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21 similar compounds to monomer 50131674

Compile data set for download or QSAR
Wt: 433.1
BDBM50117291
Wt: 495.4
BDBM50117298
Wt: 450.5
BDBM50117299
Wt: 436.5
BDBM50117302
Wt: 408.4
BDBM50117303
Wt: 480.5
BDBM50117301
Wt: 453.4
BDBM50117287
Wt: 403.4
BDBM50117288
Wt: 401.4
BDBM50117289
Wt: 414.4
BDBM50117290
Wt: 446.3
BDBM50117292
Wt: 389.4
BDBM50117293
Wt: 427.5
BDBM50117294
Wt: 456.3
BDBM50117295
Wt: 670.3
BDBM50131686
Displayed 1 to 15 (of 21 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 27 hits for monomerid = 50117291,50117298,50117299,50117302,50117303,50117301,50117287,50117288,50117289,50117290,50117292,50117293,50117294,50117295,50131686   
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
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50117294
PNG
(CHEMBL3613489)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccn1
Show InChI InChI=1S/C27H29N3O2/c1-27(2,3)23-13-11-22(12-14-23)26(32)30-18-16-29(17-19-30)25(31)21-9-7-20(8-10-21)24-6-4-5-15-28-24/h4-15H,16-19H2,1-3H3
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n/an/a 1.16E+3n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl (unknown origin) after 60 mins by luminescent kinase assay


Eur J Med Chem 101: 780-9 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.015
BindingDB Entry DOI: 10.7270/Q2X63PQW
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50131686
PNG
(CHEMBL3633135)
Show SMILES Cl.COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)Cn2cc(CCO)nn2)C(C)C)ccc1OC
Show InChI InChI=1S/C34H59N5O6.ClH/c1-23(2)26(16-25-10-11-31(44-8)32(17-25)45-15-9-14-43-7)18-29(35)30(41)19-28(24(3)4)33(42)36-21-34(5,6)22-39-20-27(12-13-40)37-38-39;/h10-11,17,20,23-24,26,28-30,40-41H,9,12-16,18-19,21-22,35H2,1-8H3,(H,36,42);1H/t26-,28-,29-,30-;/m0./s1
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n/an/a 0.700n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin preincubated for 30 mins followed by substrate addition measured after 15 mins by fluorescence analysis


Eur J Med Chem 103: 269-88 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.060
BindingDB Entry DOI: 10.7270/Q21J9CNX
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50117288
PNG
(CHEMBL3613496)
Show SMILES Cc1ccnc(c1)-c1ccc(cc1)C(=O)N1CCN(CC1)C(=O)c1cccc(F)c1
Show InChI InChI=1S/C24H22FN3O2/c1-17-9-10-26-22(15-17)18-5-7-19(8-6-18)23(29)27-11-13-28(14-12-27)24(30)20-3-2-4-21(25)16-20/h2-10,15-16H,11-14H2,1H3
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n/an/a 6.33E+4n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl (unknown origin) after 60 mins by luminescent kinase assay


Eur J Med Chem 101: 780-9 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.015
BindingDB Entry DOI: 10.7270/Q2X63PQW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50117290
PNG
(CHEMBL3613494)
Show SMILES CN(C)c1cccc(c1)C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1cccnc1
Show InChI InChI=1S/C25H26N4O2/c1-27(2)23-7-3-5-21(17-23)25(31)29-15-13-28(14-16-29)24(30)20-10-8-19(9-11-20)22-6-4-12-26-18-22/h3-12,17-18H,13-16H2,1-2H3
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n/an/a 1.02E+4n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl (unknown origin) after 60 mins by luminescent kinase assay


Eur J Med Chem 101: 780-9 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.015
BindingDB Entry DOI: 10.7270/Q2X63PQW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50117287
PNG
(CHEMBL3613495)
Show SMILES Cc1ccnc(c1)-c1ccc(cc1)C(=O)N1CCN(CC1)C(=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C25H22F3N3O2/c1-17-9-10-29-22(15-17)18-5-7-19(8-6-18)23(32)30-11-13-31(14-12-30)24(33)20-3-2-4-21(16-20)25(26,27)28/h2-10,15-16H,11-14H2,1H3
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n/an/a 112n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl (unknown origin) after 60 mins by luminescent kinase assay


