Found 50 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) | BDBM50371080
(CHEMBL376392)Show InChI InChI=1S/C16H16ClFN4O2/c17-12-2-1-10(18)9-14(12)24-11-5-7-22(8-6-11)15-4-3-13(16(19)23)20-21-15/h1-4,9,11H,5-8H2,(H2,19,23) | PDB
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| CHEMBL
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| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in ob/ob mouse liver microsome |
J Med Chem 50: 3086-100 (2007)
Article DOI: 10.1021/jm070219p
BindingDB Entry DOI: 10.7270/Q2GH9JSG |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Mus musculus) | BDBM50371071
(CHEMBL227205)Show InChI InChI=1S/C17H19BrN4O2/c1-19-17(23)14-6-7-16(21-20-14)22-10-8-12(9-11-22)24-15-5-3-2-4-13(15)18/h2-7,12H,8-11H2,1H3,(H,19,23) | PDB
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| CHEMBL
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PC sid
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| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in ob/ob mouse liver microsome |
J Med Chem 50: 3086-100 (2007)
Article DOI: 10.1021/jm070219p
BindingDB Entry DOI: 10.7270/Q2GH9JSG |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Mus musculus) | BDBM50371087
(CHEMBL375514)Show SMILES Cc1nnc([nH]1)-c1ccc(nn1)N1CCC(CC1)Oc1cc(F)ccc1Cl Show InChI InChI=1S/C18H18ClFN6O/c1-11-21-18(25-22-11)15-4-5-17(24-23-15)26-8-6-13(7-9-26)27-16-10-12(20)2-3-14(16)19/h2-5,10,13H,6-9H2,1H3,(H,21,22,25) | PDB
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UniProtKB/SwissProt
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| CHEMBL
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| Article
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in ob/ob mouse liver microsome |
J Med Chem 50: 3086-100 (2007)
Article DOI: 10.1021/jm070219p
BindingDB Entry DOI: 10.7270/Q2GH9JSG |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Mus musculus) | BDBM50371060
(CHEMBL226646)Show SMILES Cc1nnc(o1)-c1ccc(nn1)N1CCC(CC1)Oc1cc(F)ccc1Cl Show InChI InChI=1S/C18H17ClFN5O2/c1-11-21-24-18(26-11)15-4-5-17(23-22-15)25-8-6-13(7-9-25)27-16-10-12(20)2-3-14(16)19/h2-5,10,13H,6-9H2,1H3 | PDB
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MCE
PC cid
PC sid
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| Article
PubMed
| n/a | n/a | 4.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in ob/ob mouse liver microsome |
J Med Chem 50: 3086-100 (2007)
Article DOI: 10.1021/jm070219p
BindingDB Entry DOI: 10.7270/Q2GH9JSG |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Mus musculus) | BDBM50371053
(CHEMBL227256)Show InChI InChI=1S/C17H18ClFN4O2/c1-20-17(24)14-4-5-16(22-21-14)23-8-6-12(7-9-23)25-15-10-11(19)2-3-13(15)18/h2-5,10,12H,6-9H2,1H3,(H,20,24) | PDB
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in ob/ob mouse liver microsome |
J Med Chem 50: 3086-100 (2007)
Article DOI: 10.1021/jm070219p
BindingDB Entry DOI: 10.7270/Q2GH9JSG |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Mus musculus) | BDBM50371046
(CHEMBL427416)Show InChI InChI=1S/C19H21N5O2/c1-13-5-3-4-6-17(13)25-15-9-11-24(12-10-15)18-8-7-16(21-22-18)19-20-14(2)23-26-19/h3-8,15H,9-12H2,1-2H3 | PDB
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PubMed
| n/a | n/a | 5.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in ob/ob mouse liver microsome |
J Med Chem 50: 3086-100 (2007)
Article DOI: 10.1021/jm070219p
