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Found 100 hits with Last Name = 'nuthakki' and Initial = 'vk'   
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
Cholinesterase


(Equus caballus (Horse))		BDBM50556281
PNG
(CHEMBL4790545)
Show SMILES COc1ccc2cc(ccc2c1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
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 150n/an/an/an/an/an/an/an/a


TBA

Assay Description
Mixed type inhibition of equine serum BChE assessed as decrease in Vmax and increase in Km using varying level of S-butyrylthiocholine iodide as subs...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112761
BindingDB Entry DOI: 10.7270/Q2M61PX1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50556281
PNG
(CHEMBL4790545)
Show SMILES COc1ccc2cc(ccc2c1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
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 210n/an/an/an/an/an/an/an/a


TBA

Assay Description
Non-competitive inhibition of recombinant human AChE assessed as decrease in Vmax with constant Km using varying level of acetylthiocholine iodide as...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112761
BindingDB Entry DOI: 10.7270/Q2M61PX1
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM50263013
PNG
(CHEMBL4079206)
Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1c(Cl)cccc1Cl)cc2=O |r|
Show InChI InChI=1S/C23H21Cl2NO5/c1-26-8-7-14(20(30)11-26)21-18(28)10-19(29)22-17(27)9-12(31-23(21)22)5-6-13-15(24)3-2-4-16(13)25/h2-6,9-10,14,20,28-30H,7-8,11H2,1H3/b6-5+/t14-,20+/m0/s1
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n/an/a 1.90n/an/an/an/an/an/a



Medicinal Chemistry Division, CSIR-Indian Institute of Integrative Medicine , Canal Road, Jammu-180001, India.

Curated by ChEMBL


Assay Description
Inhibition of CDK9/cyclin T1 (unknown origin) using YSPTSPSYSPTSPSYSPTSPKKK as substrate after 30 mins in presence of [33P]-gamma-ATP by filter bindi...

J Med Chem 61: 1664-1687 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01765
BindingDB Entry DOI: 10.7270/Q2DV1NC4
More data for this
Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 1


(Homo sapiens (Human))		BDBM50263013
PNG
(CHEMBL4079206)
Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1c(Cl)cccc1Cl)cc2=O |r|
Show InChI InChI=1S/C23H21Cl2NO5/c1-26-8-7-14(20(30)11-26)21-18(28)10-19(29)22-17(27)9-12(31-23(21)22)5-6-13-15(24)3-2-4-16(13)25/h2-6,9-10,14,20,28-30H,7-8,11H2,1H3/b6-5+/t14-,20+/m0/s1
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n/an/a 4.90n/an/an/an/an/an/a



Medicinal Chemistry Division, CSIR-Indian Institute of Integrative Medicine , Canal Road, Jammu-180001, India.

Curated by ChEMBL


Assay Description
Inhibition of CDK1/cyclin A (unknown origin) after 30 mins in presence of [33P]-gamma-ATP by filter binding assay

J Med Chem 61: 1664-1687 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01765
BindingDB Entry DOI: 10.7270/Q2DV1NC4
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM50263041
PNG
(CHEMBL4103469)
Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1c(F)c(F)c(F)c(F)c1F)cc2=O |r|
Show InChI InChI=1S/C23H18F5NO5/c1-29-5-4-10(15(33)8-29)16-13(31)7-14(32)17-12(30)6-9(34-23(16)17)2-3-11-18(24)20(26)22(28)21(27)19(11)25/h2-3,6-7,10,15,31-33H,4-5,8H2,1H3/b3-2+/t10-,15+/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Medicinal Chemistry Division, CSIR-Indian Institute of Integrative Medicine , Canal Road, Jammu-180001, India.

Curated by ChEMBL


Assay Description
Inhibition of CDK9/cyclin T1 (unknown origin) using YSPTSPSYSPTSPSYSPTSPKKK as substrate after 30 mins in presence of [33P]-gamma-ATP by filter bindi...

