Found 54 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
(Rattus norvegicus (Rat)) | BDBM50425256
(CHEMBL2315179)Show SMILES FC(F)(F)c1cccc(CN2CCC3(CCN(CC3)c3ncc(s3)C#N)Oc3ccccc23)c1 Show InChI InChI=1S/C25H23F3N4OS/c26-25(27,28)19-5-3-4-18(14-19)17-32-13-10-24(33-22-7-2-1-6-21(22)32)8-11-31(12-9-24)23-30-16-20(15-29)34-23/h1-7,14,16H,8-13,17H2 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of rat SCD1 by rat microsomal assay |
Bioorg Med Chem Lett 23: 791-6 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.075
BindingDB Entry DOI: 10.7270/Q26H4JQ6 |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat)) | BDBM50425259
(CHEMBL2315473)Show SMILES NC(=O)c1cnc(s1)N1CCC2(CC1)CCN(Cc1cccc(c1)C(F)(F)F)c1ccccc1O2 Show InChI InChI=1S/C25H25F3N4O2S/c26-25(27,28)18-5-3-4-17(14-18)16-32-13-10-24(34-20-7-2-1-6-19(20)32)8-11-31(12-9-24)23-30-15-21(35-23)22(29)33/h1-7,14-15H,8-13,16H2,(H2,29,33) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of rat SCD1 by rat microsomal assay |
Bioorg Med Chem Lett 23: 791-6 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.075
BindingDB Entry DOI: 10.7270/Q26H4JQ6 |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat)) | BDBM50425258
(CHEMBL2315181)Show SMILES CNC(=O)c1cnc(s1)N1CCC2(CC1)CCN(Cc1cccc(c1)C(F)(F)F)c1ccccc1O2 Show InChI InChI=1S/C26H27F3N4O2S/c1-30-23(34)22-16-31-24(36-22)32-12-9-25(10-13-32)11-14-33(20-7-2-3-8-21(20)35-25)17-18-5-4-6-19(15-18)26(27,28)29/h2-8,15-16H,9-14,17H2,1H3,(H,30,34) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of rat SCD1 by rat microsomal assay |
Bioorg Med Chem Lett 23: 791-6 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.075
BindingDB Entry DOI: 10.7270/Q26H4JQ6 |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat)) | BDBM50425266
(CHEMBL2315480)Show SMILES FC(F)(F)c1cccc(CN2CCC3(CCN(CC3)c3ccc(nn3)C(=O)NCCC3CC3)Oc3ccccc23)c1 Show InChI InChI=1S/C31H34F3N5O2/c32-31(33,34)24-5-3-4-23(20-24)21-39-19-15-30(41-27-7-2-1-6-26(27)39)13-17-38(18-14-30)28-11-10-25(36-37-28)29(40)35-16-12-22-8-9-22/h1-7,10-11,20,22H,8-9,12-19,21H2,(H,35,40) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of rat SCD1 by rat microsomal assay |
Bioorg Med Chem Lett 23: 791-6 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.075
BindingDB Entry DOI: 10.7270/Q26H4JQ6 |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat)) | BDBM50425257
(CHEMBL2315472)Show SMILES CNC(=O)c1cnc(s1)N1CCC2(CC1)CCN(Cc1ccc(cc1)C(C)(C)C)c1ccccc1O2 Show InChI InChI=1S/C29H36N4O2S/c1-28(2,3)22-11-9-21(10-12-22)20-33-18-15-29(35-24-8-6-5-7-23(24)33)13-16-32(17-14-29)27-31-19-25(36-27)26(34)30-4/h5-12,19H,13-18,20H2,1-4H3,(H,30,34) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of rat SCD1 by rat microsomal assay |
Bioorg Med Chem Lett 23: 791-6 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.075
BindingDB Entry DOI: 10.7270/Q26H4JQ6 |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat)) | BDBM50425255
(CHEMBL2315180)Show SMILES OC(=O)c1cnc(s1)N1CCC2(CC1)CCN(Cc1cccc(c1)C(F)(F)F)c1ccccc1O2 Show InChI InChI=1S/C25H24F3N3O3S/c26-25(27,28)18-5-3-4-17(14-18)16-31-13-10-24(34-20-7-2-1-6-19(20)31)8-11-30(12-9-24)23-29-15-21(35-23)22(32)33/h1-7,14-15H,8-13,16H2,(H,32,33) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of rat SCD1 by rat microsomal assay |
Bioorg Med Chem Lett 23: 791-6 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.075
BindingDB Entry DOI: 10.7270/Q26H4JQ6 |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat)) | BDBM50425261
(CHEMBL2315475)Show SMILES NC(=O)c1ccc(nn1)N1CCC2(CC1)CCN(Cc1cccc(c1)C(F)(F)F)c1ccccc1O2 Show InChI InChI=1S/C26H26F3N5O2/c27-26(28,29)19-5-3-4-18(16-19)17-34-15-12-25(36-22-7-2-1-6-21(22)34)10-13-33(14-11-25)23-9-8-20(24(30)35)31-32-23/h1-9,16H,10-15,17H2,(H2,30,35) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of rat SCD1 by rat microsomal assay |