BindingDB Entry DOI: 10.7270/Q2GH9JSG |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Mus musculus) | BDBM50371059
(CHEMBL227313)Show SMILES COc1ccccc1OC1CCN(CC1)c1ccc(nn1)C(=O)NCCc1cnc[nH]1 Show InChI InChI=1S/C22H26N6O3/c1-30-19-4-2-3-5-20(19)31-17-9-12-28(13-10-17)21-7-6-18(26-27-21)22(29)24-11-8-16-14-23-15-25-16/h2-7,14-15,17H,8-13H2,1H3,(H,23,25)(H,24,29) | 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 SCD1 in ob/ob mouse liver microsome |
J Med Chem 50: 3086-100 (2007)
Article DOI: 10.1021/jm070219p
BindingDB Entry DOI: 10.7270/Q2GH9JSG |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Mus musculus) | BDBM50371077
(CHEMBL227255)Show InChI InChI=1S/C17H18Cl2N4O2/c1-20-17(24)14-4-5-16(22-21-14)23-8-6-12(7-9-23)25-15-10-11(18)2-3-13(15)19/h2-5,10,12H,6-9H2,1H3,(H,20,24) | PDB
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| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in ob/ob mouse liver microsome |
J Med Chem 50: 3086-100 (2007)
Article DOI: 10.1021/jm070219p
BindingDB Entry DOI: 10.7270/Q2GH9JSG |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Mus musculus) | BDBM50371084
(CHEMBL227257)Show InChI InChI=1S/C16H17ClN4O2/c17-12-3-1-2-4-14(12)23-11-7-9-21(10-8-11)15-6-5-13(16(18)22)19-20-15/h1-6,11H,7-10H2,(H2,18,22) | PDB
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| n/a | n/a | 7.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in ob/ob mouse liver microsome |
J Med Chem 50: 3086-100 (2007)
Article DOI: 10.1021/jm070219p
BindingDB Entry DOI: 10.7270/Q2GH9JSG |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Mus musculus) | BDBM50371074
(CHEMBL388735)Show SMILES Fc1ccccc1OC1CCN(CC1)c1ccc(nn1)-c1nc(Cc2ccccc2)no1 Show InChI InChI=1S/C24H22FN5O2/c25-19-8-4-5-9-21(19)31-18-12-14-30(15-13-18)23-11-10-20(27-28-23)24-26-22(29-32-24)16-17-6-2-1-3-7-17/h1-11,18H,12-16H2 | PDB
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| n/a | n/a | 7.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in ob/ob mouse liver microsome |
J Med Chem 50: 3086-100 (2007)
Article DOI: 10.1021/jm070219p
BindingDB Entry DOI: 10.7270/Q2GH9JSG |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Mus musculus) | BDBM50371043
(CHEMBL375265)Show InChI InChI=1S/C17H19ClN4O2/c1-19-17(23)14-6-7-16(21-20-14)22-10-8-12(9-11-22)24-15-5-3-2-4-13(15)18/h2-7,12H,8-11H2,1H3,(H,19,23) | PDB
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| Article
PubMed
| n/a | n/a | 8.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in ob/ob mouse liver microsome |
J Med Chem 50: 3086-100 (2007)
Article DOI: 10.1021/jm070219p
BindingDB Entry DOI: 10.7270/Q2GH9JSG |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Mus musculus) | BDBM50371073
(CHEMBL226648)Show InChI InChI=1S/C19H18ClN3O2/c20-16-3-1-2-4-18(16)25-15-7-10-23(11-8-15)19-6-5-17(21-22-19)14-9-12-24-13-14/h1-6,9,12-13,15H,7-8,10-11H2 | PDB
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| CHEMBL
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UniChem
| Article
PubMed
| n/a | n/a | 9.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in ob/ob mouse liver microsome |
J Med Chem 50: 3086-100 (2007)
Article DOI: 10.1021/jm070219p
BindingDB Entry DOI: 10.7270/Q2GH9JSG |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Mus musculus) | BDBM50371048
