Found 18 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Acyl-CoA desaturase 1
(Mus musculus) | BDBM50261893
(4-(2-chloro-4-fluorophenoxy)-N-(3-(methylcarbamoyl...)Show SMILES CNC(=O)c1cccc(NC(=O)N2CCC(CC2)Oc2ccc(F)cc2Cl)c1 Show InChI InChI=1S/C20H21ClFN3O3/c1-23-19(26)13-3-2-4-15(11-13)24-20(27)25-9-7-16(8-10-25)28-18-6-5-14(22)12-17(18)21/h2-6,11-12,16H,7-10H2,1H3,(H,23,26)(H,24,27) | PDB
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| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse SCD1 |
Bioorg Med Chem Lett 18: 4298-302 (2008)
Article DOI: 10.1016/j.bmcl.2008.06.088
BindingDB Entry DOI: 10.7270/Q2ST7PNG |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Mus musculus) | BDBM50261949
(4-(2-chlorophenoxy)-N-(3-(ethylcarbamoyl)phenyl)pi...)Show SMILES CCNC(=O)c1cccc(NC(=O)N2CCC(CC2)Oc2ccccc2Cl)c1 Show InChI InChI=1S/C21H24ClN3O3/c1-2-23-20(26)15-6-5-7-16(14-15)24-21(27)25-12-10-17(11-13-25)28-19-9-4-3-8-18(19)22/h3-9,14,17H,2,10-13H2,1H3,(H,23,26)(H,24,27) | PDB
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Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse SCD1 |
Bioorg Med Chem Lett 18: 4298-302 (2008)
Article DOI: 10.1016/j.bmcl.2008.06.088
BindingDB Entry DOI: 10.7270/Q2ST7PNG |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Mus musculus) | BDBM50261895
(4-(2-chlorophenoxy)-N-(3-(3-methyl-1,2,4-oxadiazol...)Show SMILES Cc1noc(n1)-c1cccc(NC(=O)N2CCC(CC2)Oc2ccccc2Cl)c1 Show InChI InChI=1S/C21H21ClN4O3/c1-14-23-20(29-25-14)15-5-4-6-16(13-15)24-21(27)26-11-9-17(10-12-26)28-19-8-3-2-7-18(19)22/h2-8,13,17H,9-12H2,1H3,(H,24,27) | PDB
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Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse SCD1 |
Bioorg Med Chem Lett 18: 4298-302 (2008)
Article DOI: 10.1016/j.bmcl.2008.06.088
BindingDB Entry DOI: 10.7270/Q2ST7PNG |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Mus musculus) | BDBM50261896
(CHEMBL512085 | N-(3-(1H-imidazol-2-yl)phenyl)-4-(2...)Show SMILES Clc1ccccc1OC1CCN(CC1)C(=O)Nc1cccc(c1)-c1ncc[nH]1 Show InChI InChI=1S/C21H21ClN4O2/c22-18-6-1-2-7-19(18)28-17-8-12-26(13-9-17)21(27)25-16-5-3-4-15(14-16)20-23-10-11-24-20/h1-7,10-11,14,17H,8-9,12-13H2,(H,23,24)(H,25,27) | PDB
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Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse SCD1 |
Bioorg Med Chem Lett 18: 4298-302 (2008)
Article DOI: 10.1016/j.bmcl.2008.06.088
BindingDB Entry DOI: 10.7270/Q2ST7PNG |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Mus musculus) | BDBM50261948
(CHEMBL467180 | N-(3-carbamoylphenyl)-4-(2-chloroph...)Show SMILES NC(=O)c1cccc(NC(=O)N2CCC(CC2)Oc2ccccc2Cl)c1 Show InChI InChI=1S/C19H20ClN3O3/c20-16-6-1-2-7-17(16)26-15-8-10-23(11-9-15)19(25)22-14-5-3-4-13(12-14)18(21)24/h1-7,12,15H,8-11H2,(H2,21,24)(H,22,25) | PDB
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Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse SCD1 |
Bioorg Med Chem Lett 18: 4298-302 (2008)
Article DOI: 10.1016/j.bmcl.2008.06.088
BindingDB Entry DOI: 10.7270/Q2ST7PNG |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Mus musculus) | BDBM50261718
(CHEMBL466753 | N-(3-(methylcarbamoyl)phenyl)-4-(o-...)Show SMILES CNC(=O)c1cccc(NC(=O)N2CCC(CC2)Oc2ccccc2C)c1 Show InChI InChI=1S/C21H25N3O3/c1-15-6-3-4-9-19(15)27-18-10-12-24(13-11-18)21(26)23-17-8-5-7-16(14-17)20(25)22-2/h3-9,14,18H,10-13H2,1-2H3,(H,22,25)(H,23,26) | PDB
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Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse SCD1 |
Bioorg Med Chem Lett 18: 4298-302 (2008)
Article DOI: 10.1016/j.bmcl.2008.06.088