J Med Chem 61: 1664-1687 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01765
BindingDB Entry DOI: 10.7270/Q2DV1NC4
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM24226
PNG
(1-[(4-fluorophenyl)methyl]-N-{1-[2-(4-methoxypheny...)
Show SMILES COc1ccc(CCN2CCC(CC2)Nc2nc3ccccc3n2Cc2ccc(F)cc2)cc1
Show InChI InChI=1S/C28H31FN4O/c1-34-25-12-8-21(9-13-25)14-17-32-18-15-24(16-19-32)30-28-31-26-4-2-3-5-27(26)33(28)20-22-6-10-23(29)11-7-22/h2-13,24H,14-20H2,1H3,(H,30,31)
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n/an/a 14n/an/an/an/an/an/a



Medicinal Chemistry Division, CSIR-Indian Institute of Integrative Medicine , Canal Road, Jammu-180001, India.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-astemizole binding to human ERG expressed in HEK293 cell membranes by scintillation counting method

J Med Chem 61: 1664-1687 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01765
BindingDB Entry DOI: 10.7270/Q2DV1NC4
More data for this
Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM50263013
PNG
(CHEMBL4079206)
Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1c(Cl)cccc1Cl)cc2=O |r|
Show InChI InChI=1S/C23H21Cl2NO5/c1-26-8-7-14(20(30)11-26)21-18(28)10-19(29)22-17(27)9-12(31-23(21)22)5-6-13-15(24)3-2-4-16(13)25/h2-6,9-10,14,20,28-30H,7-8,11H2,1H3/b6-5+/t14-,20+/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Medicinal Chemistry Division, CSIR-Indian Institute of Integrative Medicine , Canal Road, Jammu-180001, India.

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin A (unknown origin) using histone H1 as substrate after 30 mins in presence of [33P]-gamma-ATP by filter binding assay

J Med Chem 61: 1664-1687 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01765
BindingDB Entry DOI: 10.7270/Q2DV1NC4
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))		BDBM50263013
PNG
(CHEMBL4079206)
Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1c(Cl)cccc1Cl)cc2=O |r|
Show InChI InChI=1S/C23H21Cl2NO5/c1-26-8-7-14(20(30)11-26)21-18(28)10-19(29)22-17(27)9-12(31-23(21)22)5-6-13-15(24)3-2-4-16(13)25/h2-6,9-10,14,20,28-30H,7-8,11H2,1H3/b6-5+/t14-,20+/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Medicinal Chemistry Division, CSIR-Indian Institute of Integrative Medicine , Canal Road, Jammu-180001, India.

Curated by ChEMBL


Assay Description
Inhibition of CDK5/cyclin p25 (unknown origin) after 30 mins in presence of [33P]-gamma-ATP by filter binding assay

J Med Chem 61: 1664-1687 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01765
BindingDB Entry DOI: 10.7270/Q2DV1NC4
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))		BDBM50263013
PNG
(CHEMBL4079206)
Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1c(Cl)cccc1Cl)cc2=O |r|
Show InChI InChI=1S/C23H21Cl2NO5/c1-26-8-7-14(20(30)11-26)21-18(28)10-19(29)22-17(27)9-12(31-23(21)22)5-6-13-15(24)3-2-4-16(13)25/h2-6,9-10,14,20,28-30H,7-8,11H2,1H3/b6-5+/t14-,20+/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Medicinal Chemistry Division, CSIR-Indian Institute of Integrative Medicine , Canal Road, Jammu-180001, India.

Curated by ChEMBL


Assay Description
Inhibition of CDK5/cyclin p35 (unknown origin) after 30 mins in presence of [33P]-gamma-ATP by filter binding assay

J Med Chem 61: 1664-1687 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01765
BindingDB Entry DOI: 10.7270/Q2DV1NC4
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM50193086
PNG
(CHEMBL3969723)
Show SMILES CN1CC[C@H]([C@@H]1CO)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
Show InChI InChI=1S/C21H20ClNO5/c1-23-7-6-12(14(23)10-24)19-15(25)8-16(26)20-17(27)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,14,24-26H,6-7,10H2,1H3/t12-,14+/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Medicinal Chemistry Division, CSIR-Indian Institute of Integrative Medicine , Canal Road, Jammu-180001, India.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant C-terminal 6His-tagged human Cdk9/full-length human Cyclin T1 after 60 mins in presence of [33P]-gamma-ATP by f...