Bioorg Med Chem Lett 23: 791-6 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.075
BindingDB Entry DOI: 10.7270/Q26H4JQ6 |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat)) | BDBM50425265
(CHEMBL2315479)Show SMILES FC(F)(F)c1cccc(CN2CCC3(CCN(CC3)c3ccc(cn3)C(=O)NCCC3CC3)Oc3ccccc23)c1 Show InChI InChI=1S/C32H35F3N4O2/c33-32(34,35)26-5-3-4-24(20-26)22-39-19-15-31(41-28-7-2-1-6-27(28)39)13-17-38(18-14-31)29-11-10-25(21-37-29)30(40)36-16-12-23-8-9-23/h1-7,10-11,20-21,23H,8-9,12-19,22H2,(H,36,40) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of rat SCD1 by rat microsomal assay |
Bioorg Med Chem Lett 23: 791-6 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.075
BindingDB Entry DOI: 10.7270/Q26H4JQ6 |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat)) | BDBM50425283
(CHEMBL2315498)Show SMILES CC(=O)NCC(=O)N1CCC2(CC1)CCN(Cc1ccc(cc1)C(C)(C)C)c1ccccc1O2 Show InChI InChI=1S/C28H37N3O3/c1-21(32)29-19-26(33)30-16-13-28(14-17-30)15-18-31(24-7-5-6-8-25(24)34-28)20-22-9-11-23(12-10-22)27(2,3)4/h5-12H,13-20H2,1-4H3,(H,29,32) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of rat SCD1 by rat microsomal assay |
Bioorg Med Chem Lett 23: 791-6 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.075
BindingDB Entry DOI: 10.7270/Q26H4JQ6 |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat)) | BDBM50425277
(CHEMBL2315490)Show SMILES CC(C)(C)c1ccc(CC(=O)N2CCC3(CC2)CCN(CNC(=O)c2ccco2)c2ccccc2O3)cc1 Show InChI InChI=1S/C31H37N3O4/c1-30(2,3)24-12-10-23(11-13-24)21-28(35)33-17-14-31(15-18-33)16-19-34(25-7-4-5-8-26(25)38-31)22-32-29(36)27-9-6-20-37-27/h4-13,20H,14-19,21-22H2,1-3H3,(H,32,36) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of rat SCD1 by rat microsomal assay |
Bioorg Med Chem Lett 23: 791-6 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.075
BindingDB Entry DOI: 10.7270/Q26H4JQ6 |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat)) | BDBM50425289
(CHEMBL2315503)Show SMILES CC(=O)NCC(=O)N1CCC2(CC1)CCN(Cc1cccc(c1)C(F)(F)F)c1ccccc1O2 Show InChI InChI=1S/C25H28F3N3O3/c1-18(32)29-16-23(33)30-12-9-24(10-13-30)11-14-31(21-7-2-3-8-22(21)34-24)17-19-5-4-6-20(15-19)25(26,27)28/h2-8,15H,9-14,16-17H2,1H3,(H,29,32) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of rat SCD1 by rat microsomal assay |
Bioorg Med Chem Lett 23: 791-6 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.075
BindingDB Entry DOI: 10.7270/Q26H4JQ6 |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat)) | BDBM50425267
(CHEMBL2315481)Show SMILES CC(C)(C)c1ccc(CN2CCC3(CCN(CC3)c3ccc(nn3)C(=O)NCCC3CC3)Oc3ccccc23)cc1 Show InChI InChI=1S/C34H43N5O2/c1-33(2,3)27-12-10-26(11-13-27)24-39-23-19-34(41-30-7-5-4-6-29(30)39)17-21-38(22-18-34)31-15-14-28(36-37-31)32(40)35-20-16-25-8-9-25/h4-7,10-15,25H,8-9,16-24H2,1-3H3,(H,35,40) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of rat SCD1 by rat microsomal assay |
Bioorg Med Chem Lett 23: 791-6 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.075
BindingDB Entry DOI: 10.7270/Q26H4JQ6 |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat)) | BDBM50425284
(CHEMBL2315497)Show SMILES CC(C)c1ccc(CCN2CCC3(CCN(CC3)C(=O)CNC(C)=O)Oc3ccccc23)cc1 Show InChI InChI=1S/C28H37N3O3/c1-21(2)24-10-8-23(9-11-24)12-16-30-17-13-28(34-26-7-5-4-6-25(26)30)14-18-31(19-15-28)27(33)20-29-22(3)32/h4-11,21H,12-20H2,1-3H3,(H,29,32) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of rat SCD1 by rat microsomal assay |
Bioorg Med Chem Lett 23: 791-6 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.075
