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Compile Data Set for Download or QSAR

Found 327 hits with Last Name = 'negoro' and Initial = 't'   
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
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM50193995
PNG
(3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...)
Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1
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n/an/a 1.10n/an/an/an/an/an/a



Japan Tobacco Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK3 (780 to end residues) expressed in baculovirus infected Sf9 cells using TK-substrate-biotin as substrate incubated for 60 mi...

J Med Chem 63: 7163-7185 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00450
BindingDB Entry DOI: 10.7270/Q2FX7F2W
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50193995
PNG
(3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...)
Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1
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n/an/a 1.20n/an/an/an/an/an/a



Japan Tobacco Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-fused human JAK2 (880 to end residues) expressed in baculovirus infected Sf21 cells using TK-substrate-biotin as substra...

J Med Chem 63: 7163-7185 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00450
BindingDB Entry DOI: 10.7270/Q2FX7F2W
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Glucagon receptor


(Homo sapiens (Human))		BDBM50122102
PNG
(3-Cyano-4-hydroxy-benzoic acid [1-(2,3,5,6-tetrame...)
Show SMILES Cc1cc(C)c(C)c(Cn2ccc3c(\C=N\NC(=O)c4ccc(O)c(c4)C#N)cccc23)c1C
Show InChI InChI=1S/C28H26N4O2/c1-17-12-18(2)20(4)25(19(17)3)16-32-11-10-24-22(6-5-7-26(24)32)15-30-31-28(34)21-8-9-27(33)23(13-21)14-29/h5-13,15,33H,16H2,1-4H3,(H,31,34)/b30-15+
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n/an/a 2.30n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Antagonist activity against human glucagon receptor

Bioorg Med Chem Lett 24: 4266-70 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.025
BindingDB Entry DOI: 10.7270/Q2ZW1NK4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50545650
PNG
(Delgocitinib | JTE-052 | JTE-052A | LEO 124249 | L...)
Show SMILES C[C@H]1CN(C(=O)CC#N)[C@]11CCN(C1)c1ncnc2[nH]ccc12 |r|
Show InChI InChI=1S/C16H18N6O/c1-11-8-22(13(23)2-5-17)16(11)4-7-21(9-16)15-12-3-6-18-14(12)19-10-20-15/h3,6,10-11H,2,4,7-9H2,1H3,(H,18,19,20)/t11-,16-/m0/s1
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n/an/a 2.60n/an/an/an/an/an/a



Japan Tobacco Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-fused human JAK2 (880 to end residues) expressed in baculovirus infected Sf21 cells using TK-substrate-biotin as substra...

J Med Chem 63: 7163-7185 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00450
BindingDB Entry DOI: 10.7270/Q2FX7F2W
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM50545650
PNG
(Delgocitinib | JTE-052 | JTE-052A | LEO 124249 | L...)
Show SMILES C[C@H]1CN(C(=O)CC#N)[C@]11CCN(C1)c1ncnc2[nH]ccc12 |r|
Show InChI InChI=1S/C16H18N6O/c1-11-8-22(13(23)2-5-17)16(11)4-7-21(9-16)15-12-3-6-18-14(12)19-10-20-15/h3,6,10-11H,2,4,7-9H2,1H3,(H,18,19,20)/t11-,16-/m0/s1
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n/an/a 2.80n/an/an/an/an/an/a



Japan Tobacco Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-fused human JAK1 (850 to 1154 residues) expressed in baculovirus expression system using TK-substrate-biotin as substrat...

J Med Chem 63: 7163-7185 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00450
BindingDB Entry DOI: 10.7270/Q2FX7F2W
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase


(Homo sapiens (Human))		BDBM50467599
PNG
(CHEMBL4282070)
Show SMILES OCc1cnc(NC(=O)c2ccc(CNc3ccccc3C(F)(F)F)cc2)s1
Show InChI InChI=1S/C19H16F3N3O2S/c20-19(21,22)15-3-1-2-4-16(15)23-9-12-5-7-13(8-6-12)17(27)25-18-24-10-14(11-26)28-18/h1-8,10,23,26H,9,11H2,(H,24,25,27)
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Japan Tobacco Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human SCD1 expressed in baculovirus expression system assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]C...

Eur J Med Chem 158: 832-852 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.003
BindingDB Entry DOI: 10.7270/Q21V5HN5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM50193995
PNG
(3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...)
Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1
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n/an/a 2.90n/an/an/an/an/an/a



Japan Tobacco Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-fused human JAK1 (850 to 1154 residues) expressed in baculovirus expression system using TK-substrate-biotin as substrat...

