50225892,50225894,50225895,50225896   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50225888
PNG
(CHEMBL61325)
Show SMILES CC1(COc2ccccc2O1)C1=NCCN1
Show InChI InChI=1S/C12H14N2O2/c1-12(11-13-6-7-14-11)8-15-9-4-2-3-5-10(9)16-12/h2-5H,6-8H2,1H3,(H,13,14)
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2.40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]idazoxan from alpha-2 adrenergic receptor from rat brain cerebral cortex.


J Med Chem 29: 2000-3 (1986)


Article DOI: 10.1021/jm00160a033
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50225888
PNG
(CHEMBL61325)
Show SMILES CC1(COc2ccccc2O1)C1=NCCN1
Show InChI InChI=1S/C12H14N2O2/c1-12(11-13-6-7-14-11)8-15-9-4-2-3-5-10(9)16-12/h2-5H,6-8H2,1H3,(H,13,14)
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4.40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]idazoxan from alpha-2 adrenergic receptor from rat brain cerebral cortex.


J Med Chem 29: 2000-3 (1986)


Article DOI: 10.1021/jm00160a033
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50225887
PNG
(CHEMBL61234)
Show SMILES CC(=C)C1(COc2ccccc2O1)C1=NCCN1
Show InChI InChI=1S/C14H16N2O2/c1-10(2)14(13-15-7-8-16-13)9-17-11-5-3-4-6-12(11)18-14/h3-6H,1,7-9H2,2H3,(H,15,16)
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8n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]idazoxan from alpha-2 adrenergic receptor from rat brain cerebral cortex.


J Med Chem 29: 2000-3 (1986)


Article DOI: 10.1021/jm00160a033
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50225887
PNG
(CHEMBL61234)
Show SMILES CC(=C)C1(COc2ccccc2O1)C1=NCCN1
Show InChI InChI=1S/C14H16N2O2/c1-10(2)14(13-15-7-8-16-13)9-17-11-5-3-4-6-12(11)18-14/h3-6H,1,7-9H2,2H3,(H,15,16)
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16n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]idazoxan from alpha-2 adrenergic receptor from rat brain cerebral cortex.


J Med Chem 29: 2000-3 (1986)


Article DOI: 10.1021/jm00160a033
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50225888
PNG
(CHEMBL61325)
Show SMILES CC1(COc2ccccc2O1)C1=NCCN1
Show InChI InChI=1S/C12H14N2O2/c1-12(11-13-6-7-14-11)8-15-9-4-2-3-5-10(9)16-12/h2-5H,6-8H2,1H3,(H,13,14)
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285n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from alpha-1 adrenergic receptor from rat brain cerebral cortex


J Med Chem 29: 2000-3 (1986)


Article DOI: 10.1021/jm00160a033
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50225888
PNG
(CHEMBL61325)
Show SMILES CC1(COc2ccccc2O1)C1=NCCN1
Show InChI InChI=1S/C12H14N2O2/c1-12(11-13-6-7-14-11)8-15-9-4-2-3-5-10(9)16-12/h2-5H,6-8H2,1H3,(H,13,14)
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449n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from alpha-1 adrenergic receptor from rat brain cerebral cortex


J Med Chem 29: 2000-3 (1986)


Article DOI: 10.1021/jm00160a033
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50225888
PNG
(CHEMBL61325)
Show SMILES CC1(COc2ccccc2O1)C1=NCCN1
Show InChI InChI=1S/C12H14N2O2/c1-12(11-13-6-7-14-11)8-15-9-4-2-3-5-10(9)16-12/h2-5H,6-8H2,1H3,(H,13,14)
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487n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]idazoxan from alpha-2 adrenergic receptor from rat brain cerebral cortex.