BindingDB Entry DOI: 10.7270/Q2ST7PNG |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Mus musculus) | BDBM50261720
(4-(3-chlorophenoxy)-N-(3-(methylcarbamoyl)phenyl)p...)Show SMILES CNC(=O)c1cccc(NC(=O)N2CCC(CC2)Oc2cccc(Cl)c2)c1 Show InChI InChI=1S/C20H22ClN3O3/c1-22-19(25)14-4-2-6-16(12-14)23-20(26)24-10-8-17(9-11-24)27-18-7-3-5-15(21)13-18/h2-7,12-13,17H,8-11H2,1H3,(H,22,25)(H,23,26) | PDB
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Curated by ChEMBL
| Assay Description
Inhibition of mouse SCD1 |
Bioorg Med Chem Lett 18: 4298-302 (2008)
Article DOI: 10.1016/j.bmcl.2008.06.088
BindingDB Entry DOI: 10.7270/Q2ST7PNG |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Mus musculus) | BDBM50261719
(4-(2-methoxyphenoxy)-N-(3-(methylcarbamoyl)phenyl)...)Show SMILES CNC(=O)c1cccc(NC(=O)N2CCC(CC2)Oc2ccccc2OC)c1 Show InChI InChI=1S/C21H25N3O4/c1-22-20(25)15-6-5-7-16(14-15)23-21(26)24-12-10-17(11-13-24)28-19-9-4-3-8-18(19)27-2/h3-9,14,17H,10-13H2,1-2H3,(H,22,25)(H,23,26) | PDB
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Curated by ChEMBL
| Assay Description
Inhibition of mouse SCD1 |
Bioorg Med Chem Lett 18: 4298-302 (2008)
Article DOI: 10.1016/j.bmcl.2008.06.088
BindingDB Entry DOI: 10.7270/Q2ST7PNG |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Mus musculus) | BDBM50262534
(4-(2-fluorophenoxy)-N-(3-(methylcarbamoyl)phenyl)p...)Show SMILES CNC(=O)c1cccc(NC(=O)N2CCC(CC2)Oc2ccccc2F)c1 Show InChI InChI=1S/C20H22FN3O3/c1-22-19(25)14-5-4-6-15(13-14)23-20(26)24-11-9-16(10-12-24)27-18-8-3-2-7-17(18)21/h2-8,13,16H,9-12H2,1H3,(H,22,25)(H,23,26) | PDB
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Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse SCD1 |
Bioorg Med Chem Lett 18: 4298-302 (2008)
Article DOI: 10.1016/j.bmcl.2008.06.088
BindingDB Entry DOI: 10.7270/Q2ST7PNG |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Mus musculus) | BDBM50261779
(4-(2-chloro-6-fluorophenoxy)-N-(3-(methylcarbamoyl...)Show SMILES CNC(=O)c1cccc(NC(=O)N2CCC(CC2)Oc2c(F)cccc2Cl)c1 Show InChI InChI=1S/C20H21ClFN3O3/c1-23-19(26)13-4-2-5-14(12-13)24-20(27)25-10-8-15(9-11-25)28-18-16(21)6-3-7-17(18)22/h2-7,12,15H,8-11H2,1H3,(H,23,26)(H,24,27) | PDB
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Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse SCD1 |
Bioorg Med Chem Lett 18: 4298-302 (2008)
Article DOI: 10.1016/j.bmcl.2008.06.088
BindingDB Entry DOI: 10.7270/Q2ST7PNG |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Mus musculus) | BDBM50262533
(CHEMBL518741 | N-(3-(methylcarbamoyl)phenyl)-4-phe...)Show InChI InChI=1S/C20H23N3O3/c1-21-19(24)15-6-5-7-16(14-15)22-20(25)23-12-10-18(11-13-23)26-17-8-3-2-4-9-17/h2-9,14,18H,10-13H2,1H3,(H,21,24)(H,22,25) | PDB
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Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse SCD1 |
Bioorg Med Chem Lett 18: 4298-302 (2008)
Article DOI: 10.1016/j.bmcl.2008.06.088
BindingDB Entry DOI: 10.7270/Q2ST7PNG |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Mus musculus) | BDBM50262530
(CHEMBL479249 | N-methyl-4-(4-(2-(trifluoromethyl)b...)Show SMILES CNC(=O)c1ccc(cc1)N1CCN(CC1)C(=O)c1ccccc1C(F)(F)F Show InChI InChI=1S/C20H20F3N3O2/c1-24-18(27)14-6-8-15(9-7-14)25-10-12-26(13-11-25)19(28)16-4-2-3-5-17(16)20(21,22)23/h2-9H,10-13H2,1H3,(H,24,27) | PDB
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Curated by ChEMBL
| Assay Description
Inhibition of mouse SCD1 |
Bioorg Med Chem Lett 18: 4298-302 (2008)
Article DOI: 10.1016/j.bmcl.2008.06.088
BindingDB Entry DOI: 10.7270/Q2ST7PNG |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Mus musculus) | BDBM50261894