J Med Chem 63: 7163-7185 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00450
BindingDB Entry DOI: 10.7270/Q2FX7F2W
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Stearoyl-CoA desaturase


(Homo sapiens (Human))		BDBM50467595
PNG
(CHEMBL4277121)
Show SMILES CCCCc1ccccc1NCc1ccc(cc1)C(=O)Nc1nc(CCO)cs1
Show InChI InChI=1S/C23H27N3O2S/c1-2-3-6-18-7-4-5-8-21(18)24-15-17-9-11-19(12-10-17)22(28)26-23-25-20(13-14-27)16-29-23/h4-5,7-12,16,24,27H,2-3,6,13-15H2,1H3,(H,25,26,28)
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n/an/a 3n/an/an/an/an/an/a



Japan Tobacco Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human SCD1 expressed in baculovirus expression system assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]C...

Eur J Med Chem 158: 832-852 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.003
BindingDB Entry DOI: 10.7270/Q21V5HN5
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase


(Homo sapiens (Human))		BDBM50467583
PNG
(CHEMBL4295170)
Show SMILES CCCCCCc1ccccc1NCc1ccc(cc1)C(=O)Nc1nc(CC(O)=O)cs1
Show InChI InChI=1S/C25H29N3O3S/c1-2-3-4-5-8-19-9-6-7-10-22(19)26-16-18-11-13-20(14-12-18)24(31)28-25-27-21(17-32-25)15-23(29)30/h6-7,9-14,17,26H,2-5,8,15-16H2,1H3,(H,29,30)(H,27,28,31)
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Japan Tobacco Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human SCD1 expressed in baculovirus expression system assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]C...

Eur J Med Chem 158: 832-852 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.003
BindingDB Entry DOI: 10.7270/Q21V5HN5
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase


(Homo sapiens (Human))		BDBM50467619
PNG
(CHEMBL4278602)
Show SMILES CCCCc1ccccc1NCc1ccc(cc1)C(=O)Nc1nc(CO)cs1
Show InChI InChI=1S/C22H25N3O2S/c1-2-3-6-17-7-4-5-8-20(17)23-13-16-9-11-18(12-10-16)21(27)25-22-24-19(14-26)15-28-22/h4-5,7-12,15,23,26H,2-3,6,13-14H2,1H3,(H,24,25,27)
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n/an/a 3.20n/an/an/an/an/an/a



Japan Tobacco Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human SCD1 expressed in baculovirus expression system assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]C...

Eur J Med Chem 158: 832-852 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.003
BindingDB Entry DOI: 10.7270/Q21V5HN5
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase


(Homo sapiens (Human))		BDBM50467602
PNG
(CHEMBL4277371)
Show SMILES OCc1csc(NC(=O)c2ccc(CNc3ccccc3C(F)(F)F)cc2)n1
Show InChI InChI=1S/C19H16F3N3O2S/c20-19(21,22)15-3-1-2-4-16(15)23-9-12-5-7-13(8-6-12)17(27)25-18-24-14(10-26)11-28-18/h1-8,11,23,26H,9-10H2,(H,24,25,27)
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n/an/a 3.80n/an/an/an/an/an/a



Japan Tobacco Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human SCD1 expressed in baculovirus expression system assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]C...

Eur J Med Chem 158: 832-852 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.003
BindingDB Entry DOI: 10.7270/Q21V5HN5
More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)		BDBM50467593
PNG
(CHEMBL4284259)
Show SMILES Cc1csc(NC(=O)c2ccc(CNc3ccccc3C)cc2)n1
Show InChI InChI=1S/C19H19N3OS/c1-13-5-3-4-6-17(13)20-11-15-7-9-16(10-8-15)18(23)22-19-21-14(2)12-24-19/h3-10,12,20H,11H2,1-2H3,(H,21,22,23)
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n/an/a 3.80n/an/an/an/an/an/a



Japan Tobacco Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse liver microsome SCD assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]CoA as substrate in presence of NADH incu...

Eur J Med Chem 158: 832-852 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.003
BindingDB Entry DOI: 10.7270/Q21V5HN5
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase


(Homo sapiens (Human))		BDBM50467579
PNG
(CHEMBL4289946)
Show SMILES OCCc1cnc(NC(=O)c2ccc(CNc3ccccc3C(F)(F)F)cc2)s1
Show InChI InChI=1S/C20H18F3N3O2S/c21-20(22,23)16-3-1-2-4-17(16)24-11-13-5-7-14(8-6-13)18(28)26-19-25-12-15(29-19)9-10-27/h1-8,12,24,27H,9-11H2,(H,25,26,28)
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n/an/a 3.80n/an/an/an/an/an/a



Japan Tobacco Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human SCD1 expressed in baculovirus expression system assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]C...

Eur J Med Chem 158: 832-852 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.003
BindingDB Entry DOI: 10.7270/Q21V5HN5
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase


(Homo sapiens (Human))		BDBM50467578
PNG
(CHEMBL4293631)
Show SMILES OCCc1csc(NC(=O)c2ccc(CNc3ccccc3C(F)(F)F)s2)n1
Show InChI InChI=1S/C18H16F3N3O2S2/c19-18(20,21)13-3-1-2-4-14(13)22-9-12-5-6-15(28-12)16(26)24-17-23-11(7-8-25)10-27-17/h1-6,10,22,25H,7-9H2,(H,23,24,26)
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Japan Tobacco Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human SCD1 expressed in baculovirus expression system assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]C...