BindingDB Entry DOI: 10.7270/Q26H4JQ6 |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat)) | BDBM50425285
(CHEMBL2315496)Show SMILES CCc1ccc(CN2CCC3(CCN(CC3)C(=O)CNC(C)=O)Oc3ccccc23)cc1 Show InChI InChI=1S/C26H33N3O3/c1-3-21-8-10-22(11-9-21)19-29-17-14-26(32-24-7-5-4-6-23(24)29)12-15-28(16-13-26)25(31)18-27-20(2)30/h4-11H,3,12-19H2,1-2H3,(H,27,30) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 57 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of rat SCD1 by rat microsomal assay |
Bioorg Med Chem Lett 23: 791-6 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.075
BindingDB Entry DOI: 10.7270/Q26H4JQ6 |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat)) | BDBM50425262
(CHEMBL2315476)Show SMILES CCCNC(=O)c1ccc(nn1)N1CCC2(CC1)CCN(Cc1cccc(c1)C(F)(F)F)c1ccccc1O2 Show InChI InChI=1S/C29H32F3N5O2/c1-2-15-33-27(38)23-10-11-26(35-34-23)36-16-12-28(13-17-36)14-18-37(24-8-3-4-9-25(24)39-28)20-21-6-5-7-22(19-21)29(30,31)32/h3-11,19H,2,12-18,20H2,1H3,(H,33,38) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of rat SCD1 by rat microsomal assay |
Bioorg Med Chem Lett 23: 791-6 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.075
BindingDB Entry DOI: 10.7270/Q26H4JQ6 |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat)) | BDBM50425275
(CHEMBL2315488)Show SMILES CC(C)(C)c1ccc(CC(=O)N2CCC3(CC2)CCN(CNC(=O)c2cccs2)c2ccccc2O3)cc1 Show InChI InChI=1S/C31H37N3O3S/c1-30(2,3)24-12-10-23(11-13-24)21-28(35)33-17-14-31(15-18-33)16-19-34(25-7-4-5-8-26(25)37-31)22-32-29(36)27-9-6-20-38-27/h4-13,20H,14-19,21-22H2,1-3H3,(H,32,36) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of rat SCD1 by rat microsomal assay |
Bioorg Med Chem Lett 23: 791-6 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.075
BindingDB Entry DOI: 10.7270/Q26H4JQ6 |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat)) | BDBM50425272
(CHEMBL2315486)Show SMILES CC(C)(C)c1ccc(CC(=O)N2CCC3(CC2)CCN(CCC(N)=O)c2ccccc2O3)cc1 Show InChI InChI=1S/C28H37N3O3/c1-27(2,3)22-10-8-21(9-11-22)20-26(33)31-18-14-28(15-19-31)13-17-30(16-12-25(29)32)23-6-4-5-7-24(23)34-28/h4-11H,12-20H2,1-3H3,(H2,29,32) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of rat SCD1 by rat microsomal assay |
Bioorg Med Chem Lett 23: 791-6 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.075
BindingDB Entry DOI: 10.7270/Q26H4JQ6 |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat)) | BDBM50425280
(CHEMBL2315493)Show SMILES CC(C)(C)c1ccc(CC(=O)N2CCC3(CC2)CCN(CNC(=O)c2ccccc2)c2ccccc2O3)cc1 Show InChI InChI=1S/C33H39N3O3/c1-32(2,3)27-15-13-25(14-16-27)23-30(37)35-20-17-33(18-21-35)19-22-36(28-11-7-8-12-29(28)39-33)24-34-31(38)26-9-5-4-6-10-26/h4-16H,17-24H2,1-3H3,(H,34,38) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 350 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of rat SCD1 by rat microsomal assay |
Bioorg Med Chem Lett 23: 791-6 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.075
BindingDB Entry DOI: 10.7270/Q26H4JQ6 |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat)) | BDBM50425276
(CHEMBL2315491)Show SMILES FC(F)(F)c1cccc(CC(=O)N2CCC3(CC2)CCN(CNC(=O)c2ccco2)c2ccccc2O3)c1 Show InChI InChI=1S/C28H28F3N3O4/c29-28(30,31)21-6-3-5-20(17-21)18-25(35)33-13-10-27(11-14-33)12-15-34(22-7-1-2-8-23(22)38-27)19-32-26(36)24-9-4-16-37-24/h1-9,16-17H,10-15,18-19H2,(H,32,36) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 380 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of rat SCD1 by rat microsomal assay |
Bioorg Med Chem Lett 23: 791-6 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.075
BindingDB Entry DOI: 10.7270/Q26H4JQ6 |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat)) | BDBM50425295
