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Compile Data Set for Download or QSAR

Found 17 hits Enz. Inhib. hit(s) with Target = 'Nuclear factor of activated T-cells, cytoplasmic 1'   
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
Nuclear factor of activated T-cells, cytoplasmic 1


(Homo sapiens)
BDBM50595362
PNG
(CHEMBL5174163)
Show SMILES Cc1ccc(s1)C(=O)NCC(=O)Nc1cc(ccc1Cl)S(=O)(=O)Nc1ccc(Cl)cc1
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n/an/a 4.50E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114514
BindingDB Entry DOI: 10.7270/Q2M049GQ
More data for this
Ligand-Target Pair
Nuclear factor of activated T-cells, cytoplasmic 1


(Homo sapiens)
BDBM50595363
PNG
(CHEMBL5195853)
Show SMILES CS(=O)(=O)NCc1cccc(NC(=O)c2ccc3[nH]ccc3c2)c1
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n/an/a 1.16E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114514
BindingDB Entry DOI: 10.7270/Q2M049GQ
More data for this
Ligand-Target Pair
Nuclear factor of activated T-cells, cytoplasmic 1


(Homo sapiens)
BDBM50595364
PNG
(CHEMBL5181607)
Show SMILES CS(=O)(=O)NCc1cccc(NC(=O)c2csc3ccccc23)c1
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n/an/a 1.87E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114514
BindingDB Entry DOI: 10.7270/Q2M049GQ
More data for this
Ligand-Target Pair
Nuclear factor of activated T-cells, cytoplasmic 1


(Homo sapiens)
BDBM50251457
PNG
(CHEMBL4105629)
Show SMILES C(Cn1cc(-c2ccncc2)c2ccncc12)C1CC1
Show InChI InChI=1S/C17H17N3/c1-2-13(1)6-10-20-12-16(14-3-7-18-8-4-14)15-5-9-19-11-17(15)20/h3-5,7-9,11-13H,1-2,6,10H2
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n/an/an/an/a 1.59E+3n/an/an/an/a



Rigel Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Induction of nuclear translocation of human GFP-tagged NFATc1 expressed in virus infected primary human skeletal muscle myoblasts after 3 hrs by DAPI...


Bioorg Med Chem Lett 27: 2617-2621 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.037
BindingDB Entry DOI: 10.7270/Q2SN0CFP
More data for this
Ligand-Target Pair
Nuclear factor of activated T-cells, cytoplasmic 1


(Homo sapiens)
BDBM50251476
PNG
(CHEMBL4095674)
Show SMILES C(CN1CCOCC1)Cn1cc(-c2ccncc2)c2ccncc12
Show InChI InChI=1S/C19H22N4O/c1(8-22-10-12-24-13-11-22)9-23-15-18(16-2-5-20-6-3-16)17-4-7-21-14-19(17)23/h2-7,14-15H,1,8-13H2
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n/an/an/an/a 6.96E+3n/an/an/an/a



Rigel Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Induction of nuclear translocation of human GFP-tagged NFATc1 expressed in virus infected primary human skeletal muscle myoblasts after 3 hrs by DAPI...


Bioorg Med Chem Lett 27: 2617-2621 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.037
BindingDB Entry DOI: 10.7270/Q2SN0CFP
More data for this
Ligand-Target Pair
Nuclear factor of activated T-cells, cytoplasmic 1


(Homo sapiens)
BDBM50251477
PNG
(CHEMBL4075648)
Show SMILES Clc1cnccc1-c1c[nH]c2cnccc12
Show InChI InChI=1S/C12H8ClN3/c13-11-6-14-3-1-8(11)10-5-16-12-7-15-4-2-9(10)12/h1-7,16H
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n/an/an/an/a 5.31E+3n/an/an/an/a



Rigel Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Induction of nuclear translocation of human GFP-tagged NFATc1 expressed in virus infected primary human skeletal muscle myoblasts after 3 hrs by DAPI...


Bioorg Med Chem Lett 27: 2617-2621 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.037
BindingDB Entry DOI: 10.7270/Q2SN0CFP
More data for this
Ligand-Target Pair
Nuclear factor of activated T-cells, cytoplasmic 1


(Homo sapiens)
BDBM50251475
PNG
(CHEMBL4090889)
Show SMILES COc1cccc2c(c[nH]c12)-c1ccnc(N)n1
Show InChI InChI=1S/C13H12N4O/c1-18-11-4-2-3-8-9(7-16-12(8)11)10-5-6-15-13(14)17-10/h2-7,16H,1H3,(H2,14,15,17)
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n/an/an/an/a 9.80E+3n/an/an/an/a



Rigel Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Induction of nuclear translocation of human GFP-tagged NFATc1 expressed in virus infected primary human skeletal muscle myoblasts after 3 hrs by DAPI...