Eur J Med Chem 101: 780-9 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.015
BindingDB Entry DOI: 10.7270/Q2X63PQW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50117293
PNG
(CHEMBL3613492)
Show SMILES Fc1cccc(c1)C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1cccnc1
Show InChI InChI=1S/C23H20FN3O2/c24-21-5-1-3-19(15-21)23(29)27-13-11-26(12-14-27)22(28)18-8-6-17(7-9-18)20-4-2-10-25-16-20/h1-10,15-16H,11-14H2
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n/an/a 276n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl (unknown origin) after 60 mins by luminescent kinase assay


Eur J Med Chem 101: 780-9 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.015
BindingDB Entry DOI: 10.7270/Q2X63PQW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50117289
PNG
(CHEMBL3613493)
Show SMILES COc1cccc(c1)C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1cccnc1
Show InChI InChI=1S/C24H23N3O3/c1-30-22-6-2-4-20(16-22)24(29)27-14-12-26(13-15-27)23(28)19-9-7-18(8-10-19)21-5-3-11-25-17-21/h2-11,16-17H,12-15H2,1H3
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n/an/a 6.07E+4n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl (unknown origin) after 60 mins by luminescent kinase assay


Eur J Med Chem 101: 780-9 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.015
BindingDB Entry DOI: 10.7270/Q2X63PQW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50117292
PNG
(CHEMBL3613513)
Show SMILES Clc1ccc(C(=O)N2CCN(CC2)C(=O)c2ccc(cc2)-c2nccs2)c(Cl)c1
Show InChI InChI=1S/C21H17Cl2N3O2S/c22-16-5-6-17(18(23)13-16)21(28)26-10-8-25(9-11-26)20(27)15-3-1-14(2-4-15)19-24-7-12-29-19/h1-7,12-13H,8-11H2
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n/an/a>5.00E+5n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl (unknown origin) after 60 mins by luminescent kinase assay


Eur J Med Chem 101: 780-9 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.015
BindingDB Entry DOI: 10.7270/Q2X63PQW
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50117291
PNG
(CHEMBL3613587)
Show SMILES NC(=S)N\N=C(/COc1ccc(Cl)c(Cl)c1)c1ccc(Br)cc1
Show InChI InChI=1S/C15H12BrCl2N3OS/c16-10-3-1-9(2-4-10)14(20-21-15(19)23)8-22-11-5-6-12(17)13(18)7-11/h1-7H,8H2,(H3,19,21,23)/b20-14+
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n/an/a 8n/an/an/an/an/an/a



Universidade Federal de Pernambuco

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi catalytic activity of cruzain using Z-FR-AMC as substrate after 10 mins by fluorescence assay


Eur J Med Chem 101: 818-35 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.048
BindingDB Entry DOI: 10.7270/Q22R3TG5
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50117298
PNG
(CHEMBL3613597)
Show SMILES CC(C)c1nn(C)cc1-c1nc2c(N3CCN(Cc4cccnc4)CC3)c(Br)cnc2[nH]1
Show InChI InChI=1S/C23H27BrN8/c1-15(2)19-17(14-30(3)29-19)22-27-20-21(18(24)12-26-23(20)28-22)32-9-7-31(8-10-32)13-16-5-4-6-25-11-16/h4-6,11-12,14-15H,7-10,13H2,1-3H3,(H,26,27,28)
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n/an/a 10n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of Tyk2 (unknown origin)


Bioorg Med Chem Lett 25: 3947-52 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.037
BindingDB Entry DOI: 10.7270/Q2Z039ZQ
More data for this
Ligand-Target Pair
LIM domain kinase 1


(Homo sapiens (Human))
BDBM50117303
PNG
(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)
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n/an/a 18n/an/an/an/an/an/a