Eur J Med Chem 158: 832-852 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.003
BindingDB Entry DOI: 10.7270/Q21V5HN5
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase


(Homo sapiens (Human))		BDBM50467624
PNG
(CHEMBL4282359)
Show SMILES Cc1csc(NC(=O)c2ccc(CNc3ccccc3C(F)(F)F)cc2)n1
Show InChI InChI=1S/C19H16F3N3OS/c1-12-11-27-18(24-12)25-17(26)14-8-6-13(7-9-14)10-23-16-5-3-2-4-15(16)19(20,21)22/h2-9,11,23H,10H2,1H3,(H,24,25,26)
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n/an/a 4.10n/an/an/an/an/an/a



Japan Tobacco Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human SCD1 expressed in baculovirus expression system assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]C...

Eur J Med Chem 158: 832-852 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.003
BindingDB Entry DOI: 10.7270/Q21V5HN5
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase


(Homo sapiens (Human))		BDBM50467621
PNG
(CHEMBL4288013)
Show SMILES OCCc1csc(NC(=O)c2ccc(CNc3ccccc3C(F)(F)F)cc2)n1
Show InChI InChI=1S/C20H18F3N3O2S/c21-20(22,23)16-3-1-2-4-17(16)24-11-13-5-7-14(8-6-13)18(28)26-19-25-15(9-10-27)12-29-19/h1-8,12,24,27H,9-11H2,(H,25,26,28)
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n/an/a 4.20n/an/an/an/an/an/a



Japan Tobacco Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human SCD1 expressed in baculovirus expression system assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]C...

Eur J Med Chem 158: 832-852 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.003
BindingDB Entry DOI: 10.7270/Q21V5HN5
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase


(Homo sapiens (Human))		BDBM50467597
PNG
(CHEMBL4283141)
Show SMILES OCc1csc(NC(=O)c2ccc(CNc3ccccc3Cl)cc2)n1
Show InChI InChI=1S/C18H16ClN3O2S/c19-15-3-1-2-4-16(15)20-9-12-5-7-13(8-6-12)17(24)22-18-21-14(10-23)11-25-18/h1-8,11,20,23H,9-10H2,(H,21,22,24)
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n/an/a 4.30n/an/an/an/an/an/a



Japan Tobacco Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human SCD1 expressed in baculovirus expression system assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]C...

Eur J Med Chem 158: 832-852 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.003
BindingDB Entry DOI: 10.7270/Q21V5HN5
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase


(Homo sapiens (Human))		BDBM50467618
PNG
(CHEMBL4287233)
Show SMILES CCCCCCCCc1ccccc1NCc1ccc(cc1)C(=O)Nc1nc(CC(O)=O)cs1
Show InChI InChI=1S/C27H33N3O3S/c1-2-3-4-5-6-7-10-21-11-8-9-12-24(21)28-18-20-13-15-22(16-14-20)26(33)30-27-29-23(19-34-27)17-25(31)32/h8-9,11-16,19,28H,2-7,10,17-18H2,1H3,(H,31,32)(H,29,30,33)
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Japan Tobacco Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human SCD1 expressed in baculovirus expression system assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]C...

Eur J Med Chem 158: 832-852 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.003
BindingDB Entry DOI: 10.7270/Q21V5HN5
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase


(Homo sapiens (Human))		BDBM50467586
PNG
(CHEMBL4285765)
Show SMILES CCCCCCc1ccccc1NCc1ccc(s1)C(=O)Nc1nc(CCO)cs1
Show InChI InChI=1S/C23H29N3O2S2/c1-2-3-4-5-8-17-9-6-7-10-20(17)24-15-19-11-12-21(30-19)22(28)26-23-25-18(13-14-27)16-29-23/h6-7,9-12,16,24,27H,2-5,8,13-15H2,1H3,(H,25,26,28)
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Japan Tobacco Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human SCD1 expressed in baculovirus expression system assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]C...

Eur J Med Chem 158: 832-852 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.003
BindingDB Entry DOI: 10.7270/Q21V5HN5
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase


(Homo sapiens (Human))		BDBM50467625
PNG
(CHEMBL4286817)
Show SMILES CC(C)CCc1ccccc1NCc1ccc(cc1)C(=O)Nc1nc(CC(O)=O)cs1
Show InChI InChI=1S/C24H27N3O3S/c1-16(2)7-10-18-5-3-4-6-21(18)25-14-17-8-11-19(12-9-17)23(30)27-24-26-20(15-31-24)13-22(28)29/h3-6,8-9,11-12,15-16,25H,7,10,13-14H2,1-2H3,(H,28,29)(H,26,27,30)
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Japan Tobacco Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human SCD1 expressed in baculovirus expression system assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]C...