J Med Chem 29: 2000-3 (1986)


Article DOI: 10.1021/jm00160a033
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50225886
PNG
(CHEMBL62072)
Show SMILES CNCC(O)c1ccc(F)c(O)c1
Show InChI InChI=1S/C9H12FNO2/c1-11-5-9(13)6-2-3-7(10)8(12)4-6/h2-4,9,11-13H,5H2,1H3
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1.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its ability to displace [3H]clonidine form alpha-2 adrenergic receptor site in guinea pig cerebral cortical membranes.


J Med Chem 29: 1982-8 (1986)


Article DOI: 10.1021/jm00160a030
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50225887
PNG
(CHEMBL61234)
Show SMILES CC(=C)C1(COc2ccccc2O1)C1=NCCN1
Show InChI InChI=1S/C14H16N2O2/c1-10(2)14(13-15-7-8-16-13)9-17-11-5-3-4-6-12(11)18-14/h3-6H,1,7-9H2,2H3,(H,15,16)
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1.47E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from alpha-1 adrenergic receptor from rat brain cerebral cortex


J Med Chem 29: 2000-3 (1986)


Article DOI: 10.1021/jm00160a033
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50225887
PNG
(CHEMBL61234)
Show SMILES CC(=C)C1(COc2ccccc2O1)C1=NCCN1
Show InChI InChI=1S/C14H16N2O2/c1-10(2)14(13-15-7-8-16-13)9-17-11-5-3-4-6-12(11)18-14/h3-6H,1,7-9H2,2H3,(H,15,16)
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1.79E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from alpha-1 adrenergic receptor from rat brain cerebral cortex


J Med Chem 29: 2000-3 (1986)


Article DOI: 10.1021/jm00160a033
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50225887
PNG
(CHEMBL61234)
Show SMILES CC(=C)C1(COc2ccccc2O1)C1=NCCN1
Show InChI InChI=1S/C14H16N2O2/c1-10(2)14(13-15-7-8-16-13)9-17-11-5-3-4-6-12(11)18-14/h3-6H,1,7-9H2,2H3,(H,15,16)
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8.73E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]idazoxan from alpha-2 adrenergic receptor from rat brain cerebral cortex.


J Med Chem 29: 2000-3 (1986)


Article DOI: 10.1021/jm00160a033
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50225888
PNG
(CHEMBL61325)
Show SMILES CC1(COc2ccccc2O1)C1=NCCN1
Show InChI InChI=1S/C12H14N2O2/c1-12(11-13-6-7-14-11)8-15-9-4-2-3-5-10(9)16-12/h2-5H,6-8H2,1H3,(H,13,14)
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1.33E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from alpha-1 adrenergic receptor from rat brain cerebral cortex


J Med Chem 29: 2000-3 (1986)


Article DOI: 10.1021/jm00160a033
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50225887
PNG
(CHEMBL61234)
Show SMILES CC(=C)C1(COc2ccccc2O1)C1=NCCN1
Show InChI InChI=1S/C14H16N2O2/c1-10(2)14(13-15-7-8-16-13)9-17-11-5-3-4-6-12(11)18-14/h3-6H,1,7-9H2,2H3,(H,15,16)
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4.64E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from alpha-1 adrenergic receptor from rat brain cerebral cortex


J Med Chem 29: 2000-3 (1986)


Article DOI: 10.1021/jm00160a033
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50225896
PNG
(CHEMBL65235)
Show SMILES OC(CCCN1CC[C@H]2[C@@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C27H27F3N2O/c28-19-5-3-18(4-6-19)27(33)2-1-14-31-15-13-26-24(17-31)23-16-21(30)9-12-25(23)32(26)22-10-7-20(29)8-11-22/h3-12,16,24,26-27,33H,1-2,13-15,17H2/t24-,26-,27?/m0/s1
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n/an/a 52n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for Dopamine receptors in the rat striatum using [3H]spiroperidol displacement.