Bioorg Med Chem Lett 27: 2617-2621 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.037
BindingDB Entry DOI: 10.7270/Q2SN0CFP
More data for this
Ligand-Target Pair
Nuclear factor of activated T-cells, cytoplasmic 1


(Homo sapiens)
BDBM50251486
PNG
(CHEMBL4066607)
Show SMILES c1[nH]c2cnccc2c1-c1ccnc2ccccc12
Show InChI InChI=1S/C16H11N3/c1-2-4-15-12(3-1)11(6-8-18-15)14-9-19-16-10-17-7-5-13(14)16/h1-10,19H
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n/an/an/an/a 4.30E+4n/an/an/an/a



Rigel Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Induction of nuclear translocation of human GFP-tagged NFATc1 expressed in virus infected primary human skeletal muscle myoblasts after 3 hrs by DAPI...


Bioorg Med Chem Lett 27: 2617-2621 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.037
BindingDB Entry DOI: 10.7270/Q2SN0CFP
More data for this
Ligand-Target Pair
Nuclear factor of activated T-cells, cytoplasmic 1


(Homo sapiens)
BDBM50251504
PNG
(CHEMBL4098505)
Show SMILES Fc1cc(ccn1)-c1c[nH]c2cnccc12
Show InChI InChI=1S/C12H8FN3/c13-12-5-8(1-4-15-12)10-6-16-11-7-14-3-2-9(10)11/h1-7,16H
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n/an/an/an/a 4.85E+3n/an/an/an/a



Rigel Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Induction of nuclear translocation of human GFP-tagged NFATc1 expressed in virus infected primary human skeletal muscle myoblasts after 3 hrs by DAPI...


Bioorg Med Chem Lett 27: 2617-2621 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.037
BindingDB Entry DOI: 10.7270/Q2SN0CFP
More data for this
Ligand-Target Pair
Nuclear factor of activated T-cells, cytoplasmic 1


(Homo sapiens)
BDBM50251456
PNG
(CHEMBL4084955)
Show SMILES c1[nH]c2cnccc2c1-c1ccncc1
Show InChI InChI=1S/C12H9N3/c1-4-13-5-2-9(1)11-7-15-12-8-14-6-3-10(11)12/h1-8,15H
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n/an/an/an/a 2.98E+3n/an/an/an/a



Rigel Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Induction of nuclear translocation of human GFP-tagged NFATc1 expressed in virus infected primary human skeletal muscle myoblasts after 3 hrs by DAPI...


Bioorg Med Chem Lett 27: 2617-2621 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.037
BindingDB Entry DOI: 10.7270/Q2SN0CFP
More data for this
Ligand-Target Pair
Nuclear factor of activated T-cells, cytoplasmic 1


(Homo sapiens)
BDBM50251509
PNG
(CHEMBL4064316)
Show SMILES CC(C)n1cc(-c2ccncc2)c2ccncc12
Show InChI InChI=1S/C15H15N3/c1-11(2)18-10-14(12-3-6-16-7-4-12)13-5-8-17-9-15(13)18/h3-11H,1-2H3
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n/an/an/an/a 310n/an/an/an/a



Rigel Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Induction of nuclear translocation of human GFP-tagged NFATc1 expressed in virus infected primary human skeletal muscle myoblasts after 3 hrs by DAPI...


Bioorg Med Chem Lett 27: 2617-2621 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.037
BindingDB Entry DOI: 10.7270/Q2SN0CFP
More data for this
Ligand-Target Pair
Nuclear factor of activated T-cells, cytoplasmic 1


(Homo sapiens)
BDBM50251478
PNG
(CHEMBL4072138)
Show SMILES Nc1nccc(n1)-c1c[nH]c2c(cccc12)C#N
Show InChI InChI=1S/C13H9N5/c14-6-8-2-1-3-9-10(7-17-12(8)9)11-4-5-16-13(15)18-11/h1-5,7,17H,(H2,15,16,18)
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n/an/an/an/a 2.17E+4n/an/an/an/a



Rigel Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Induction of nuclear translocation of human GFP-tagged NFATc1 expressed in virus infected primary human skeletal muscle myoblasts after 3 hrs by DAPI...