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))
BDBM50117302
PNG
(CHEMBL3613602)
Show SMILES COC(=O)c1cccc(NC(=O)C2(CCN(CC2)c2ncnc3[nH]cc(C)c23)N(C)C)c1
Show InChI InChI=1S/C23H28N6O3/c1-15-13-24-19-18(15)20(26-14-25-19)29-10-8-23(9-11-29,28(2)3)22(31)27-17-7-5-6-16(12-17)21(30)32-4/h5-7,12-14H,8-11H2,1-4H3,(H,27,31)(H,24,25,26)
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n/an/a 37n/an/an/an/an/an/a



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))
BDBM50117301
PNG
(CHEMBL3613603)
Show SMILES COC(=O)COc1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1
Show InChI InChI=1S/C25H32N6O4/c1-17-13-26-22-21(17)23(28-16-27-22)31-10-8-25(9-11-31,15-30(2)3)24(33)29-18-6-5-7-19(12-18)35-14-20(32)34-4/h5-7,12-13,16H,8-11,14-15H2,1-4H3,(H,29,33)(H,26,27,28)
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n/an/a 38n/an/an/an/an/an/a



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))
BDBM50117299
PNG
(CHEMBL3613605)
Show SMILES COC(=O)c1ccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]cc(C)c23)cc1
Show InChI InChI=1S/C24H30N6O3/c1-16-13-25-20-19(16)21(27-15-26-20)30-11-9-24(10-12-30,14-29(2)3)23(32)28-18-7-5-17(6-8-18)22(31)33-4/h5-8,13,15H,9-12,14H2,1-4H3,(H,28,32)(H,25,26,27)
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n/an/a 41n/an/an/an/an/an/a



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
cAMP-dependent protein kinase (PKA)


(Homo sapiens (Human))
BDBM50117299
PNG
(CHEMBL3613605)
Show SMILES COC(=O)c1ccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]cc(C)c23)cc1
Show InChI InChI=1S/C24H30N6O3/c1-16-13-25-20-19(16)21(27-15-26-20)30-11-9-24(10-12-30,14-29(2)3)23(32)28-18-7-5-17(6-8-18)22(31)33-4/h5-8,13,15H,9-12,14H2,1-4H3,(H,28,32)(H,25,26,27)
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n/an/a 2.70n/an/an/an/an/an/a



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
cAMP-dependent protein kinase (PKA)


(Homo sapiens (Human))
BDBM50117303
PNG
(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)
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n/an/a 81n/an/an/an/an/an/a



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
cAMP-dependent protein kinase (PKA)


(Homo sapiens (Human))
BDBM50117301
PNG
(CHEMBL3613603)
Show SMILES COC(=O)COc1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1
Show InChI InChI=1S/C25H32N6O4/c1-17-13-26-22-21(17)23(28-16-27-22)31-10-8-25(9-11-31,15-30(2)3)24(33)29-18-6-5-7-19(12-18)35-14-20(32)34-4/h5-7,12-13,16H,8-11,14-15H2,1-4H3,(H,29,33)(H,26,27,28)
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n/an/a 5.40n/an/an/an/an/an/a



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
cAMP-dependent protein kinase (PKA)


(Homo sapiens (Human))
BDBM50117302
PNG
(CHEMBL3613602)
Show SMILES COC(=O)c1cccc(NC(=O)C2(CCN(CC2)c2ncnc3[nH]cc(C)c23)N(C)C)c1
Show InChI InChI=1S/C23H28N6O3/c1-15-13-24-19-18(15)20(26-14-25-19)29-10-8-23(9-11-29,28(2)3)22(31)27-17-7-5-6-16(12-17)21(30)32-4/h5-7,12-14H,8-11H2,1-4H3,(H,27,31)(H,24,25,26)
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n/an/a 15n/an/an/an/an/an/a



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 2


(Homo sapiens (Human))
BDBM50117302
PNG
(CHEMBL3613602)
Show SMILES COC(=O)c1cccc(NC(=O)C2(CCN(CC2)c2ncnc3[nH]cc(C)c23)N(C)C)c1
Show InChI InChI=1S/C23H28N6O3/c1-15-13-24-19-18(15)20(26-14-25-19)29-10-8-23(9-11-29,28(2)3)22(31)27-17-7-5-6-16(12-17)21(30)32-4/h5-7,12-14H,8-11H2,1-4H3,(H,27,31)(H,24,25,26)
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n/an/a 12n/an/an/an/an/an/a