Eur J Med Chem 158: 832-852 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.003
BindingDB Entry DOI: 10.7270/Q21V5HN5
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase


(Homo sapiens (Human))		BDBM50467615
PNG
(CHEMBL4284015)
Show SMILES CCCCCCc1ccccc1NCc1ccc(s1)C(=O)Nc1nc(CC(O)=O)cs1
Show InChI InChI=1S/C23H27N3O3S2/c1-2-3-4-5-8-16-9-6-7-10-19(16)24-14-18-11-12-20(31-18)22(29)26-23-25-17(15-30-23)13-21(27)28/h6-7,9-12,15,24H,2-5,8,13-14H2,1H3,(H,27,28)(H,25,26,29)
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Japan Tobacco Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human SCD1 expressed in baculovirus expression system assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]C...

Eur J Med Chem 158: 832-852 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.003
BindingDB Entry DOI: 10.7270/Q21V5HN5
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase


(Homo sapiens (Human))		BDBM50467626
PNG
(CHEMBL4294042)
Show SMILES OCc1csc(NC(=O)c2ccc(CNc3ccccc3C(F)(F)F)s2)n1
Show InChI InChI=1S/C17H14F3N3O2S2/c18-17(19,20)12-3-1-2-4-13(12)21-7-11-5-6-14(27-11)15(25)23-16-22-10(8-24)9-26-16/h1-6,9,21,24H,7-8H2,(H,22,23,25)
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Japan Tobacco Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human SCD1 expressed in baculovirus expression system assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]C...

Eur J Med Chem 158: 832-852 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.003
BindingDB Entry DOI: 10.7270/Q21V5HN5
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase


(Homo sapiens (Human))		BDBM50467580
PNG
(CHEMBL4281222)
Show SMILES OC(=O)Cc1csc(NC(=O)c2ccc(CNc3ccccc3C(F)(F)F)cc2)n1
Show InChI InChI=1S/C20H16F3N3O3S/c21-20(22,23)15-3-1-2-4-16(15)24-10-12-5-7-13(8-6-12)18(29)26-19-25-14(11-30-19)9-17(27)28/h1-8,11,24H,9-10H2,(H,27,28)(H,25,26,29)
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Japan Tobacco Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human SCD1 expressed in baculovirus expression system assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]C...

Eur J Med Chem 158: 832-852 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.003
BindingDB Entry DOI: 10.7270/Q21V5HN5
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase


(Homo sapiens (Human))		BDBM50467584
PNG
(CHEMBL4280771)
Show SMILES OCCCc1csc(NC(=O)c2ccc(CNc3ccccc3C(F)(F)F)cc2)n1
Show InChI InChI=1S/C21H20F3N3O2S/c22-21(23,24)17-5-1-2-6-18(17)25-12-14-7-9-15(10-8-14)19(29)27-20-26-16(13-30-20)4-3-11-28/h1-2,5-10,13,25,28H,3-4,11-12H2,(H,26,27,29)
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n/an/a 5.20n/an/an/an/an/an/a



Japan Tobacco Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human SCD1 expressed in baculovirus expression system assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]C...

Eur J Med Chem 158: 832-852 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.003
BindingDB Entry DOI: 10.7270/Q21V5HN5
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase


(Homo sapiens (Human))		BDBM50467594
PNG
(CHEMBL4285064)
Show SMILES CC(C)CCc1ccccc1NCc1ccc(cc1)C(=O)Nc1nc(CCO)cs1
Show InChI InChI=1S/C24H29N3O2S/c1-17(2)7-10-19-5-3-4-6-22(19)25-15-18-8-11-20(12-9-18)23(29)27-24-26-21(13-14-28)16-30-24/h3-6,8-9,11-12,16-17,25,28H,7,10,13-15H2,1-2H3,(H,26,27,29)
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Japan Tobacco Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human SCD1 expressed in baculovirus expression system assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]C...

Eur J Med Chem 158: 832-852 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.003
BindingDB Entry DOI: 10.7270/Q21V5HN5
More data for this
Ligand-Target Pair
Glucagon receptor


(Rattus norvegicus)		BDBM50057796
PNG
(CHEMBL3326188)
Show SMILES CCCCCc1ccc(cc1)-c1ccoc1C(=O)NNC(=O)c1ccc(O)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C23H23N3O6/c1-2-3-4-5-15-6-8-16(9-7-15)18-12-13-32-21(18)23(29)25-24-22(28)17-10-11-20(27)19(14-17)26(30)31/h6-14,27H,2-5H2,1H3,(H,24,28)(H,25,29)
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n/an/a 5.30n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of glucagon-induced glucagon receptor-mediated cAMP production in rat hepatocytes after 15 mins by cAMP dynamic2 assay