J Med Chem 61: 1664-1687 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01765
BindingDB Entry DOI: 10.7270/Q2DV1NC4
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM5655
PNG
(2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydr...)
Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
Show InChI InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12-,17+/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Medicinal Chemistry Division, CSIR-Indian Institute of Integrative Medicine , Canal Road, Jammu-180001, India.

Curated by ChEMBL


Assay Description
Inhibition of CDK9/cyclin T1 (unknown origin)

J Med Chem 61: 1664-1687 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01765
BindingDB Entry DOI: 10.7270/Q2DV1NC4
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3


(Homo sapiens (Human))		BDBM50263013
PNG
(CHEMBL4079206)
Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1c(Cl)cccc1Cl)cc2=O |r|
Show InChI InChI=1S/C23H21Cl2NO5/c1-26-8-7-14(20(30)11-26)21-18(28)10-19(29)22-17(27)9-12(31-23(21)22)5-6-13-15(24)3-2-4-16(13)25/h2-6,9-10,14,20,28-30H,7-8,11H2,1H3/b6-5+/t14-,20+/m0/s1
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n/an/a 23n/an/an/an/an/an/a



Medicinal Chemistry Division, CSIR-Indian Institute of Integrative Medicine , Canal Road, Jammu-180001, India.

Curated by ChEMBL


Assay Description
Inhibition of CDK4/cyclin D3 (unknown origin) after 30 mins in presence of [33P]-gamma-ATP by filter binding assay

J Med Chem 61: 1664-1687 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01765
BindingDB Entry DOI: 10.7270/Q2DV1NC4
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM50263027
PNG
(CHEMBL4066369)
Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1cccc(F)c1)cc2=O |r|
Show InChI InChI=1S/C23H22FNO5/c1-25-8-7-16(20(29)12-25)21-18(27)11-19(28)22-17(26)10-15(30-23(21)22)6-5-13-3-2-4-14(24)9-13/h2-6,9-11,16,20,27-29H,7-8,12H2,1H3/b6-5+/t16-,20+/m0/s1
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n/an/a 29n/an/an/an/an/an/a



Medicinal Chemistry Division, CSIR-Indian Institute of Integrative Medicine , Canal Road, Jammu-180001, India.

Curated by ChEMBL


Assay Description
Inhibition of CDK9/cyclin T1 (unknown origin) using YSPTSPSYSPTSPSYSPTSPKKK as substrate after 30 mins in presence of [33P]-gamma-ATP by filter bindi...

J Med Chem 61: 1664-1687 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01765
BindingDB Entry DOI: 10.7270/Q2DV1NC4
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1


(Homo sapiens (Human))		BDBM50263013
PNG
(CHEMBL4079206)
Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1c(Cl)cccc1Cl)cc2=O |r|
Show InChI InChI=1S/C23H21Cl2NO5/c1-26-8-7-14(20(30)11-26)21-18(28)10-19(29)22-17(27)9-12(31-23(21)22)5-6-13-15(24)3-2-4-16(13)25/h2-6,9-10,14,20,28-30H,7-8,11H2,1H3/b6-5+/t14-,20+/m0/s1
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n/an/a 45n/an/an/an/an/an/a



Medicinal Chemistry Division, CSIR-Indian Institute of Integrative Medicine , Canal Road, Jammu-180001, India.

Curated by ChEMBL


Assay Description
Inhibition of CDK6/cyclin D1 (unknown origin) after 30 mins in presence of [33P]-gamma-ATP by filter binding assay

J Med Chem 61: 1664-1687 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01765
BindingDB Entry DOI: 10.7270/Q2DV1NC4
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM8960
PNG
((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3
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n/an/a 49n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition and measured ever...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112761
BindingDB Entry DOI: 10.7270/Q2M61PX1
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))		BDBM50193086
PNG
(CHEMBL3969723)
Show SMILES CN1CC[C@H]([C@@H]1CO)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
Show InChI InChI=1S/C21H20ClNO5/c1-23-7-6-12(14(23)10-24)19-15(25)8-16(26)20-17(27)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,14,24-26H,6-7,10H2,1H3/t12-,14+/m1/s1
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n/an/a 63n/an/an/an/an/an/a



Medicinal Chemistry Division, CSIR-Indian Institute of Integrative Medicine , Canal Road, Jammu-180001, India.