(CHEMBL2315509)Show SMILES CCc1ccccc1CN1CCC2(CCN(CC2)C(=O)CNC(C)=O)Oc2ccccc12 Show InChI InChI=1S/C26H33N3O3/c1-3-21-8-4-5-9-22(21)19-29-17-14-26(32-24-11-7-6-10-23(24)29)12-15-28(16-13-26)25(31)18-27-20(2)30/h4-11H,3,12-19H2,1-2H3,(H,27,30) | PDB
UniProtKB/SwissProt
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UniChem
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| Article
PubMed
| n/a | n/a | 430 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of rat SCD1 by rat microsomal assay |
Bioorg Med Chem Lett 23: 791-6 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.075
BindingDB Entry DOI: 10.7270/Q26H4JQ6 |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat)) | BDBM50425269
(CHEMBL2315483)Show SMILES CC(C)(C)c1ccc(CC(=O)N2CCC3(CC2)CCN(CC#N)c2ccccc2O3)cc1 Show InChI InChI=1S/C27H33N3O2/c1-26(2,3)22-10-8-21(9-11-22)20-25(31)30-17-13-27(14-18-30)12-16-29(19-15-28)23-6-4-5-7-24(23)32-27/h4-11H,12-14,16-20H2,1-3H3 | PDB
UniProtKB/SwissProt
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UniChem
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| Article
PubMed
| n/a | n/a | 440 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of rat SCD1 by rat microsomal assay |
Bioorg Med Chem Lett 23: 791-6 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.075
BindingDB Entry DOI: 10.7270/Q26H4JQ6 |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat)) | BDBM50425288
(CHEMBL2315504)Show SMILES CC(=O)NCC(=O)N1CCC2(CC1)CCN(Cc1ccc(F)cc1)c1ccccc1O2 Show InChI InChI=1S/C24H28FN3O3/c1-18(29)26-16-23(30)27-13-10-24(11-14-27)12-15-28(17-19-6-8-20(25)9-7-19)21-4-2-3-5-22(21)31-24/h2-9H,10-17H2,1H3,(H,26,29) | PDB
UniProtKB/SwissProt
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| Article
PubMed
| n/a | n/a | 460 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of rat SCD1 by rat microsomal assay |
Bioorg Med Chem Lett 23: 791-6 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.075
BindingDB Entry DOI: 10.7270/Q26H4JQ6 |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat)) | BDBM50425290
(CHEMBL2315502)Show SMILES CC(=O)NCC(=O)N1CCC2(CC1)CCN(Cc1cccc(OC(F)(F)F)c1)c1ccccc1O2 Show InChI InChI=1S/C25H28F3N3O4/c1-18(32)29-16-23(33)30-12-9-24(10-13-30)11-14-31(21-7-2-3-8-22(21)35-24)17-19-5-4-6-20(15-19)34-25(26,27)28/h2-8,15H,9-14,16-17H2,1H3,(H,29,32) | PDB
UniProtKB/SwissProt
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| Article
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| n/a | n/a | 680 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of rat SCD1 by rat microsomal assay |
Bioorg Med Chem Lett 23: 791-6 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.075
BindingDB Entry DOI: 10.7270/Q26H4JQ6 |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat)) | BDBM50425292
(CHEMBL2315500)Show SMILES CC(=O)NCC(=O)N1CCC2(CC1)CCN(Cc1cccc(Cl)c1)c1ccccc1O2 Show InChI InChI=1S/C24H28ClN3O3/c1-18(29)26-16-23(30)27-12-9-24(10-13-27)11-14-28(17-19-5-4-6-20(25)15-19)21-7-2-3-8-22(21)31-24/h2-8,15H,9-14,16-17H2,1H3,(H,26,29) | PDB
UniProtKB/SwissProt
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UniChem
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| Article
PubMed
| n/a | n/a | 830 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of rat SCD1 by rat microsomal assay |
Bioorg Med Chem Lett 23: 791-6 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.075
BindingDB Entry DOI: 10.7270/Q26H4JQ6 |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat)) | BDBM50425263
(CHEMBL2315477)Show SMILES FC(F)(F)c1cccc(CN2CCC3(CCN(CC3)c3ncc(s3)C(=O)NCCC3CC3)Oc3ccccc23)c1 Show InChI InChI=1S/C30H33F3N4O2S/c31-30(32,33)23-5-3-4-22(18-23)20-37-17-13-29(39-25-7-2-1-6-24(25)37)11-15-36(16-12-29)28-35-19-26(40-28)27(38)34-14-10-21-8-9-21/h1-7,18-19,21H,8-17,20H2,(H,34,38) | PDB