(CHEMBL227281)Show SMILES C(c1noc(n1)-c1ccc(nn1)N1CCC(CC1)Oc1ccccc1)c1ccccc1 Show InChI InChI=1S/C24H23N5O2/c1-3-7-18(8-4-1)17-22-25-24(31-28-22)21-11-12-23(27-26-21)29-15-13-20(14-16-29)30-19-9-5-2-6-10-19/h1-12,20H,13-17H2 | PDB
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in ob/ob mouse liver microsome |
J Med Chem 50: 3086-100 (2007)
Article DOI: 10.1021/jm070219p
BindingDB Entry DOI: 10.7270/Q2GH9JSG |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Mus musculus) | BDBM50371058
(CHEMBL227269)Show SMILES Cc1cc(CNC(=O)c2ccc(nn2)N2CCC(CC2)Oc2ccccc2Cl)on1 Show InChI InChI=1S/C21H22ClN5O3/c1-14-12-16(30-26-14)13-23-21(28)18-6-7-20(25-24-18)27-10-8-15(9-11-27)29-19-5-3-2-4-17(19)22/h2-7,12,15H,8-11,13H2,1H3,(H,23,28) | PDB
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in ob/ob mouse liver microsome |
J Med Chem 50: 3086-100 (2007)
Article DOI: 10.1021/jm070219p
BindingDB Entry DOI: 10.7270/Q2GH9JSG |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Mus musculus) | BDBM50371050
(CHEMBL376117)Show InChI InChI=1S/C19H19ClN4O/c20-16-5-1-2-6-17(16)25-15-9-13-24(14-10-15)19-8-7-18(21-22-19)23-11-3-4-12-23/h1-8,11-12,15H,9-10,13-14H2 | PDB
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PC cid
PC sid
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| Article
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in ob/ob mouse liver microsome |
J Med Chem 50: 3086-100 (2007)
Article DOI: 10.1021/jm070219p
BindingDB Entry DOI: 10.7270/Q2GH9JSG |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Mus musculus) | BDBM50371079
(CHEMBL442055)Show SMILES Clc1ccccc1OC1CCN(CC1)c1ccc(nn1)C(=O)NCCc1cccs1 Show InChI InChI=1S/C22H23ClN4O2S/c23-18-5-1-2-6-20(18)29-16-10-13-27(14-11-16)21-8-7-19(25-26-21)22(28)24-12-9-17-4-3-15-30-17/h1-8,15-16H,9-14H2,(H,24,28) | PDB
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in ob/ob mouse liver microsome |
J Med Chem 50: 3086-100 (2007)
Article DOI: 10.1021/jm070219p
BindingDB Entry DOI: 10.7270/Q2GH9JSG |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Mus musculus) | BDBM50371051
(CHEMBL227280)Show InChI InChI=1S/C18H18ClN5O2/c1-12-20-18(23-26-12)15-6-7-17(22-21-15)24-10-8-13(9-11-24)25-16-5-3-2-4-14(16)19/h2-7,13H,8-11H2,1H3 | PDB
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PC cid
PC sid
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PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in ob/ob mouse liver microsome |
J Med Chem 50: 3086-100 (2007)
Article DOI: 10.1021/jm070219p
BindingDB Entry DOI: 10.7270/Q2GH9JSG |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Mus musculus) | BDBM50371088
(CHEMBL229271)Show SMILES CC(C)CCNC(=O)c1ccc(nn1)N1CCC(CC1)Oc1cccc(F)c1 Show InChI InChI=1S/C21H27FN4O2/c1-15(2)8-11-23-21(27)19-6-7-20(25-24-19)26-12-9-17(10-13-26)28-18-5-3-4-16(22)14-18/h3-7,14-15,17H,8-13H2,1-2H3,(H,23,27) | PDB
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| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in ob/ob mouse liver microsome |
J Med Chem 50: 3086-100 (2007)
Article DOI: 10.1021/jm070219p
BindingDB Entry DOI: 10.7270/Q2GH9JSG |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Mus musculus) | BDBM50371069
(CHEMBL226597)Show SMILES Clc1ccccc1OC1CCN(CC1)c1ccc(nn1)-c1nnc(Cc2ccccc2)o1 Show InChI InChI=1S/C24H22ClN5O2/c25-19-8-4-5-9-21(19)31-18-12-14-30(15-13-18)22-11-10-20(26-27-22)24-29-28-23(32-24)16-17-6-2-1-3-7-17/h1-11,18H,12-16H2 | PDB