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged CDK4/cyclin D1 expressed in baculovirus infected insect Sf9 cells after 30 mins in presence of [32P]-gamma-ATP by scin...

J Med Chem 61: 1664-1687 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01765
BindingDB Entry DOI: 10.7270/Q2DV1NC4
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM50263011
PNG
(CHEMBL4100359)
Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1ccccc1)cc2=O |r|
Show InChI InChI=1S/C23H23NO5/c1-24-10-9-16(20(28)13-24)21-18(26)12-19(27)22-17(25)11-15(29-23(21)22)8-7-14-5-3-2-4-6-14/h2-8,11-12,16,20,26-28H,9-10,13H2,1H3/b8-7+/t16-,20+/m0/s1
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n/an/a 66n/an/an/an/an/an/a



Medicinal Chemistry Division, CSIR-Indian Institute of Integrative Medicine , Canal Road, Jammu-180001, India.

Curated by ChEMBL


Assay Description
Inhibition of CDK9/cyclin T1 (unknown origin) using YSPTSPSYSPTSPSYSPTSPKKK as substrate after 30 mins in presence of [33P]-gamma-ATP by filter bindi...

J Med Chem 61: 1664-1687 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01765
BindingDB Entry DOI: 10.7270/Q2DV1NC4
More data for this
Ligand-Target Pair
Cyclin-dependent kinase/G1/S-specific cyclin- 1


(Homo sapiens (Human))		BDBM50263013
PNG
(CHEMBL4079206)
Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1c(Cl)cccc1Cl)cc2=O |r|
Show InChI InChI=1S/C23H21Cl2NO5/c1-26-8-7-14(20(30)11-26)21-18(28)10-19(29)22-17(27)9-12(31-23(21)22)5-6-13-15(24)3-2-4-16(13)25/h2-6,9-10,14,20,28-30H,7-8,11H2,1H3/b6-5+/t14-,20+/m0/s1
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n/an/a 76n/an/an/an/an/an/a



Medicinal Chemistry Division, CSIR-Indian Institute of Integrative Medicine , Canal Road, Jammu-180001, India.

Curated by ChEMBL


Assay Description
Inhibition of CDK1/cyclin E (unknown origin) after 30 mins in presence of [33P]-gamma-ATP by filter binding assay

J Med Chem 61: 1664-1687 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01765
BindingDB Entry DOI: 10.7270/Q2DV1NC4
More data for this
Ligand-Target Pair
Cyclin-O/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM50263013
PNG
(CHEMBL4079206)
Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1c(Cl)cccc1Cl)cc2=O |r|
Show InChI InChI=1S/C23H21Cl2NO5/c1-26-8-7-14(20(30)11-26)21-18(28)10-19(29)22-17(27)9-12(31-23(21)22)5-6-13-15(24)3-2-4-16(13)25/h2-6,9-10,14,20,28-30H,7-8,11H2,1H3/b6-5+/t14-,20+/m0/s1
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n/an/a 138n/an/an/an/an/an/a



Medicinal Chemistry Division, CSIR-Indian Institute of Integrative Medicine , Canal Road, Jammu-180001, India.

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin O (unknown origin) after 30 mins in presence of [33P]-gamma-ATP by filter binding assay

J Med Chem 61: 1664-1687 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01765
BindingDB Entry DOI: 10.7270/Q2DV1NC4
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM50263045
PNG
(CHEMBL4074270)
Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1ccccc1Cl)cc2=O |r|
Show InChI InChI=1S/C23H22ClNO5/c1-25-9-8-15(20(29)12-25)21-18(27)11-19(28)22-17(26)10-14(30-23(21)22)7-6-13-4-2-3-5-16(13)24/h2-7,10-11,15,20,27-29H,8-9,12H2,1H3/b7-6+/t15-,20+/m0/s1
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n/an/a 160n/an/an/an/an/an/a



Medicinal Chemistry Division, CSIR-Indian Institute of Integrative Medicine , Canal Road, Jammu-180001, India.