UniProtKB/SwissProt
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| Article
PubMed
| n/a | n/a | 930 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of rat SCD1 by rat microsomal assay |
Bioorg Med Chem Lett 23: 791-6 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.075
BindingDB Entry DOI: 10.7270/Q26H4JQ6 |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat)) | BDBM50425286
(CHEMBL2315495)Show SMILES CC(=O)NCC(=O)N1CCC2(CC1)CCN(Cc1ccc(C)cc1)c1ccccc1O2 Show InChI InChI=1S/C25H31N3O3/c1-19-7-9-21(10-8-19)18-28-16-13-25(31-23-6-4-3-5-22(23)28)11-14-27(15-12-25)24(30)17-26-20(2)29/h3-10H,11-18H2,1-2H3,(H,26,29) | PDB
UniProtKB/SwissProt
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PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of rat SCD1 by rat microsomal assay |
Bioorg Med Chem Lett 23: 791-6 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.075
BindingDB Entry DOI: 10.7270/Q26H4JQ6 |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat)) | BDBM50425303
(CHEMBL2315513)Show SMILES CC(=O)NCC(=O)N1CCC2(CC1)CCN(Cc1ccccc1)c1ccccc1O2 Show InChI InChI=1S/C24H29N3O3/c1-19(28)25-17-23(29)26-14-11-24(12-15-26)13-16-27(18-20-7-3-2-4-8-20)21-9-5-6-10-22(21)30-24/h2-10H,11-18H2,1H3,(H,25,28) | PDB
UniProtKB/SwissProt
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PC cid
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PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of rat SCD1 by rat microsomal assay |
Bioorg Med Chem Lett 23: 791-6 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.075
BindingDB Entry DOI: 10.7270/Q26H4JQ6 |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat)) | BDBM50425296
(CHEMBL2315508)Show SMILES CC(=O)NCC(=O)N1CCC2(CC1)CCN(Cc1ccccc1C)c1ccccc1O2 Show InChI InChI=1S/C25H31N3O3/c1-19-7-3-4-8-21(19)18-28-16-13-25(31-23-10-6-5-9-22(23)28)11-14-27(15-12-25)24(30)17-26-20(2)29/h3-10H,11-18H2,1-2H3,(H,26,29) | PDB
UniProtKB/SwissProt
GoogleScholar
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PC cid
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UniChem
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| Article
PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of rat SCD1 by rat microsomal assay |
Bioorg Med Chem Lett 23: 791-6 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.075
BindingDB Entry DOI: 10.7270/Q26H4JQ6 |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat)) | BDBM50425297
(CHEMBL2315507)Show SMILES CC(=O)NCC(=O)N1CCC2(CC1)CCN(Cc1ccccc1Cl)c1ccccc1O2 Show InChI InChI=1S/C24H28ClN3O3/c1-18(29)26-16-23(30)27-13-10-24(11-14-27)12-15-28(17-19-6-2-3-7-20(19)25)21-8-4-5-9-22(21)31-24/h2-9H,10-17H2,1H3,(H,26,29) | PDB
UniProtKB/SwissProt
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PC cid
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UniChem
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| Article
PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of rat SCD1 by rat microsomal assay |
Bioorg Med Chem Lett 23: 791-6 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.075
BindingDB Entry DOI: 10.7270/Q26H4JQ6 |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat)) | BDBM50425278
(CHEMBL2315489)Show SMILES CC(C)(C)c1ccc(CC(=O)N2CCC3(CC2)CCN(CNC(=O)c2cccnc2)c2ccccc2O3)cc1 Show InChI InChI=1S/C32H38N4O3/c1-31(2,3)26-12-10-24(11-13-26)21-29(37)35-18-14-32(15-19-35)16-20-36(27-8-4-5-9-28(27)39-32)23-34-30(38)25-7-6-17-33-22-25/h4-13,17,22H,14-16,18-21,23H2,1-3H3,(H,34,38) | PDB
UniProtKB/SwissProt
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PubMed
| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of rat SCD1 by rat microsomal assay |