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 2


(Homo sapiens (Human))
BDBM50117301
PNG
(CHEMBL3613603)
Show SMILES COC(=O)COc1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1
Show InChI InChI=1S/C25H32N6O4/c1-17-13-26-22-21(17)23(28-16-27-22)31-10-8-25(9-11-31,15-30(2)3)24(33)29-18-6-5-7-19(12-18)35-14-20(32)34-4/h5-7,12-13,16H,8-11,14-15H2,1-4H3,(H,29,33)(H,26,27,28)
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n/an/a<1n/an/an/an/an/an/a



Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of AKT1 (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 2


(Homo sapiens (Human))
BDBM50117299
PNG
(CHEMBL3613605)
Show SMILES COC(=O)c1ccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]cc(C)c23)cc1
Show InChI InChI=1S/C24H30N6O3/c1-16-13-25-20-19(16)21(27-15-26-20)30-11-9-24(10-12-30,14-29(2)3)23(32)28-18-7-5-17(6-8-18)22(31)33-4/h5-8,13,15H,9-12,14H2,1-4H3,(H,28,32)(H,25,26,27)
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n/an/a 7.70n/an/an/an/an/an/a



Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of AKT1 (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 2


(Homo sapiens (Human))
BDBM50117303
PNG
(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)
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n/an/a 7.40n/an/an/an/an/an/a



Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of LIMK2 (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
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50117299
PNG
(CHEMBL3613605)
Show SMILES COC(=O)c1ccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]cc(C)c23)cc1
Show InChI InChI=1S/C24H30N6O3/c1-16-13-25-20-19(16)21(27-15-26-20)30-11-9-24(10-12-30,14-29(2)3)23(32)28-18-7-5-17(6-8-18)22(31)33-4/h5-8,13,15H,9-12,14H2,1-4H3,(H,28,32)(H,25,26,27)
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n/an/a 7.20n/an/an/an/an/an/a



Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (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
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50117302
PNG
(CHEMBL3613602)
Show SMILES COC(=O)c1cccc(NC(=O)C2(CCN(CC2)c2ncnc3[nH]cc(C)c23)N(C)C)c1
Show InChI InChI=1S/C23H28N6O3/c1-15-13-24-19-18(15)20(26-14-25-19)29-10-8-23(9-11-29,28(2)3)22(31)27-17-7-5-6-16(12-17)21(30)32-4/h5-7,12-14H,8-11H2,1-4H3,(H,27,31)(H,24,25,26)
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n/an/a 63n/an/an/an/an/an/a



Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (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
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50117303
PNG
(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)
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n/an/a 100n/an/an/an/an/an/a



Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (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
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50117301
PNG
(CHEMBL3613603)
Show SMILES COC(=O)COc1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1
Show InChI InChI=1S/C25H32N6O4/c1-17-13-26-22-21(17)23(28-16-27-22)31-10-8-25(9-11-31,15-30(2)3)24(33)29-18-6-5-7-19(12-18)35-14-20(32)34-4/h5-7,12-13,16H,8-11,14-15H2,1-4H3,(H,29,33)(H,26,27,28)
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n/an/a 7.90n/an/an/an/an/an/a



Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (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
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50117295
PNG
(CHEMBL3613511)
Show SMILES Brc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1nccs1
Show InChI InChI=1S/C21H18BrN3O2S/c22-18-7-5-17(6-8-18)21(27)25-12-10-24(11-13-25)20(26)16-3-1-15(2-4-16)19-23-9-14-28-19/h1-9,14H,10-13H2
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n/an/a 421n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl (unknown origin) after 60 mins by luminescent kinase assay


Eur J Med Chem 101: 780-9 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.015
BindingDB Entry DOI: 10.7270/Q2X63PQW
More data for this
Ligand-Target Pair