Curated by ChEMBL


Assay Description
Inhibition of CDK9/cyclin T1 (unknown origin) using YSPTSPSYSPTSPSYSPTSPKKK as substrate after 30 mins in presence of [33P]-gamma-ATP by filter bindi...

J Med Chem 61: 1664-1687 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01765
BindingDB Entry DOI: 10.7270/Q2DV1NC4
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50556281
PNG
(CHEMBL4790545)
Show SMILES COc1ccc2cc(ccc2c1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
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n/an/a 170n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human AChE

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112761
BindingDB Entry DOI: 10.7270/Q2M61PX1
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3


(Homo sapiens (Human))		BDBM50263013
PNG
(CHEMBL4079206)
Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1c(Cl)cccc1Cl)cc2=O |r|
Show InChI InChI=1S/C23H21Cl2NO5/c1-26-8-7-14(20(30)11-26)21-18(28)10-19(29)22-17(27)9-12(31-23(21)22)5-6-13-15(24)3-2-4-16(13)25/h2-6,9-10,14,20,28-30H,7-8,11H2,1H3/b6-5+/t14-,20+/m0/s1
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n/an/a 199n/an/an/an/an/an/a



Medicinal Chemistry Division, CSIR-Indian Institute of Integrative Medicine , Canal Road, Jammu-180001, India.

Curated by ChEMBL


Assay Description
Inhibition of CDK6/cyclin D3 (unknown origin) after 30 mins in presence of [33P]-gamma-ATP by filter binding assay

J Med Chem 61: 1664-1687 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01765
BindingDB Entry DOI: 10.7270/Q2DV1NC4
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50556282
PNG
(CHEMBL4747531)
Show SMILES [Br-].CCOc1ccc(cc1)C(=O)Nc1cc[n+](Cc2ccccc2)cc1
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n/an/a 201n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition and measured ever...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112761
BindingDB Entry DOI: 10.7270/Q2M61PX1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50556301
PNG
(CHEMBL4781581)
Show SMILES [Br-].COc1cc(OC)cc(c1)C(=O)Nc1cc[n+](Cc2ccccc2)cc1
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n/an/a 202n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition and measured ever...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112761
BindingDB Entry DOI: 10.7270/Q2M61PX1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50556286
PNG
(CHEMBL4747308)
Show SMILES [Br-].COc1ccc2cc(ccc2c1)C(=O)Nc1cc[n+](Cc2ccccc2F)cc1
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n/an/a 210n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition and measured ever...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112761
BindingDB Entry DOI: 10.7270/Q2M61PX1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50556287
PNG
(CHEMBL4792532)
Show SMILES [Cl-].COc1ccc2cc(ccc2c1)C(=O)Nc1cc[n+](Cc2ccc(F)cc2)cc1
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n/an/a 210n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition and measured ever...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112761
BindingDB Entry DOI: 10.7270/Q2M61PX1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50556304
PNG
(CHEMBL4798698)
Show SMILES [Br-].COc1ccc(cc1)C(=O)Nc1cc[n+](Cc2ccccc2)cc1
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n/an/a 216n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition and measured ever...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112761
BindingDB Entry DOI: 10.7270/Q2M61PX1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50556283
PNG
(CHEMBL4746835)
Show SMILES [Br-].COc1ccc2cc(ccc2c1)C(=O)Nc1cc[n+](Cc2ccccc2)cc1
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n/an/a 218n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition and measured ever...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112761
BindingDB Entry DOI: 10.7270/Q2M61PX1
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM50263030
PNG
(CHEMBL4094775)
Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1ccccc1F)cc2=O |r|
Show InChI InChI=1S/C23H22FNO5/c1-25-9-8-15(20(29)12-25)21-18(27)11-19(28)22-17(26)10-14(30-23(21)22)7-6-13-4-2-3-5-16(13)24/h2-7,10-11,15,20,27-29H,8-9,12H2,1H3/b7-6+/t15-,20+/m0/s1
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n/an/a 260n/an/an/an/an/an/a



Medicinal Chemistry Division, CSIR-Indian Institute of Integrative Medicine , Canal Road, Jammu-180001, India.