Bioorg Med Chem Lett 23: 791-6 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.075
BindingDB Entry DOI: 10.7270/Q26H4JQ6 |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat)) | BDBM50425299
(CHEMBL2315517)Show SMILES CC(=O)NCC(=O)N1CCC2(CC1)CCN(CCc1ccccc1)c1ccccc1O2 Show InChI InChI=1S/C25H31N3O3/c1-20(29)26-19-24(30)28-17-13-25(14-18-28)12-16-27(15-11-21-7-3-2-4-8-21)22-9-5-6-10-23(22)31-25/h2-10H,11-19H2,1H3,(H,26,29) | PDB
UniProtKB/SwissProt
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UniChem
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PubMed
| n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of rat SCD1 by rat microsomal assay |
Bioorg Med Chem Lett 23: 791-6 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.075
BindingDB Entry DOI: 10.7270/Q26H4JQ6 |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat)) | BDBM50425291
(CHEMBL2315501)Show SMILES COc1cccc(CN2CCC3(CCN(CC3)C(=O)CNC(C)=O)Oc3ccccc23)c1 Show InChI InChI=1S/C25H31N3O4/c1-19(29)26-17-24(30)27-13-10-25(11-14-27)12-15-28(22-8-3-4-9-23(22)32-25)18-20-6-5-7-21(16-20)31-2/h3-9,16H,10-15,17-18H2,1-2H3,(H,26,29) | PDB
UniProtKB/SwissProt
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UniChem
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| Article
PubMed
| n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of rat SCD1 by rat microsomal assay |
Bioorg Med Chem Lett 23: 791-6 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.075
BindingDB Entry DOI: 10.7270/Q26H4JQ6 |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat)) | BDBM50330381
(5-Fluoro-1'-{6-[5-(pyridin-3-ylmethyl)-1,3,4-oxadi...)Show SMILES Fc1cccc2OC3(CCN(CC3)c3ccc(nn3)-c3nnc(Cc4cccnc4)o3)CCc12 Show InChI InChI=1S/C25H23FN6O2/c26-19-4-1-5-21-18(19)8-9-25(34-21)10-13-32(14-11-25)22-7-6-20(28-29-22)24-31-30-23(33-24)15-17-3-2-12-27-16-17/h1-7,12,16H,8-11,13-15H2 | PDB
UniProtKB/SwissProt
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PC cid
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PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of rat SCD1 by rat microsomal assay |
Bioorg Med Chem Lett 23: 791-6 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.075
BindingDB Entry DOI: 10.7270/Q26H4JQ6 |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat)) | BDBM50425264
(CHEMBL2315478)Show SMILES FC(F)(F)c1cccc(CN2CCC3(CCN(CC3)c3ccc(cc3)C(=O)NCCC3CC3)Oc3ccccc23)c1 Show InChI InChI=1S/C33H36F3N3O2/c34-33(35,36)27-5-3-4-25(22-27)23-39-21-17-32(41-30-7-2-1-6-29(30)39)15-19-38(20-16-32)28-12-10-26(11-13-28)31(40)37-18-14-24-8-9-24/h1-7,10-13,22,24H,8-9,14-21,23H2,(H,37,40) | PDB
UniProtKB/SwissProt
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of rat SCD1 by rat microsomal assay |
Bioorg Med Chem Lett 23: 791-6 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.075
BindingDB Entry DOI: 10.7270/Q26H4JQ6 |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat)) | BDBM50425271
(CHEMBL2315485)Show SMILES NC(=O)CCN1CCC2(CCN(CC2)C(=O)Cc2cccc(c2)C(F)(F)F)Oc2ccccc12 Show InChI InChI=1S/C25H28F3N3O3/c26-25(27,28)19-5-3-4-18(16-19)17-23(33)31-14-10-24(11-15-31)9-13-30(12-8-22(29)32)20-6-1-2-7-21(20)34-24/h1-7,16H,8-15,17H2,(H2,29,32) | PDB
UniProtKB/SwissProt
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PubMed
| n/a | n/a | 2.45E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of rat SCD1 by rat microsomal assay |
Bioorg Med Chem Lett 23: 791-6 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.075
BindingDB Entry DOI: 10.7270/Q26H4JQ6 |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat)) | BDBM50425279