Bioorg Med Chem Lett 27: 2617-2621 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.037
BindingDB Entry DOI: 10.7270/Q2SN0CFP
More data for this
Ligand-Target Pair
Nuclear factor of activated T-cells, cytoplasmic 1


(Homo sapiens)
BDBM50251453
PNG
(CHEMBL4079572)
Show SMILES Nc1nccc(n1)-c1c[nH]c2cnccc12
Show InChI InChI=1S/C11H9N5/c12-11-14-4-2-9(16-11)8-5-15-10-6-13-3-1-7(8)10/h1-6,15H,(H2,12,14,16)
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n/an/an/an/a 4.80E+3n/an/an/an/a



Rigel Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Induction of nuclear translocation of human GFP-tagged NFATc1 expressed in virus infected primary human skeletal muscle myoblasts after 3 hrs by DAPI...


Bioorg Med Chem Lett 27: 2617-2621 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.037
BindingDB Entry DOI: 10.7270/Q2SN0CFP
More data for this
Ligand-Target Pair
Nuclear factor of activated T-cells, cytoplasmic 1


(Homo sapiens)
BDBM50251485
PNG
(CHEMBL4080488)
Show SMILES Cc1cc(ccn1)-c1c[nH]c2cnccc12
Show InChI InChI=1S/C13H11N3/c1-9-6-10(2-5-15-9)12-7-16-13-8-14-4-3-11(12)13/h2-8,16H,1H3
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n/an/an/an/a 2.08E+4n/an/an/an/a



Rigel Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Induction of nuclear translocation of human GFP-tagged NFATc1 expressed in virus infected primary human skeletal muscle myoblasts after 3 hrs by DAPI...


Bioorg Med Chem Lett 27: 2617-2621 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.037
BindingDB Entry DOI: 10.7270/Q2SN0CFP
More data for this
Ligand-Target Pair
Nuclear factor of activated T-cells, cytoplasmic 1


(Homo sapiens)
BDBM50251452
PNG
(CHEMBL4077010)
Show SMILES Cn1cc(-c2ccncc2)c2ccncc12
Show InChI InChI=1S/C13H11N3/c1-16-9-12(10-2-5-14-6-3-10)11-4-7-15-8-13(11)16/h2-9H,1H3
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n/an/an/an/a 2.21E+3n/an/an/an/a



Rigel Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Induction of nuclear translocation of human GFP-tagged NFATc1 expressed in virus infected primary human skeletal muscle myoblasts after 3 hrs by DAPI...


Bioorg Med Chem Lett 27: 2617-2621 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.037
BindingDB Entry DOI: 10.7270/Q2SN0CFP
More data for this
Ligand-Target Pair
Nuclear factor of activated T-cells, cytoplasmic 1


(Homo sapiens)
BDBM50251436
PNG
(CHEMBL4091320)
Show SMILES COCCn1cc(-c2ccncc2)c2ccncc12
Show InChI InChI=1S/C15H15N3O/c1-19-9-8-18-11-14(12-2-5-16-6-3-12)13-4-7-17-10-15(13)18/h2-7,10-11H,8-9H2,1H3
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n/an/an/an/a 6.90E+3n/an/an/an/a



Rigel Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Induction of nuclear translocation of human GFP-tagged NFATc1 expressed in virus infected primary human skeletal muscle myoblasts after 3 hrs by DAPI...


Bioorg Med Chem Lett 27: 2617-2621 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.037
BindingDB Entry DOI: 10.7270/Q2SN0CFP
More data for this
Ligand-Target Pair
Nuclear factor of activated T-cells, cytoplasmic 1


(Homo sapiens)
BDBM50251451
PNG
(CHEMBL4069163)
Show SMILES Fc1ccc(Cn2cc(-c3ccncc3)c3ccncc23)cc1
Show InChI InChI=1S/C19H14FN3/c20-16-3-1-14(2-4-16)12-23-13-18(15-5-8-21-9-6-15)17-7-10-22-11-19(17)23/h1-11,13H,12H2
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n/an/an/an/a 7.58E+3n/an/an/an/a



Rigel Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Induction of nuclear translocation of human GFP-tagged NFATc1 expressed in virus infected primary human skeletal muscle myoblasts after 3 hrs by DAPI...


Bioorg Med Chem Lett 27: 2617-2621 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.037
BindingDB Entry DOI: 10.7270/Q2SN0CFP
More data for this
Ligand-Target Pair