Curated by ChEMBL


Assay Description
Inhibition of CDK9/cyclin T1 (unknown origin) using YSPTSPSYSPTSPSYSPTSPKKK as substrate after 30 mins in presence of [33P]-gamma-ATP by filter bindi...

J Med Chem 61: 1664-1687 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01765
BindingDB Entry DOI: 10.7270/Q2DV1NC4
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM50263012
PNG
(CHEMBL4065874)
Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1cccc(Cl)c1)cc2=O |r|
Show InChI InChI=1S/C23H22ClNO5/c1-25-8-7-16(20(29)12-25)21-18(27)11-19(28)22-17(26)10-15(30-23(21)22)6-5-13-3-2-4-14(24)9-13/h2-6,9-11,16,20,27-29H,7-8,12H2,1H3/b6-5+/t16-,20+/m0/s1
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n/an/a 280n/an/an/an/an/an/a



Medicinal Chemistry Division, CSIR-Indian Institute of Integrative Medicine , Canal Road, Jammu-180001, India.

Curated by ChEMBL


Assay Description
Inhibition of CDK9/cyclin T1 (unknown origin) using YSPTSPSYSPTSPSYSPTSPKKK as substrate after 30 mins in presence of [33P]-gamma-ATP by filter bindi...

J Med Chem 61: 1664-1687 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01765
BindingDB Entry DOI: 10.7270/Q2DV1NC4
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50556295
PNG
(CHEMBL4794984)
Show SMILES [Br-].COc1ccc2cc(ccc2c1)C(=O)NCCc1cc[n+](Cc2ccccc2[N+]([O-])=O)cc1
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n/an/a 280n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition and measured ever...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112761
BindingDB Entry DOI: 10.7270/Q2M61PX1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50556293
PNG
(CHEMBL4743596)
Show SMILES [Br-].COc1ccc2cc(ccc2c1)C(=O)NCCc1cc[n+](Cc2ccccc2F)cc1
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n/an/a 280n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition and measured ever...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112761
BindingDB Entry DOI: 10.7270/Q2M61PX1
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM50189885
PNG
(Rohitukine)
Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(C)cc2=O |r|
Show InChI InChI=1S/C16H19NO5/c1-8-5-10(18)15-12(20)6-11(19)14(16(15)22-8)9-3-4-17(2)7-13(9)21/h5-6,9,13,19-21H,3-4,7H2,1-2H3/t9-,13+/m0/s1
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n/an/a 300n/an/an/an/an/an/a



Medicinal Chemistry Division, CSIR-Indian Institute of Integrative Medicine , Canal Road, Jammu-180001, India.

Curated by ChEMBL


Assay Description
Inhibition of CDK9/cyclin T1 (unknown origin) using YSPTSPSYSPTSPSYSPTSPKKK as substrate after 30 mins in presence of [33P]-gamma-ATP by filter bindi...

J Med Chem 61: 1664-1687 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01765
BindingDB Entry DOI: 10.7270/Q2DV1NC4
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM50263031
PNG
(CHEMBL4105395)
Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1ccc(Cl)cc1)cc2=O |r|
Show InChI InChI=1S/C23H22ClNO5/c1-25-9-8-16(20(29)12-25)21-18(27)11-19(28)22-17(26)10-15(30-23(21)22)7-4-13-2-5-14(24)6-3-13/h2-7,10-11,16,20,27-29H,8-9,12H2,1H3/b7-4+/t16-,20+/m0/s1
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n/an/a 310n/an/an/an/an/an/a



Medicinal Chemistry Division, CSIR-Indian Institute of Integrative Medicine , Canal Road, Jammu-180001, India.

Curated by ChEMBL


Assay Description
Inhibition of CDK9/cyclin T1 (unknown origin) using YSPTSPSYSPTSPSYSPTSPKKK as substrate after 30 mins in presence of [33P]-gamma-ATP by filter bindi...