(CHEMBL2315494)Show SMILES FC(F)(F)c1cccc(CC(=O)N2CCC3(CC2)CCN(CNC(=O)c2ccccc2)c2ccccc2O3)c1 Show InChI InChI=1S/C30H30F3N3O3/c31-30(32,33)24-10-6-7-22(19-24)20-27(37)35-16-13-29(14-17-35)15-18-36(25-11-4-5-12-26(25)39-29)21-34-28(38)23-8-2-1-3-9-23/h1-12,19H,13-18,20-21H2,(H,34,38) | PDB
UniProtKB/SwissProt
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AffyNet
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of rat SCD1 by rat microsomal assay |
Bioorg Med Chem Lett 23: 791-6 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.075
BindingDB Entry DOI: 10.7270/Q26H4JQ6 |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat)) | BDBM50425294
(CHEMBL2315510)Show SMILES COc1ccccc1CN1CCC2(CCN(CC2)C(=O)CNC(C)=O)Oc2ccccc12 Show InChI InChI=1S/C25H31N3O4/c1-19(29)26-17-24(30)27-14-11-25(12-15-27)13-16-28(21-8-4-6-10-23(21)32-25)18-20-7-3-5-9-22(20)31-2/h3-10H,11-18H2,1-2H3,(H,26,29) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of rat SCD1 by rat microsomal assay |
Bioorg Med Chem Lett 23: 791-6 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.075
BindingDB Entry DOI: 10.7270/Q26H4JQ6 |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat)) | BDBM50425253
(CHEMBL2315519)Show SMILES OC(=O)Cn1nnc(n1)-c1cc(no1)N1CCC(CC1)Oc1ccccc1C(F)(F)F Show InChI InChI=1S/C18H17F3N6O4/c19-18(20,21)12-3-1-2-4-13(12)30-11-5-7-26(8-6-11)15-9-14(31-24-15)17-22-25-27(23-17)10-16(28)29/h1-4,9,11H,5-8,10H2,(H,28,29) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of rat SCD1 by rat microsomal assay |
Bioorg Med Chem Lett 23: 791-6 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.075
BindingDB Entry DOI: 10.7270/Q26H4JQ6 |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat)) | BDBM50425268
(CHEMBL2315482)Show SMILES CC(C)(C)c1ccc(CC(=O)N2CCC3(CC2)CCN(CCc2cccnc2)c2ccccc2O3)cc1 Show InChI InChI=1S/C32H39N3O2/c1-31(2,3)27-12-10-25(11-13-27)23-30(36)35-21-16-32(17-22-35)15-20-34(19-14-26-7-6-18-33-24-26)28-8-4-5-9-29(28)37-32/h4-13,18,24H,14-17,19-23H2,1-3H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of rat SCD1 by rat microsomal assay |
Bioorg Med Chem Lett 23: 791-6 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.075
BindingDB Entry DOI: 10.7270/Q26H4JQ6 |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat)) | BDBM50425260
(CHEMBL2315474)Show SMILES OC(=O)c1ccc(nn1)N1CCC2(CC1)CCN(Cc1cccc(c1)C(F)(F)F)c1ccccc1O2 Show InChI InChI=1S/C26H25F3N4O3/c27-26(28,29)19-5-3-4-18(16-19)17-33-15-12-25(36-22-7-2-1-6-21(22)33)10-13-32(14-11-25)23-9-8-20(24(34)35)30-31-23/h1-9,16H,10-15,17H2,(H,34,35) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of rat SCD1 by rat microsomal assay |
Bioorg Med Chem Lett 23: 791-6 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.075
BindingDB Entry DOI: 10.7270/Q26H4JQ6 |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat)) | BDBM50425270
(CHEMBL2315484)Show SMILES CN(C)C(=O)CCN1CCC2(CCN(CC2)C(=O)Cc2ccc(cc2)C(C)(C)C)Oc2ccccc12 Show InChI InChI=1S/C30H41N3O3/c1-29(2,3)24-12-10-23(11-13-24)22-28(35)33-20-16-30(17-21-33)15-19-32(18-14-27(34)31(4)5)25-8-6-7-9-26(25)36-30/h6-13H,14-22H2,1-5H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of rat SCD1 by rat microsomal assay |
Bioorg Med Chem Lett 23: 791-6 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.075
BindingDB Entry DOI: 10.7270/Q26H4JQ6 |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Mus musculus) | BDBM50425273
(CHEMBL2315512)Show SMILES CC(C)CCN1CCC2(CCN(CC2)C(=O)CNC(C)=O)Oc2ccccc12 Show InChI InChI=1S/C22H33N3O3/c1-17(2)8-12-24-13-9-22(28-20-7-5-4-6-19(20)24)10-14-25(15-11-22)21(27)16-23-18(3)26/h4-7,17H,8-16H2,1-3H3,(H,23,26) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse SCD1 |
Bioorg Med Chem Lett 23: 791-6 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.075
BindingDB Entry DOI: 10.7270/Q26H4JQ6 |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat)) | BDBM50425274
