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PubMed code 26486317

Compile data set for download or QSAR
Found 9 hits of Enzyme Inhibition Constant Data   
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
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM186204
PNG
(US9163013, 21)
Show SMILES COc1ccncc1-c1ccc2[nH]nc(C(=O)NCC3CCN(Cc4ccc(o4)C(O)=O)CC3)c2c1
Show InChI InChI=1S/C26H27N5O5/c1-35-22-6-9-27-14-20(22)17-2-4-21-19(12-17)24(30-29-21)25(32)28-13-16-7-10-31(11-8-16)15-18-3-5-23(36-18)26(33)34/h2-6,9,12,14,16H,7-8,10-11,13,15H2,1H3,(H,28,32)(H,29,30)(H,33,34)
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n/an/a 9.60n/an/an/an/an/an/a



Angelini S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK-3beta using Ulight-CFFKNIVTPRTPPPSQQGK-amide as substrate after 90 mins by LANCE assay

J Med Chem 58: 8920-37 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01208
BindingDB Entry DOI: 10.7270/Q2416ZX5
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM186202
PNG
(US9163013, 19)
Show SMILES OC(=O)c1ccc(CN2CCC(CNC(=O)c3n[nH]c4ccc(cc34)-c3cccc(F)c3F)CC2)o1
Show InChI InChI=1S/C26H24F2N4O4/c27-20-3-1-2-18(23(20)28)16-4-6-21-19(12-16)24(31-30-21)25(33)29-13-15-8-10-32(11-9-15)14-17-5-7-22(36-17)26(34)35/h1-7,12,15H,8-11,13-14H2,(H,29,33)(H,30,31)(H,34,35)
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n/an/a 12n/an/an/an/an/an/a



Angelini S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK-3beta using Ulight-CFFKNIVTPRTPPPSQQGK-amide as substrate after 90 mins by LANCE assay

J Med Chem 58: 8920-37 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01208
BindingDB Entry DOI: 10.7270/Q2416ZX5
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM186200
PNG
(US9163013, 17)
Show SMILES COc1ccc(cn1)-c1ccc2[nH]nc(C(=O)NCC3CCN(Cc4ccc(o4)C(O)=O)CC3)c2c1
Show InChI InChI=1S/C26H27N5O5/c1-35-23-7-3-18(14-27-23)17-2-5-21-20(12-17)24(30-29-21)25(32)28-13-16-8-10-31(11-9-16)15-19-4-6-22(36-19)26(33)34/h2-7,12,14,16H,8-11,13,15H2,1H3,(H,28,32)(H,29,30)(H,33,34)
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n/an/a 21n/an/an/an/an/an/a



Angelini S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK-3beta using Ulight-CFFKNIVTPRTPPPSQQGK-amide as substrate after 90 mins by LANCE assay

J Med Chem 58: 8920-37 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01208
BindingDB Entry DOI: 10.7270/Q2416ZX5
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50134914
PNG
(CHEMBL3735730)
Show SMILES [Na+].[O-]C(=O)c1ccc(CN2CCC(CNC(=O)c3n[nH]c4ccc(Br)cc34)CC2)o1
Show InChI InChI=1S/C20H21BrN4O4.Na/c21-13-1-3-16-15(9-13)18(24-23-16)19(26)22-10-12-5-7-25(8-6-12)11-14-2-4-17(29-14)20(27)28;/h1-4,9,12H,5-8,10-11H2,(H,22,26)(H,23,24)(H,27,28);/q;+1/p-1
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n/an/a 210n/an/an/an/an/an/a



Angelini S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK-3beta using Ulight-CFFKNIVTPRTPPPSQQGK-amide as substrate after 90 mins by LANCE assay

J Med Chem 58: 8920-37 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01208
BindingDB Entry DOI: 10.7270/Q2416ZX5
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 7