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| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in ob/ob mouse liver microsome |
J Med Chem 50: 3086-100 (2007)
Article DOI: 10.1021/jm070219p
BindingDB Entry DOI: 10.7270/Q2GH9JSG |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Mus musculus) | BDBM50371047
(CHEMBL229328)Show SMILES CC(C)CCNC(=O)c1ccc(nn1)N1CCC(CC1)Oc1cc(F)ccc1F Show InChI InChI=1S/C21H26F2N4O2/c1-14(2)7-10-24-21(28)18-5-6-20(26-25-18)27-11-8-16(9-12-27)29-19-13-15(22)3-4-17(19)23/h3-6,13-14,16H,7-12H2,1-2H3,(H,24,28) | PDB
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| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in ob/ob mouse liver microsome |
J Med Chem 50: 3086-100 (2007)
Article DOI: 10.1021/jm070219p
BindingDB Entry DOI: 10.7270/Q2GH9JSG |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Mus musculus) | BDBM50371064
(CHEMBL227204)Show SMILES CC(C)CCNC(=O)c1ccc(nn1)N1CCC(CC1)Oc1cc(Cl)ccc1Cl Show InChI InChI=1S/C21H26Cl2N4O2/c1-14(2)7-10-24-21(28)18-5-6-20(26-25-18)27-11-8-16(9-12-27)29-19-13-15(22)3-4-17(19)23/h3-6,13-14,16H,7-12H2,1-2H3,(H,24,28) | PDB
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| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in ob/ob mouse liver microsome |
J Med Chem 50: 3086-100 (2007)
Article DOI: 10.1021/jm070219p
BindingDB Entry DOI: 10.7270/Q2GH9JSG |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Mus musculus) | BDBM50371056
(CHEMBL229327)Show SMILES CC(C)CCNC(=O)c1ccc(nn1)N1CCC(CC1)Oc1cccc(F)c1F Show InChI InChI=1S/C21H26F2N4O2/c1-14(2)8-11-24-21(28)17-6-7-19(26-25-17)27-12-9-15(10-13-27)29-18-5-3-4-16(22)20(18)23/h3-7,14-15H,8-13H2,1-2H3,(H,24,28) | PDB
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| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in ob/ob mouse liver microsome |
J Med Chem 50: 3086-100 (2007)
Article DOI: 10.1021/jm070219p
BindingDB Entry DOI: 10.7270/Q2GH9JSG |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Mus musculus) | BDBM50371054
(CHEMBL229270)Show SMILES CC(C)CCNC(=O)c1ccc(nn1)N1CCC(CC1)Oc1ccccc1F Show InChI InChI=1S/C21H27FN4O2/c1-15(2)9-12-23-21(27)18-7-8-20(25-24-18)26-13-10-16(11-14-26)28-19-6-4-3-5-17(19)22/h3-8,15-16H,9-14H2,1-2H3,(H,23,27) | PDB
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| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in ob/ob mouse liver microsome |
J Med Chem 50: 3086-100 (2007)
Article DOI: 10.1021/jm070219p
BindingDB Entry DOI: 10.7270/Q2GH9JSG |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Mus musculus) | BDBM50371081
(CHEMBL226702)Show InChI InChI=1S/C19H20ClN5O/c1-14-21-10-13-25(14)19-7-6-18(22-23-19)24-11-8-15(9-12-24)26-17-5-3-2-4-16(17)20/h2-7,10,13,15H,8-9,11-12H2,1H3 | PDB
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Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in ob/ob mouse liver microsome |
J Med Chem 50: 3086-100 (2007)
Article DOI: 10.1021/jm070219p
BindingDB Entry DOI: 10.7270/Q2GH9JSG |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Mus musculus) | BDBM50371044
(CHEMBL390518)Show InChI InChI=1S/C18H18ClN5O2/c1-12-20-18(26-23-12)15-6-7-17(22-21-15)24-10-8-13(9-11-24)25-16-5-3-2-4-14(16)19/h2-7,13H,8-11H2,1H3 | PDB
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Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in ob/ob mouse liver microsome |
J Med Chem 50: 3086-100 (2007)
Article DOI: 10.1021/jm070219p