J Med Chem 29: 2093-9 (1986)


Article DOI: 10.1021/jm00160a050
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50225895
PNG
(CHEMBL65358)
Show SMILES OC(CCCN1CC[C@@H]2[C@@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C27H27F3N2O/c28-19-5-3-18(4-6-19)27(33)2-1-14-31-15-13-26-24(17-31)23-16-21(30)9-12-25(23)32(26)22-10-7-20(29)8-11-22/h3-12,16,24,26-27,33H,1-2,13-15,17H2/t24-,26+,27?/m0/s1
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n/an/a 21n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for Dopamine receptors in the rat striatum using [3H]spiroperidol displacement.


J Med Chem 29: 2093-9 (1986)


Article DOI: 10.1021/jm00160a050
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50225894
PNG
(CHEMBL63789)
Show SMILES CCN1CC[C@@H]2[C@@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1
Show InChI InChI=1S/C19H20F2N2/c1-2-22-10-9-19-17(12-22)16-11-14(21)5-8-18(16)23(19)15-6-3-13(20)4-7-15/h3-8,11,17,19H,2,9-10,12H2,1H3/t17-,19+/m0/s1
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n/an/a 2.30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for Dopamine receptors in the rat striatum using [3H]spiroperidol displacement.


J Med Chem 29: 2093-9 (1986)


Article DOI: 10.1021/jm00160a050
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50225893
PNG
(CHEMBL66187)
Show SMILES OC(CCCN1CC[C@@H]2[C@@H](C1)c1cc(F)ccc1N2c1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C27H28F2N2O/c28-20-10-8-19(9-11-20)27(32)7-4-15-30-16-14-26-24(18-30)23-17-21(29)12-13-25(23)31(26)22-5-2-1-3-6-22/h1-3,5-6,8-13,17,24,26-27,32H,4,7,14-16,18H2/t24-,26+,27?/m0/s1
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n/an/a 15n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for Dopamine receptors in the rat striatum using [3H]spiroperidol displacement.


J Med Chem 29: 2093-9 (1986)


Article DOI: 10.1021/jm00160a050
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50225892
PNG
(CHEMBL303364)
Show SMILES OC(CCCN1CC[C@@H]2[C@@H](C1)c1ccccc1N2c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C27H28F2N2O/c28-20-9-7-19(8-10-20)27(32)6-3-16-30-17-15-26-24(18-30)23-4-1-2-5-25(23)31(26)22-13-11-21(29)12-14-22/h1-2,4-5,7-14,24,26-27,32H,3,6,15-18H2/t24-,26+,27?/m0/s1
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n/an/a 26n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for Dopamine receptors in the rat striatum using [3H]spiroperidol displacement.


J Med Chem 29: 2093-9 (1986)


Article DOI: 10.1021/jm00160a050
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50225891
PNG
(CHEMBL68187)
Show SMILES OC(CCCN1CC[C@@H]2[C@@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1)c1ccccc1
Show InChI InChI=1S/C27H28F2N2O/c28-20-8-11-22(12-9-20)31-25-13-10-21(29)17-23(25)24-18-30(16-14-26(24)31)15-4-7-27(32)19-5-2-1-3-6-19/h1-3,5-6,8-13,17,24,26-27,32H,4,7,14-16,18H2/t24-,26+,27?/m0/s1
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n/an/a 21n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for Dopamine receptors in the rat striatum using [3H]spiroperidol displacement.


J Med Chem 29: 2093-9 (1986)


Article DOI: 10.1021/jm00160a050
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50201657
PNG
(CHEMBL3905435)
Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(OCc2cccc(CN(Cc3ccsc3)C3CCN(C)CC3)c2)cc1
Show InChI InChI=1S/C31H36N2O3S/c1-3-5-28(19-31(34)35)27-8-10-30(11-9-27)36-22-25-7-4-6-24(18-25)20-33(21-26-14-17-37-23-26)29-12-15-32(2)16-13-29/h4,6-11,14,17-18,23,28-29H,12-13,15-16,19-22H2,1-2H3,(H,34,35)/t28-/m0/s1
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n/an/an/an/a 140n/an/an/an/a