J Med Chem 61: 1664-1687 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01765
BindingDB Entry DOI: 10.7270/Q2DV1NC4
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50556284
PNG
(CHEMBL4761420)
Show SMILES [Cl-].COc1ccc2cc(ccc2c1)C(=O)Nc1cc[n+](Cc2ccccc2Cl)cc1
UniProtKB/SwissProt

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n/an/a 340n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition and measured ever...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112761
BindingDB Entry DOI: 10.7270/Q2M61PX1
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM50263014
PNG
(CHEMBL4087077)
Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1c3ccccc3cc3ccccc13)cc2=O |r|
Show InChI InChI=1S/C31H27NO5/c1-32-13-12-24(28(36)17-32)29-26(34)16-27(35)30-25(33)15-20(37-31(29)30)10-11-23-21-8-4-2-6-18(21)14-19-7-3-5-9-22(19)23/h2-11,14-16,24,28,34-36H,12-13,17H2,1H3/b11-10+/t24-,28+/m0/s1
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n/an/a 350n/an/an/an/an/an/a



Medicinal Chemistry Division, CSIR-Indian Institute of Integrative Medicine , Canal Road, Jammu-180001, India.

Curated by ChEMBL


Assay Description
Inhibition of CDK9/cyclin T1 (unknown origin) using YSPTSPSYSPTSPSYSPTSPKKK as substrate after 30 mins in presence of [33P]-gamma-ATP by filter bindi...

J Med Chem 61: 1664-1687 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01765
BindingDB Entry DOI: 10.7270/Q2DV1NC4
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50556297
PNG
(CHEMBL4752463)
Show SMILES [Br-].O=C(Nc1cc[n+](Cc2ccccc2)cc1)c1ccc(OCc2ccccc2)cc1
UniProtKB/SwissProt

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n/an/a 360n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition and measured ever...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112761
BindingDB Entry DOI: 10.7270/Q2M61PX1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50556281
PNG
(CHEMBL4790545)
Show SMILES COc1ccc2cc(ccc2c1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
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n/an/a 410n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition and measured ever...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112761
BindingDB Entry DOI: 10.7270/Q2M61PX1
More data for this
Ligand-Target Pair
Cyclin-K/Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM50263013
PNG
(CHEMBL4079206)
Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1c(Cl)cccc1Cl)cc2=O |r|
Show InChI InChI=1S/C23H21Cl2NO5/c1-26-8-7-14(20(30)11-26)21-18(28)10-19(29)22-17(27)9-12(31-23(21)22)5-6-13-15(24)3-2-4-16(13)25/h2-6,9-10,14,20,28-30H,7-8,11H2,1H3/b6-5+/t14-,20+/m0/s1
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Medicinal Chemistry Division, CSIR-Indian Institute of Integrative Medicine , Canal Road, Jammu-180001, India.

Curated by ChEMBL


Assay Description
Inhibition of CDK9/cyclin K (unknown origin) after 30 mins in presence of [33P]-gamma-ATP by filter binding assay

J Med Chem 61: 1664-1687 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01765
BindingDB Entry DOI: 10.7270/Q2DV1NC4
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50556300
PNG
(CHEMBL4777033)
Show SMILES [Br-].COc1ccc(cc1OC)C(=O)Nc1cc[n+](Cc2ccccc2)cc1
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n/an/a 420n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition and measured ever...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112761
BindingDB Entry DOI: 10.7270/Q2M61PX1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50556299
PNG
(CHEMBL4777643)
Show SMILES [Br-].COc1ccc2cc(ccc2c1)C(=O)Nc1cc[n+](Cc2ccccc2C)cc1
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n/an/a 435n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition and measured ever...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112761
BindingDB Entry DOI: 10.7270/Q2M61PX1
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))		BDBM50176906
PNG
(CHEMBL219728 | N'-(10H-indolo[3,2-b]quinolin-11-yl...)
Show SMILES CN(C)CCCNc1c2[nH]c3ccccc3c2nc2ccccc12
Show InChI InChI=1S/C20H22N4/c1-24(2)13-7-12-21-18-14-8-3-5-10-16(14)22-19-15-9-4-6-11-17(15)23-20(18)19/h3-6,8-11,23H,7,12-13H2,1-2H3,(H,21,22)
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n/an/a 440n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113938
BindingDB Entry DOI: 10.7270/Q22J6GV1
More data for this
Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM50263027
PNG
(CHEMBL4066369)
Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1cccc(F)c1)cc2=O |r|
Show InChI InChI=1S/C23H22FNO5/c1-25-8-7-16(20(29)12-25)21-18(27)11-19(28)22-17(26)10-15(30-23(21)22)6-5-13-3-2-4-14(24)9-13/h2-6,9-11,16,20,27-29H,7-8,12H2,1H3/b6-5+/t16-,20+/m0/s1
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n/an/a 466n/an/an/an/an/an/a