Bioorg Med Chem Lett 24: 4266-70 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.025
BindingDB Entry DOI: 10.7270/Q2ZW1NK4
More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)		BDBM50467582
PNG
(CHEMBL4276719)
Show SMILES CCCCc1ccccc1NCc1ccc(s1)C(=O)Nc1nc(CC(O)=O)cs1
Show InChI InChI=1S/C21H23N3O3S2/c1-2-3-6-14-7-4-5-8-17(14)22-12-16-9-10-18(29-16)20(27)24-21-23-15(13-28-21)11-19(25)26/h4-5,7-10,13,22H,2-3,6,11-12H2,1H3,(H,25,26)(H,23,24,27)
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n/an/a 5.40n/an/an/an/an/an/a



Japan Tobacco Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse liver microsome SCD assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]CoA as substrate in presence of NADH incu...

Eur J Med Chem 158: 832-852 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.003
BindingDB Entry DOI: 10.7270/Q21V5HN5
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase


(Homo sapiens (Human))		BDBM50467614
PNG
(CHEMBL4283470)
Show SMILES OC(=O)Cc1csc(NC(=O)c2ccc(CNc3ccccc3Cc3ccccc3)cc2)n1
Show InChI InChI=1S/C26H23N3O3S/c30-24(31)15-22-17-33-26(28-22)29-25(32)20-12-10-19(11-13-20)16-27-23-9-5-4-8-21(23)14-18-6-2-1-3-7-18/h1-13,17,27H,14-16H2,(H,30,31)(H,28,29,32)
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Japan Tobacco Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human SCD1 expressed in baculovirus expression system assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]C...

Eur J Med Chem 158: 832-852 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.003
BindingDB Entry DOI: 10.7270/Q21V5HN5
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase


(Homo sapiens (Human))		BDBM50467587
PNG
(CHEMBL4290642)
Show SMILES CCCCc1ccccc1NCc1ccc(cc1)C(=O)Nc1nc(CC(O)=O)cs1
Show InChI InChI=1S/C23H25N3O3S/c1-2-3-6-17-7-4-5-8-20(17)24-14-16-9-11-18(12-10-16)22(29)26-23-25-19(15-30-23)13-21(27)28/h4-5,7-12,15,24H,2-3,6,13-14H2,1H3,(H,27,28)(H,25,26,29)
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Japan Tobacco Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human SCD1 expressed in baculovirus expression system assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]C...

Eur J Med Chem 158: 832-852 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.003
BindingDB Entry DOI: 10.7270/Q21V5HN5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM109867
PNG
(US8609647, 27 | US8609647, 37 | US8609647, 5)
Show SMILES FC1(F)CN(C(=O)CC#N)C11CCCN(C1)c1ncnc2[nH]ccc12
Show InChI InChI=1S/C16H16F2N6O/c17-16(18)9-24(12(25)2-5-19)15(16)4-1-7-23(8-15)14-11-3-6-20-13(11)21-10-22-14/h3,6,10H,1-2,4,7-9H2,(H,20,21,22)
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n/an/a 6n/an/an/an/an/an/a



Japan Tobacco Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK3 (780 to end residues) expressed in baculovirus infected Sf9 cells using TK-substrate-biotin as substrate incubated for 60 mi...

J Med Chem 63: 7163-7185 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00450
BindingDB Entry DOI: 10.7270/Q2FX7F2W
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase


(Homo sapiens (Human))		BDBM50467604
PNG
(CHEMBL4292509)
Show SMILES OC(=O)CCc1csc(NC(=O)c2ccc(CNc3ccccc3C(F)(F)F)cc2)n1
Show InChI InChI=1S/C21H18F3N3O3S/c22-21(23,24)16-3-1-2-4-17(16)25-11-13-5-7-14(8-6-13)19(30)27-20-26-15(12-31-20)9-10-18(28)29/h1-8,12,25H,9-11H2,(H,28,29)(H,26,27,30)
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Japan Tobacco Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human SCD1 expressed in baculovirus expression system assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]C...

Eur J Med Chem 158: 832-852 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.003
BindingDB Entry DOI: 10.7270/Q21V5HN5
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase


(Homo sapiens (Human))		BDBM50467596
PNG
(CHEMBL4286512)
Show SMILES OCCc1csc(NC(=O)c2ccc(CNc3ccccc3Cl)cc2)n1
Show InChI InChI=1S/C19H18ClN3O2S/c20-16-3-1-2-4-17(16)21-11-13-5-7-14(8-6-13)18(25)23-19-22-15(9-10-24)12-26-19/h1-8,12,21,24H,9-11H2,(H,22,23,25)
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Japan Tobacco Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human SCD1 expressed in baculovirus expression system assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]C...