(Homo sapiens (Human))		BDBM50134187
PNG
(CHEMBL3735506 | US11472795, Example C | US9611249,...)
Show SMILES COCCN1CCC(CNC(=O)c2n[nH]c3ccc(cc23)-c2cccc(F)c2F)CC1
Show InChI InChI=1S/C23H26F2N4O2/c1-31-12-11-29-9-7-15(8-10-29)14-26-23(30)22-18-13-16(5-6-20(18)27-28-22)17-3-2-4-19(24)21(17)25/h2-6,13,15H,7-12,14H2,1H3,(H,26,30)(H,27,28)
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n/an/a 220n/an/an/an/an/an/a



Angelini S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ERK5 by LANCE assay

J Med Chem 58: 8920-37 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01208
BindingDB Entry DOI: 10.7270/Q2416ZX5
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM186201
PNG
(US9163013, 18)
Show SMILES COc1ccc(cc1)-c1ccc2[nH]nc(C(=O)NCC3CCN(Cc4ccc(o4)C(O)=O)CC3)c2c1
Show InChI InChI=1S/C27H28N4O5/c1-35-20-5-2-18(3-6-20)19-4-8-23-22(14-19)25(30-29-23)26(32)28-15-17-10-12-31(13-11-17)16-21-7-9-24(36-21)27(33)34/h2-9,14,17H,10-13,15-16H2,1H3,(H,28,32)(H,29,30)(H,33,34)
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n/an/a 300n/an/an/an/an/an/a



Angelini S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK-3beta using Ulight-CFFKNIVTPRTPPPSQQGK-amide as substrate after 90 mins by LANCE assay

J Med Chem 58: 8920-37 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01208
BindingDB Entry DOI: 10.7270/Q2416ZX5
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 1


(Homo sapiens (Human))		BDBM50134187
PNG
(CHEMBL3735506 | US11472795, Example C | US9611249,...)
Show SMILES COCCN1CCC(CNC(=O)c2n[nH]c3ccc(cc23)-c2cccc(F)c2F)CC1
Show InChI InChI=1S/C23H26F2N4O2/c1-31-12-11-29-9-7-15(8-10-29)14-26-23(30)22-18-13-16(5-6-20(18)27-28-22)17-3-2-4-19(24)21(17)25/h2-6,13,15H,7-12,14H2,1H3,(H,26,30)(H,27,28)
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n/an/a 530n/an/an/an/an/an/a



Angelini S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GRK2 by LANCE assay

J Med Chem 58: 8920-37 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01208
BindingDB Entry DOI: 10.7270/Q2416ZX5
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 2


(Homo sapiens (Human))		BDBM50134187
PNG
(CHEMBL3735506 | US11472795, Example C | US9611249,...)
Show SMILES COCCN1CCC(CNC(=O)c2n[nH]c3ccc(cc23)-c2cccc(F)c2F)CC1
Show InChI InChI=1S/C23H26F2N4O2/c1-31-12-11-29-9-7-15(8-10-29)14-26-23(30)22-18-13-16(5-6-20(18)27-28-22)17-3-2-4-19(24)21(17)25/h2-6,13,15H,7-12,14H2,1H3,(H,26,30)(H,27,28)
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n/an/a 530n/an/an/an/an/an/a



Angelini S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DYRK2 by LANCE assay

J Med Chem 58: 8920-37 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01208
BindingDB Entry DOI: 10.7270/Q2416ZX5
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50134188
PNG
(CHEMBL3735095)
Show SMILES CCOC(=O)CN1CCC(CNC(=O)c2n[nH]c3ccc(Br)cc23)CC1
Show InChI InChI=1S/C18H23BrN4O3/c1-2-26-16(24)11-23-7-5-12(6-8-23)10-20-18(25)17-14-9-13(19)3-4-15(14)21-22-17/h3-4,9,12H,2,5-8,10-11H2,1H3,(H,20,25)(H,21,22)
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n/an/a 530n/an/an/an/an/an/a



Angelini S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK-3beta using Ulight-CFFKNIVTPRTPPPSQQGK-amide as substrate after 90 mins by LANCE assay

J Med Chem 58: 8920-37 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01208
BindingDB Entry DOI: 10.7270/Q2416ZX5
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%