(4-(2-chlorophenoxy)-N-phenylpiperidine-1-carboxami...)Show InChI InChI=1S/C18H19ClN2O2/c19-16-8-4-5-9-17(16)23-15-10-12-21(13-11-15)18(22)20-14-6-2-1-3-7-14/h1-9,15H,10-13H2,(H,20,22) | PDB
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Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse SCD1 |
Bioorg Med Chem Lett 18: 4298-302 (2008)
Article DOI: 10.1016/j.bmcl.2008.06.088
BindingDB Entry DOI: 10.7270/Q2ST7PNG |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Mus musculus) | BDBM50262531
(CHEMBL476103 | N-(3-(methylcarbamoyl)phenyl)-4-(2-...)Show SMILES CNC(=O)c1cccc(NC(=O)N2CCN(CC2)C(=O)c2ccccc2C(F)(F)F)c1 Show InChI InChI=1S/C21H21F3N4O3/c1-25-18(29)14-5-4-6-15(13-14)26-20(31)28-11-9-27(10-12-28)19(30)16-7-2-3-8-17(16)21(22,23)24/h2-8,13H,9-12H2,1H3,(H,25,29)(H,26,31) | PDB
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Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse SCD1 |
Bioorg Med Chem Lett 18: 4298-302 (2008)
Article DOI: 10.1016/j.bmcl.2008.06.088
BindingDB Entry DOI: 10.7270/Q2ST7PNG |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Mus musculus) | BDBM50261950
(4-(2-chlorophenoxy)-N-(3-(isopropylcarbamoyl)pheny...)Show SMILES CC(C)NC(=O)c1cccc(NC(=O)N2CCC(CC2)Oc2ccccc2Cl)c1 Show InChI InChI=1S/C22H26ClN3O3/c1-15(2)24-21(27)16-6-5-7-17(14-16)25-22(28)26-12-10-18(11-13-26)29-20-9-4-3-8-19(20)23/h3-9,14-15,18H,10-13H2,1-2H3,(H,24,27)(H,25,28) | PDB
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Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse SCD1 |
Bioorg Med Chem Lett 18: 4298-302 (2008)
Article DOI: 10.1016/j.bmcl.2008.06.088
BindingDB Entry DOI: 10.7270/Q2ST7PNG |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Mus musculus) | BDBM50262532
(CHEMBL478197 | N-(4-(methylcarbamoyl)phenyl)-4-(2-...)Show SMILES CNC(=O)c1ccc(NC(=O)N2CCN(CC2)C(=O)c2ccccc2C(F)(F)F)cc1 Show InChI InChI=1S/C21H21F3N4O3/c1-25-18(29)14-6-8-15(9-7-14)26-20(31)28-12-10-27(11-13-28)19(30)16-4-2-3-5-17(16)21(22,23)24/h2-9H,10-13H2,1H3,(H,25,29)(H,26,31) | PDB
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Curated by ChEMBL
| Assay Description
Inhibition of mouse SCD1 |
Bioorg Med Chem Lett 18: 4298-302 (2008)
Article DOI: 10.1016/j.bmcl.2008.06.088
BindingDB Entry DOI: 10.7270/Q2ST7PNG |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Mus musculus) | BDBM50261951
(CHEMBL467190 | N-(3-(tert-butylcarbamoyl)phenyl)-4...)Show SMILES CC(C)(C)NC(=O)c1cccc(NC(=O)N2CCC(CC2)Oc2ccccc2Cl)c1 Show InChI InChI=1S/C23H28ClN3O3/c1-23(2,3)26-21(28)16-7-6-8-17(15-16)25-22(29)27-13-11-18(12-14-27)30-20-10-5-4-9-19(20)24/h4-10,15,18H,11-14H2,1-3H3,(H,25,29)(H,26,28) | PDB
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Curated by ChEMBL
| Assay Description
Inhibition of mouse SCD1 |
Bioorg Med Chem Lett 18: 4298-302 (2008)
Article DOI: 10.1016/j.bmcl.2008.06.088
BindingDB Entry DOI: 10.7270/Q2ST7PNG |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50261716
(4-(2-chlorophenoxy)-N-(3-(methylcarbamoyl)phenyl)p...)Show SMILES CNC(=O)c1cccc(NC(=O)N2CCC(CC2)Oc2ccccc2Cl)c1 Show InChI InChI=1S/C20H22ClN3O3/c1-22-19(25)14-5-4-6-15(13-14)23-20(26)24-11-9-16(10-12-24)27-18-8-3-2-7-17(18)21/h2-8,13,16H,9-12H2,1H3,(H,22,25)(H,23,26) | PDB
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Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from human ERG channel |
Bioorg Med Chem Lett 18: 4298-302 (2008)
Article DOI: 10.1016/j.bmcl.2008.06.088
BindingDB Entry DOI: 10.7270/Q2ST7PNG |
More data for this
Ligand-Target Pair | |
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