Cadila Healthcare Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in HEK293 cells measured after 18 to 20 hrs by beta-gal based luciferase reporter gene assay


ACS Med Chem Lett 7: 1134-1138 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00331
BindingDB Entry DOI: 10.7270/Q2K35WN3
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50201656
PNG
(CHEMBL3966739)
Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(OCc2cccc(CN(Cc3ccsc3)C3CC3)c2)cc1
Show InChI InChI=1S/C28H29NO3S/c1-2-4-25(16-28(30)31)24-7-11-27(12-8-24)32-19-22-6-3-5-21(15-22)17-29(26-9-10-26)18-23-13-14-33-20-23/h3,5-8,11-15,20,25-26H,9-10,16-19H2,1H3,(H,30,31)/t25-/m0/s1
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n/an/an/an/a 1.90n/an/an/an/a



Cadila Healthcare Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in HEK293 cells measured after 18 to 20 hrs by beta-gal based luciferase reporter gene assay


ACS Med Chem Lett 7: 1134-1138 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00331
BindingDB Entry DOI: 10.7270/Q2K35WN3
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50225893
PNG
(CHEMBL66187)
Show SMILES OC(CCCN1CC[C@@H]2[C@@H](C1)c1cc(F)ccc1N2c1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C27H28F2N2O/c28-20-10-8-19(9-11-20)27(32)7-4-15-30-16-14-26-24(18-30)23-17-21(29)12-13-25(23)31(26)22-5-2-1-3-6-22/h1-3,5-6,8-13,17,24,26-27,32H,4,7,14-16,18H2/t24-,26+,27?/m0/s1
MMDB

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KEGG

UniProtKB/SwissProt

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UniChem

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PubMed
n/an/a 22n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for Dopamine receptors in the rat striatum using [3H]spiroperidol displacement.


J Med Chem 29: 2093-9 (1986)


Article DOI: 10.1021/jm00160a050
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50201654
PNG
(CHEMBL3964858)
Show SMILES CCS(=O)(=O)c1cc(Nc2ncc(F)c(n2)N(C)c2cc(CO)c(C)cc2C)ccc1N1C[C@@H]2C[C@H]1CN2C
Show InChI InChI=1S/C28H35FN6O3S/c1-6-39(37,38)26-11-20(7-8-24(26)35-15-21-12-22(35)14-33(21)4)31-28-30-13-23(29)27(32-28)34(5)25-10-19(16-36)17(2)9-18(25)3/h7-11,13,21-22,36H,6,12,14-16H2,1-5H3,(H,30,31,32)/t21-,22-/m0/s1
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n/an/a 110n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PAK1 phosphorylation in human MCF10A cells


ACS Med Chem Lett 7: 1118-1123 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00322
BindingDB Entry DOI: 10.7270/Q2PV6NCH
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50201654
PNG
(CHEMBL3964858)
Show SMILES CCS(=O)(=O)c1cc(Nc2ncc(F)c(n2)N(C)c2cc(CO)c(C)cc2C)ccc1N1C[C@@H]2C[C@H]1CN2C
Show InChI InChI=1S/C28H35FN6O3S/c1-6-39(37,38)26-11-20(7-8-24(26)35-15-21-12-22(35)14-33(21)4)31-28-30-13-23(29)27(32-28)34(5)25-10-19(16-36)17(2)9-18(25)3/h7-11,13,21-22,36H,6,12,14-16H2,1-5H3,(H,30,31,32)/t21-,22-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
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UniChem

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PubMed
n/an/a 0.580n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PAK1 (unknown origin) by ATP-kinaseGlo assay


ACS Med Chem Lett 7: 1118-1123 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00322
BindingDB Entry DOI: 10.7270/Q2PV6NCH
More data for this
Ligand-Target Pair