Medicinal Chemistry Division, CSIR-Indian Institute of Integrative Medicine , Canal Road, Jammu-180001, India.

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin A (unknown origin) using histone H1 as substrate after 30 mins in presence of [33P]-gamma-ATP by filter binding assay

J Med Chem 61: 1664-1687 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01765
BindingDB Entry DOI: 10.7270/Q2DV1NC4
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50556305
PNG
(CHEMBL4758540)
Show SMILES [Br-].O=C(Nc1cc[n+](Cc2ccccc2)cc1)c1ccc(cc1)C#N
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n/an/a 469n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition and measured ever...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112761
BindingDB Entry DOI: 10.7270/Q2M61PX1
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50556281
PNG
(CHEMBL4790545)
Show SMILES COc1ccc2cc(ccc2c1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
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MCE
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n/an/a 470n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of equine serum BChE using S-butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition and measured e...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112761
BindingDB Entry DOI: 10.7270/Q2M61PX1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50556288
PNG
(CHEMBL4758613)
Show SMILES [Br-].COc1ccc2cc(ccc2c1)C(=O)Nc1cc[n+](Cc2ccccc2[N+]([O-])=O)cc1
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n/an/a 480n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition and measured ever...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112761
BindingDB Entry DOI: 10.7270/Q2M61PX1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50556291
PNG
(CHEMBL4777638)
Show SMILES [Cl-].COc1ccc2cc(ccc2c1)C(=O)NCCc1cc[n+](Cc2ccccc2Cl)cc1
UniProtKB/SwissProt

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n/an/a 500n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition and measured ever...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112761
BindingDB Entry DOI: 10.7270/Q2M61PX1
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))		BDBM50591687
PNG
(CHEMBL225340)
Show SMILES C(CN1CCOCC1)Nc1c2[nH]c3ccccc3c2nc2ccccc12
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Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113938
BindingDB Entry DOI: 10.7270/Q22J6GV1
More data for this
Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM50263041
PNG
(CHEMBL4103469)
Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1c(F)c(F)c(F)c(F)c1F)cc2=O |r|
Show InChI InChI=1S/C23H18F5NO5/c1-29-5-4-10(15(33)8-29)16-13(31)7-14(32)17-12(30)6-9(34-23(16)17)2-3-11-18(24)20(26)22(28)21(27)19(11)25/h2-3,6-7,10,15,31-33H,4-5,8H2,1H3/b3-2+/t10-,15+/m0/s1
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n/an/a 608n/an/an/an/an/an/a



Medicinal Chemistry Division, CSIR-Indian Institute of Integrative Medicine , Canal Road, Jammu-180001, India.

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin A (unknown origin) using histone H1 as substrate after 30 mins in presence of [33P]-gamma-ATP by filter binding assay

J Med Chem 61: 1664-1687 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01765
BindingDB Entry DOI: 10.7270/Q2DV1NC4
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50556292
PNG
(CHEMBL4753568)
Show SMILES [Cl-].COc1ccc2cc(ccc2c1)C(=O)NCCc1cc[n+](Cc2cccc(Cl)c2)cc1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
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UniChem
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n/an/a 610n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition and measured ever...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112761
BindingDB Entry DOI: 10.7270/Q2M61PX1
More data for this
Ligand-Target Pair
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