Eur J Med Chem 158: 832-852 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.003
BindingDB Entry DOI: 10.7270/Q21V5HN5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM109867
PNG
(US8609647, 27 | US8609647, 37 | US8609647, 5)
Show SMILES FC1(F)CN(C(=O)CC#N)C11CCCN(C1)c1ncnc2[nH]ccc12
Show InChI InChI=1S/C16H16F2N6O/c17-16(18)9-24(12(25)2-5-19)15(16)4-1-7-23(8-15)14-11-3-6-20-13(11)21-10-22-14/h3,6,10H,1-2,4,7-9H2,(H,20,21,22)
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n/an/a 6.40n/an/an/an/an/an/a



Japan Tobacco Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK3 (780 to end residues) expressed in baculovirus infected Sf9 cells using TK-substrate-biotin as substrate incubated for 60 mi...

J Med Chem 63: 7163-7185 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00450
BindingDB Entry DOI: 10.7270/Q2FX7F2W
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase


(Homo sapiens (Human))		BDBM50467593
PNG
(CHEMBL4284259)
Show SMILES Cc1csc(NC(=O)c2ccc(CNc3ccccc3C)cc2)n1
Show InChI InChI=1S/C19H19N3OS/c1-13-5-3-4-6-17(13)20-11-15-7-9-16(10-8-15)18(23)22-19-21-14(2)12-24-19/h3-10,12,20H,11H2,1-2H3,(H,21,22,23)
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Japan Tobacco Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human SCD1 expressed in baculovirus expression system assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]C...

Eur J Med Chem 158: 832-852 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.003
BindingDB Entry DOI: 10.7270/Q21V5HN5
More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Rattus norvegicus (Rat))		BDBM50467582
PNG
(CHEMBL4276719)
Show SMILES CCCCc1ccccc1NCc1ccc(s1)C(=O)Nc1nc(CC(O)=O)cs1
Show InChI InChI=1S/C21H23N3O3S2/c1-2-3-6-14-7-4-5-8-17(14)22-12-16-9-10-18(29-16)20(27)24-21-23-15(13-28-21)11-19(25)26/h4-5,7-10,13,22H,2-3,6,11-12H2,1H3,(H,25,26)(H,23,24,27)
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n/an/a 6.5n/an/an/an/an/an/a



Japan Tobacco Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat liver microsome SCD assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]CoA as substrate in presence of NADH incuba...

Eur J Med Chem 158: 832-852 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.003
BindingDB Entry DOI: 10.7270/Q21V5HN5
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase


(Homo sapiens (Human))		BDBM50467627
PNG
(CHEMBL4280567)
Show SMILES CC(C)CCc1ccccc1NCc1ccc(s1)C(=O)Nc1nc(CC(O)=O)cs1
Show InChI InChI=1S/C22H25N3O3S2/c1-14(2)7-8-15-5-3-4-6-18(15)23-12-17-9-10-19(30-17)21(28)25-22-24-16(13-29-22)11-20(26)27/h3-6,9-10,13-14,23H,7-8,11-12H2,1-2H3,(H,26,27)(H,24,25,28)
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n/an/a 6.70n/an/an/an/an/an/a



Japan Tobacco Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human SCD1 expressed in baculovirus expression system assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]C...

Eur J Med Chem 158: 832-852 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.003
BindingDB Entry DOI: 10.7270/Q21V5HN5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM109863
PNG
(US8609647, 1 | US8609647, 15 | US8609647, 2 | US86...)
Show SMILES CC1CN(C(=O)CC#N)C11CCCN(C1)c1ncnc2[nH]ccc12
Show InChI InChI=1S/C17H20N6O/c1-12-9-23(14(24)3-6-18)17(12)5-2-8-22(10-17)16-13-4-7-19-15(13)20-11-21-16/h4,7,11-12H,2-3,5,8-10H2,1H3,(H,19,20,21)
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n/an/a 7n/an/an/an/an/an/a



Japan Tobacco Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK3 (780 to end residues) expressed in baculovirus infected Sf9 cells using TK-substrate-biotin as substrate incubated for 60 mi...

J Med Chem 63: 7163-7185 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00450
BindingDB Entry DOI: 10.7270/Q2FX7F2W
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM109863
PNG
(US8609647, 1 | US8609647, 15 | US8609647, 2 | US86...)
Show SMILES CC1CN(C(=O)CC#N)C11CCCN(C1)c1ncnc2[nH]ccc12
Show InChI InChI=1S/C17H20N6O/c1-12-9-23(14(24)3-6-18)17(12)5-2-8-22(10-17)16-13-4-7-19-15(13)20-11-21-16/h4,7,11-12H,2-3,5,8-10H2,1H3,(H,19,20,21)
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n/an/a 7n/an/an/an/an/an/a



Japan Tobacco Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK3 (780 to end residues) expressed in baculovirus infected Sf9 cells using TK-substrate-biotin as substrate incubated for 60 mi...