BindingDB Entry DOI: 10.7270/Q2GH9JSG |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Mus musculus) | BDBM50371067
(CHEMBL375954)Show SMILES CC(C)CCNC(=O)c1ccc(nn1)N1CCC(CC1)Oc1ccccc1Cl Show InChI InChI=1S/C21H27ClN4O2/c1-15(2)9-12-23-21(27)18-7-8-20(25-24-18)26-13-10-16(11-14-26)28-19-6-4-3-5-17(19)22/h3-8,15-16H,9-14H2,1-2H3,(H,23,27) | PDB
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Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in ob/ob mouse liver microsome |
J Med Chem 50: 3086-100 (2007)
Article DOI: 10.1021/jm070219p
BindingDB Entry DOI: 10.7270/Q2GH9JSG |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Mus musculus) | BDBM50371065
(CHEMBL227217)Show SMILES Clc1ccccc1OC1CCN(CC1)c1ccc(nn1)C(=O)NCc1cccnc1 Show InChI InChI=1S/C22H22ClN5O2/c23-18-5-1-2-6-20(18)30-17-9-12-28(13-10-17)21-8-7-19(26-27-21)22(29)25-15-16-4-3-11-24-14-16/h1-8,11,14,17H,9-10,12-13,15H2,(H,25,29) | PDB
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Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in ob/ob mouse liver microsome |
J Med Chem 50: 3086-100 (2007)
Article DOI: 10.1021/jm070219p
BindingDB Entry DOI: 10.7270/Q2GH9JSG |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Mus musculus) | BDBM50371070
(CHEMBL227282)Show SMILES Clc1ccccc1OC1CCN(CC1)c1ccc(nn1)-c1nc(Cc2ccccc2)no1 Show InChI InChI=1S/C24H22ClN5O2/c25-19-8-4-5-9-21(19)31-18-12-14-30(15-13-18)23-11-10-20(27-28-23)24-26-22(29-32-24)16-17-6-2-1-3-7-17/h1-11,18H,12-16H2 | PDB
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Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in ob/ob mouse liver microsome |
J Med Chem 50: 3086-100 (2007)
Article DOI: 10.1021/jm070219p
BindingDB Entry DOI: 10.7270/Q2GH9JSG |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Mus musculus) | BDBM50371085
(CHEMBL226701)Show SMILES Cc1cc(C)n(n1)-c1ccc(nn1)N1CCC(CC1)Oc1ccccc1Cl Show InChI InChI=1S/C20H22ClN5O/c1-14-13-15(2)26(24-14)20-8-7-19(22-23-20)25-11-9-16(10-12-25)27-18-6-4-3-5-17(18)21/h3-8,13,16H,9-12H2,1-2H3 | PDB
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Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in ob/ob mouse liver microsome |
J Med Chem 50: 3086-100 (2007)
Article DOI: 10.1021/jm070219p
BindingDB Entry DOI: 10.7270/Q2GH9JSG |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Mus musculus) | BDBM50371062
(CHEMBL227203)Show SMILES CC(C)CCNC(=O)c1ccc(nn1)N1CCC(CC1)Oc1ccccc1C(F)(F)F Show InChI InChI=1S/C22H27F3N4O2/c1-15(2)9-12-26-21(30)18-7-8-20(28-27-18)29-13-10-16(11-14-29)31-19-6-4-3-5-17(19)22(23,24)25/h3-8,15-16H,9-14H2,1-2H3,(H,26,30) | PDB
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Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in ob/ob mouse liver microsome |
J Med Chem 50: 3086-100 (2007)
Article DOI: 10.1021/jm070219p
BindingDB Entry DOI: 10.7270/Q2GH9JSG |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Mus musculus) | BDBM50371063
(CHEMBL227258)Show InChI InChI=1S/C18H21ClN4O3/c19-14-3-1-2-4-16(14)26-13-7-10-23(11-8-13)17-6-5-15(21-22-17)18(25)20-9-12-24/h1-6,13,24H,7-12H2,(H,20,25) | PDB
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Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in ob/ob mouse liver microsome |
J Med Chem 50: 3086-100 (2007)
Article DOI: 10.1021/jm070219p
BindingDB Entry DOI: 10.7270/Q2GH9JSG |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Mus musculus) | BDBM50371040