J Med Chem 63: 7163-7185 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00450
BindingDB Entry DOI: 10.7270/Q2FX7F2W
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase


(Homo sapiens (Human))		BDBM50467617
PNG
(CHEMBL4288454)
Show SMILES OC(=O)Cc1csc(NC(=O)c2ccc(CNc3ccccc3Cc3ccccc3)s2)n1
Show InChI InChI=1S/C24H21N3O3S2/c28-22(29)13-18-15-31-24(26-18)27-23(30)21-11-10-19(32-21)14-25-20-9-5-4-8-17(20)12-16-6-2-1-3-7-16/h1-11,15,25H,12-14H2,(H,28,29)(H,26,27,30)
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n/an/a 7.5n/an/an/an/an/an/a



Japan Tobacco Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human SCD1 expressed in baculovirus expression system assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]C...

Eur J Med Chem 158: 832-852 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.003
BindingDB Entry DOI: 10.7270/Q21V5HN5
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase


(Homo sapiens (Human))		BDBM50467589
PNG
(CHEMBL4291417)
Show SMILES OC(=O)c1cnc(NC(=O)c2ccc(CNc3ccccc3C(F)(F)F)cc2)s1
Show InChI InChI=1S/C19H14F3N3O3S/c20-19(21,22)13-3-1-2-4-14(13)23-9-11-5-7-12(8-6-11)16(26)25-18-24-10-15(29-18)17(27)28/h1-8,10,23H,9H2,(H,27,28)(H,24,25,26)
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n/an/a 8.10n/an/an/an/an/an/a



Japan Tobacco Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human SCD1 expressed in baculovirus expression system assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]C...

Eur J Med Chem 158: 832-852 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.003
BindingDB Entry DOI: 10.7270/Q21V5HN5
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase


(Homo sapiens (Human))		BDBM50467613
PNG
(CHEMBL4278895)
Show SMILES OC(=O)Cc1csc(NC(=O)c2ccc(CNc3ccccc3-c3ccccc3)cc2)n1
Show InChI InChI=1S/C25H21N3O3S/c29-23(30)14-20-16-32-25(27-20)28-24(31)19-12-10-17(11-13-19)15-26-22-9-5-4-8-21(22)18-6-2-1-3-7-18/h1-13,16,26H,14-15H2,(H,29,30)(H,27,28,31)
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n/an/a 8.70n/an/an/an/an/an/a



Japan Tobacco Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human SCD1 expressed in baculovirus expression system assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]C...

Eur J Med Chem 158: 832-852 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.003
BindingDB Entry DOI: 10.7270/Q21V5HN5
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase


(Homo sapiens (Human))		BDBM50467582
PNG
(CHEMBL4276719)
Show SMILES CCCCc1ccccc1NCc1ccc(s1)C(=O)Nc1nc(CC(O)=O)cs1
Show InChI InChI=1S/C21H23N3O3S2/c1-2-3-6-14-7-4-5-8-17(14)22-12-16-9-10-18(29-16)20(27)24-21-23-15(13-28-21)11-19(25)26/h4-5,7-10,13,22H,2-3,6,11-12H2,1H3,(H,25,26)(H,23,24,27)
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n/an/a 8.80n/an/an/an/an/an/a



Japan Tobacco Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human SCD1 expressed in baculovirus expression system assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]C...

Eur J Med Chem 158: 832-852 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.003
BindingDB Entry DOI: 10.7270/Q21V5HN5
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase


(Homo sapiens (Human))		BDBM50467590
PNG
(CHEMBL4287688)
Show SMILES CCCc1ccccc1NCc1ccc(cc1)C(=O)Nc1nc(C)cs1
Show InChI InChI=1S/C21H23N3OS/c1-3-6-17-7-4-5-8-19(17)22-13-16-9-11-18(12-10-16)20(25)24-21-23-15(2)14-26-21/h4-5,7-12,14,22H,3,6,13H2,1-2H3,(H,23,24,25)
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n/an/a 8.90n/an/an/an/an/an/a



Japan Tobacco Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human SCD1 expressed in baculovirus expression system assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]C...

Eur J Med Chem 158: 832-852 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.003
BindingDB Entry DOI: 10.7270/Q21V5HN5
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase


(Homo sapiens (Human))		BDBM50467592
PNG
(CHEMBL4285733)
Show SMILES OC(=O)Cc1csc(NC(=O)c2ccc(CNc3ccccc3C(F)(F)F)s2)n1
Show InChI InChI=1S/C18H14F3N3O3S2/c19-18(20,21)12-3-1-2-4-13(12)22-8-11-5-6-14(29-11)16(27)24-17-23-10(9-28-17)7-15(25)26/h1-6,9,22H,7-8H2,(H,25,26)(H,23,24,27)
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n/an/a 9n/an/an/an/an/an/a



Japan Tobacco Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human SCD1 expressed in baculovirus expression system assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]C...

Eur J Med Chem 158: 832-852 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.003
BindingDB Entry DOI: 10.7270/Q21V5HN5
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase


(Homo sapiens (Human))		BDBM50467611
PNG
(CHEMBL4294569)
Show SMILES Cc1csc(NC(=O)c2ccc(CNc3ccccc3Cl)cc2)n1
Show InChI InChI=1S/C18H16ClN3OS/c1-12-11-24-18(21-12)22-17(23)14-8-6-13(7-9-14)10-20-16-5-3-2-4-15(16)19/h2-9,11,20H,10H2,1H3,(H,21,22,23)
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n/an/a 9.20n/an/an/an/an/an/a



Japan Tobacco Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human SCD1 expressed in baculovirus expression system assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]C...

Eur J Med Chem 158: 832-852 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.003
BindingDB Entry DOI: 10.7270/Q21V5HN5
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase


(Homo sapiens (Human))		BDBM50467605
PNG
(CHEMBL4281535)
Show SMILES Cc1csc(NC(=O)c2ccc(CNc3ccccc3C(F)(F)F)s2)n1
Show InChI InChI=1S/C17H14F3N3OS2/c1-10-9-25-16(22-10)23-15(24)14-7-6-11(26-14)8-21-13-5-3-2-4-12(13)17(18,19)20/h2-7,9,21H,8H2,1H3,(H,22,23,24)
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n/an/a 9.70n/an/an/an/an/an/a



Japan Tobacco Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human SCD1 expressed in baculovirus expression system assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]C...

Eur J Med Chem 158: 832-852 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.003
BindingDB Entry DOI: 10.7270/Q21V5HN5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM109907
PNG
(US8609647, 52)
Show SMILES O=C(NCC#N)N1CCCC11CCCN(C1)c1ncnc2[nH]ccc12
Show InChI InChI=1S/C17H21N7O/c18-6-8-20-16(25)24-10-2-5-17(24)4-1-9-23(11-17)15-13-3-7-19-14(13)21-12-22-15/h3,7,12H,1-2,4-5,8-11H2,(H,20,25)(H,19,21,22)
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n/an/a 10n/an/an/an/an/an/a



Japan Tobacco Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK3 (780 to end residues) expressed in baculovirus infected Sf9 cells using TK-substrate-biotin as substrate incubated for 60 mi...

J Med Chem 63: 7163-7185 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00450
BindingDB Entry DOI: 10.7270/Q2FX7F2W
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM109866
PNG
(US8609647, 26 | US8609647, 4)
Show SMILES FC1(F)CN(C(=O)CC#N)C11CCN(C1)c1ncnc2[nH]ccc12
Show InChI InChI=1S/C15H14F2N6O/c16-15(17)8-23(11(24)1-4-18)14(15)3-6-22(7-14)13-10-2-5-19-12(10)20-9-21-13/h2,5,9H,1,3,6-8H2,(H,19,20,21)
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n/an/a 11n/an/an/an/an/an/a



Japan Tobacco Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK3 (780 to end residues) expressed in baculovirus infected Sf9 cells using TK-substrate-biotin as substrate incubated for 60 mi...

J Med Chem 63: 7163-7185 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00450
BindingDB Entry DOI: 10.7270/Q2FX7F2W
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM109866
PNG
(US8609647, 26 | US8609647, 4)
Show SMILES FC1(F)CN(C(=O)CC#N)C11CCN(C1)c1ncnc2[nH]ccc12
Show InChI InChI=1S/C15H14F2N6O/c16-15(17)8-23(11(24)1-4-18)14(15)3-6-22(7-14)13-10-2-5-19-12(10)20-9-21-13/h2,5,9H,1,3,6-8H2,(H,19,20,21)
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n/an/a 11n/an/an/an/an/an/a



Japan Tobacco Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK3 (780 to end residues) expressed in baculovirus infected Sf9 cells using TK-substrate-biotin as substrate incubated for 60 mi...

J Med Chem 63: 7163-7185 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00450
BindingDB Entry DOI: 10.7270/Q2FX7F2W
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM50545650
PNG
(Delgocitinib | JTE-052 | JTE-052A | LEO 124249 | L...)
Show SMILES C[C@H]1CN(C(=O)CC#N)[C@]11CCN(C1)c1ncnc2[nH]ccc12 |r|
Show InChI InChI=1S/C16H18N6O/c1-11-8-22(13(23)2-5-17)16(11)4-7-21(9-16)15-12-3-6-18-14(12)19-10-20-15/h3,6,10-11H,2,4,7-9H2,1H3,(H,18,19,20)/t11-,16-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Japan Tobacco Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK3 (780 to end residues) expressed in baculovirus infected Sf9 cells using TK-substrate-biotin as substrate incubated for 60 mi...

J Med Chem 63: 7163-7185 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00450
BindingDB Entry DOI: 10.7270/Q2FX7F2W
More data for this
Ligand-Target Pair
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