(CHEMBL226691)Show SMILES Clc1ccccc1OC1CCN(CC1)c1ccc(nn1)C(=O)NCc1ncc[nH]1 Show InChI InChI=1S/C20H21ClN6O2/c21-15-3-1-2-4-17(15)29-14-7-11-27(12-8-14)19-6-5-16(25-26-19)20(28)24-13-18-22-9-10-23-18/h1-6,9-10,14H,7-8,11-13H2,(H,22,23)(H,24,28) | PDB
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Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in ob/ob mouse liver microsome |
J Med Chem 50: 3086-100 (2007)
Article DOI: 10.1021/jm070219p
BindingDB Entry DOI: 10.7270/Q2GH9JSG |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Mus musculus) | BDBM50371075
(CHEMBL390818)Show InChI InChI=1S/C21H28N4O2/c1-16(2)10-13-22-21(26)19-8-9-20(24-23-19)25-14-11-18(12-15-25)27-17-6-4-3-5-7-17/h3-9,16,18H,10-15H2,1-2H3,(H,22,26) | PDB
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| n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in ob/ob mouse liver microsome |
J Med Chem 50: 3086-100 (2007)
Article DOI: 10.1021/jm070219p
BindingDB Entry DOI: 10.7270/Q2GH9JSG |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Mus musculus) | BDBM50371041
(CHEMBL229326)Show SMILES CC(C)CCNC(=O)c1ccc(nn1)N1CCC(CC1)Oc1ccc(F)cc1 Show InChI InChI=1S/C21H27FN4O2/c1-15(2)9-12-23-21(27)19-7-8-20(25-24-19)26-13-10-18(11-14-26)28-17-5-3-16(22)4-6-17/h3-8,15,18H,9-14H2,1-2H3,(H,23,27) | PDB
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| n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in ob/ob mouse liver microsome |
J Med Chem 50: 3086-100 (2007)
Article DOI: 10.1021/jm070219p
BindingDB Entry DOI: 10.7270/Q2GH9JSG |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Mus musculus) | BDBM50371078
(CHEMBL227270)Show SMILES Cc1cc(CNC(=O)c2ccc(nn2)N2CCC(CC2)Oc2ccccc2Cl)[nH]n1 Show InChI InChI=1S/C21H23ClN6O2/c1-14-12-15(25-24-14)13-23-21(29)18-6-7-20(27-26-18)28-10-8-16(9-11-28)30-19-5-3-2-4-17(19)22/h2-7,12,16H,8-11,13H2,1H3,(H,23,29)(H,24,25) | PDB
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Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in ob/ob mouse liver microsome |
J Med Chem 50: 3086-100 (2007)
Article DOI: 10.1021/jm070219p
BindingDB Entry DOI: 10.7270/Q2GH9JSG |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Mus musculus) | BDBM50371083
(CHEMBL388413)Show InChI InChI=1S/C19H21N5O3/c1-13-20-19(27-23-13)15-7-8-18(22-21-15)24-11-9-14(10-12-24)26-17-6-4-3-5-16(17)25-2/h3-8,14H,9-12H2,1-2H3 | PDB
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Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in ob/ob mouse liver microsome |
J Med Chem 50: 3086-100 (2007)
Article DOI: 10.1021/jm070219p
BindingDB Entry DOI: 10.7270/Q2GH9JSG |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Mus musculus) | BDBM50371086
(CHEMBL227152)Show SMILES CC(C)CCNC(=O)c1ccc(nn1)N1CCC(CC1)Oc1c(F)cccc1F Show InChI InChI=1S/C21H26F2N4O2/c1-14(2)8-11-24-21(28)18-6-7-19(26-25-18)27-12-9-15(10-13-27)29-20-16(22)4-3-5-17(20)23/h3-7,14-15H,8-13H2,1-2H3,(H,24,28) | PDB
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Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in ob/ob mouse liver microsome |
J Med Chem 50: 3086-100 (2007)
Article DOI: 10.1021/jm070219p
BindingDB Entry DOI: 10.7270/Q2GH9JSG |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Mus musculus) | BDBM50371089
(CHEMBL226692)Show InChI InChI=1S/C18H19N5O2/c1-13-19-18(22-25-13)16-7-8-17(21-20-16)23-11-9-15(10-12-23)24-14-5-3-2-4-6-14/h2-8,15H,9-12H2,1H3 | PDB
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Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in ob/ob mouse liver microsome |
J Med Chem 50: 3086-100 (2007)
Article DOI: 10.1021/jm070219p
BindingDB Entry DOI: 10.7270/Q2GH9JSG |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Mus musculus) | BDBM50371049
(CHEMBL227206)Show InChI InChI=1S/C18H19N5O2/c1-20-18(24)15-6-7-17(22-21-15)23-10-8-14(9-11-23)25-16-5-3-2-4-13(16)12-19/h2-7,14H,8-11H2,1H3,(H,20,24) | PDB
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Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in ob/ob mouse liver microsome |
J Med Chem 50: 3086-100 (2007)
Article DOI: 10.1021/jm070219p
BindingDB Entry DOI: 10.7270/Q2GH9JSG |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Mus musculus) | BDBM50371055
(CHEMBL226647)Show InChI InChI=1S/C16H16ClN7O/c17-12-3-1-2-4-14(12)25-11-7-9-24(10-8-11)15-6-5-13(18-19-15)16-20-22-23-21-16/h1-6,11H,7-10H2,(H,20,21,22,23) | PDB
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Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in ob/ob mouse liver microsome |
J Med Chem 50: 3086-100 (2007)
Article DOI: 10.1021/jm070219p
BindingDB Entry DOI: 10.7270/Q2GH9JSG |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Mus musculus) | BDBM50371068
(CHEMBL229269)Show SMILES CC(C)CCNC(=O)c1ccc(nn1)N1CCN(Cc2ccccc2C(F)(F)F)CC1 Show InChI InChI=1S/C22H28F3N5O/c1-16(2)9-10-26-21(31)19-7-8-20(28-27-19)30-13-11-29(12-14-30)15-17-5-3-4-6-18(17)22(23,24)25/h3-8,16H,9-15H2,1-2H3,(H,26,31) | PDB
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Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in ob/ob mouse liver microsome |
J Med Chem 50: 3086-100 (2007)
Article DOI: 10.1021/jm070219p
BindingDB Entry DOI: 10.7270/Q2GH9JSG |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Mus musculus) | BDBM50371052
(CHEMBL229254)Show SMILES COc1ccc(Br)c(c1)C(=O)N1CCN(CC1)c1ccc(cn1)C(=O)NCCCc1ccccc1 Show InChI InChI=1S/C27H29BrN4O3/c1-35-22-10-11-24(28)23(18-22)27(34)32-16-14-31(15-17-32)25-12-9-21(19-30-25)26(33)29-13-5-8-20-6-3-2-4-7-20/h2-4,6-7,9-12,18-19H,5,8,13-17H2,1H3,(H,29,33) | PDB
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Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in ob/ob mouse liver microsome |
J Med Chem 50: 3086-100 (2007)
Article DOI: 10.1021/jm070219p
BindingDB Entry DOI: 10.7270/Q2GH9JSG |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Mus musculus) | BDBM50371042
(CHEMBL229212)Show SMILES CC(C)CCNC(=O)c1ccc(nn1)N1CCN(CC1)C(=O)c1ccccc1C(F)(F)F Show InChI InChI=1S/C22H26F3N5O2/c1-15(2)9-10-26-20(31)18-7-8-19(28-27-18)29-11-13-30(14-12-29)21(32)16-5-3-4-6-17(16)22(23,24)25/h3-8,15H,9-14H2,1-2H3,(H,26,31) | PDB
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Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in ob/ob mouse liver microsome |
J Med Chem 50: 3086-100 (2007)
Article DOI: 10.1021/jm070219p
BindingDB Entry DOI: 10.7270/Q2GH9JSG |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Mus musculus) | BDBM50371061
(CHEMBL388508)Show SMILES FC(F)(F)c1nc(no1)-c1ccc(nn1)N1CCC(CC1)Oc1ccccc1 Show InChI InChI=1S/C18H16F3N5O2/c19-18(20,21)17-22-16(25-28-17)14-6-7-15(24-23-14)26-10-8-13(9-11-26)27-12-4-2-1-3-5-12/h1-7,13H,8-11H2 | PDB
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Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in ob/ob mouse liver microsome |
J Med Chem 50: 3086-100 (2007)
Article DOI: 10.1021/jm070219p
BindingDB Entry DOI: 10.7270/Q2GH9JSG |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Mus musculus) | BDBM50371076
(CHEMBL229313)Show SMILES FC(F)(F)c1ccccc1C(=O)N1CCN(CC1)c1ccc(nn1)C(=O)NCCc1cnc[nH]1 Show InChI InChI=1S/C22H22F3N7O2/c23-22(24,25)17-4-2-1-3-16(17)21(34)32-11-9-31(10-12-32)19-6-5-18(29-30-19)20(33)27-8-7-15-13-26-14-28-15/h1-6,13-14H,7-12H2,(H,26,28)(H,27,33) | PDB
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Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in ob/ob mouse liver microsome |
J Med Chem 50: 3086-100 (2007)
Article DOI: 10.1021/jm070219p
BindingDB Entry DOI: 10.7270/Q2GH9JSG |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Mus musculus) | BDBM50371066
(CHEMBL226882)Show InChI InChI=1S/C17H19FN4O2/c1-19-17(23)14-6-7-16(21-20-14)22-10-8-12(9-11-22)24-15-5-3-2-4-13(15)18/h2-7,12H,8-11H2,1H3,(H,19,23) | PDB
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UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 980 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in ob/ob mouse liver microsome |
J Med Chem 50: 3086-100 (2007)
Article DOI: 10.1021/jm070219p
BindingDB Entry DOI: 10.7270/Q2GH9JSG |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Mus musculus) | BDBM50371082
(CHEMBL388833)Show SMILES CC(C)CCNC(=O)c1ccc(nn1)N1CCC(CC1)Oc1ccc(F)cc1F Show InChI InChI=1S/C21H26F2N4O2/c1-14(2)7-10-24-21(28)18-4-6-20(26-25-18)27-11-8-16(9-12-27)29-19-5-3-15(22)13-17(19)23/h3-6,13-14,16H,7-12H2,1-2H3,(H,24,28) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in ob/ob mouse liver microsome |
J Med Chem 50: 3086-100 (2007)
Article DOI: 10.1021/jm070219p
BindingDB Entry DOI: 10.7270/Q2GH9JSG |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Mus musculus) | BDBM50371072
(CHEMBL226693)Show InChI InChI=1S/C20H23N5O2/c1-2-6-19-21-20(24-27-19)17-9-10-18(23-22-17)25-13-11-16(12-14-25)26-15-7-4-3-5-8-15/h3-5,7-10,16H,2,6,11-14H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.33E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in ob/ob mouse liver microsome |
J Med Chem 50: 3086-100 (2007)
Article DOI: 10.1021/jm070219p
BindingDB Entry DOI: 10.7270/Q2GH9JSG |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Mus musculus) | BDBM50371045
(CHEMBL376393)Show SMILES Clc1ccccc1OC1CCN(CC1)c1ccc(nn1)C(=O)NCC1CCCO1 |w:24.26| Show InChI InChI=1S/C21H25ClN4O3/c22-17-5-1-2-6-19(17)29-15-9-11-26(12-10-15)20-8-7-18(24-25-20)21(27)23-14-16-4-3-13-28-16/h1-2,5-8,15-16H,3-4,9-14H2,(H,23,27) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.97E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in ob/ob mouse liver microsome |
J Med Chem 50: 3086-100 (2007)
Article DOI: 10.1021/jm070219p
BindingDB Entry DOI: 10.7270/Q2GH9JSG |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Mus musculus) | BDBM50371057
(CHEMBL227312)Show SMILES CN(C)CCNC(=O)c1ccc(nn1)N1CCC(CC1)Oc1ccccc1Cl Show InChI InChI=1S/C20H26ClN5O2/c1-25(2)14-11-22-20(27)17-7-8-19(24-23-17)26-12-9-15(10-13-26)28-18-6-4-3-5-16(18)21/h3-8,15H,9-14H2,1-2H3,(H,22,27) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in ob/ob mouse liver microsome |
J Med Chem 50: 3086-100 (2007)
Article DOI: 10.1021/jm070219p
BindingDB Entry DOI: 10.7270/Q2GH9JSG |
More data for this
Ligand-Target Pair | |
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