(CHEMBL2315487)Show SMILES CC(C)(C)c1ccc(CC(=O)N2CCC3(CC2)CCN(CNC(=O)Cc2ccccc2)c2ccccc2O3)cc1 Show InChI InChI=1S/C34H41N3O3/c1-33(2,3)28-15-13-27(14-16-28)24-32(39)36-20-17-34(18-21-36)19-22-37(29-11-7-8-12-30(29)40-34)25-35-31(38)23-26-9-5-4-6-10-26/h4-16H,17-25H2,1-3H3,(H,35,38) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of rat SCD1 by rat microsomal assay |
Bioorg Med Chem Lett 23: 791-6 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.075
BindingDB Entry DOI: 10.7270/Q26H4JQ6 |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat)) | BDBM50425298
(CHEMBL2315506)Show SMILES CC(=O)NCC(=O)N1CCC2(CC1)CCN(Cc1ccccc1F)c1ccccc1O2 Show InChI InChI=1S/C24H28FN3O3/c1-18(29)26-16-23(30)27-13-10-24(11-14-27)12-15-28(17-19-6-2-3-7-20(19)25)21-8-4-5-9-22(21)31-24/h2-9H,10-17H2,1H3,(H,26,29) | PDB
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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of rat SCD1 by rat microsomal assay |
Bioorg Med Chem Lett 23: 791-6 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.075
BindingDB Entry DOI: 10.7270/Q26H4JQ6 |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat)) | BDBM50425287
(CHEMBL2315505)Show SMILES CC(=O)NCC(=O)N1CCC2(CC1)CCN(Cc1ccc(Cl)cc1)c1ccccc1O2 Show InChI InChI=1S/C24H28ClN3O3/c1-18(29)26-16-23(30)27-13-10-24(11-14-27)12-15-28(17-19-6-8-20(25)9-7-19)21-4-2-3-5-22(21)31-24/h2-9H,10-17H2,1H3,(H,26,29) | PDB
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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of rat SCD1 by rat microsomal assay |
Bioorg Med Chem Lett 23: 791-6 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.075
BindingDB Entry DOI: 10.7270/Q26H4JQ6 |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat)) | BDBM50425300
(CHEMBL2315516)Show SMILES CC(=O)NCC(=O)N1CCC2(CC1)CCN(c1ccccc1)c1ccccc1O2 Show InChI InChI=1S/C23H27N3O3/c1-18(27)24-17-22(28)25-14-11-23(12-15-25)13-16-26(19-7-3-2-4-8-19)20-9-5-6-10-21(20)29-23/h2-10H,11-17H2,1H3,(H,24,27) | PDB
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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of rat SCD1 by rat microsomal assay |
Bioorg Med Chem Lett 23: 791-6 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.075
BindingDB Entry DOI: 10.7270/Q26H4JQ6 |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat)) | BDBM50425293
(CHEMBL2315511)Show SMILES CC(=O)NCC(=O)N1CCC2(CC1)CCN(Cc1cccc(F)c1)c1ccccc1O2 Show InChI InChI=1S/C24H28FN3O3/c1-18(29)26-16-23(30)27-12-9-24(10-13-27)11-14-28(17-19-5-4-6-20(25)15-19)21-7-2-3-8-22(21)31-24/h2-8,15H,9-14,16-17H2,1H3,(H,26,29) | PDB
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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of rat SCD1 by rat microsomal assay |
Bioorg Med Chem Lett 23: 791-6 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.075
BindingDB Entry DOI: 10.7270/Q26H4JQ6 |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat)) | BDBM50425281
(CHEMBL2315492)Show SMILES CC(=O)N1CCCC1N1CCC2(CCN(CC2)C(=O)Cc2ccc(cc2)C(C)(C)C)Oc2ccccc12 Show InChI InChI=1S/C31H41N3O3/c1-23(35)33-18-7-10-28(33)34-21-17-31(37-27-9-6-5-8-26(27)34)15-19-32(20-16-31)29(36)22-24-11-13-25(14-12-24)30(2,3)4/h5-6,8-9,11-14,28H,7,10,15-22H2,1-4H3 | PDB
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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of rat SCD1 by rat microsomal assay |
Bioorg Med Chem Lett 23: 791-6 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.075
BindingDB Entry DOI: 10.7270/Q26H4JQ6 |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat)) | BDBM50425302
(CHEMBL2315514)Show SMILES CC(C)CN1CCC2(CCN(CC2)C(=O)CNC(C)=O)Oc2ccccc12 Show InChI InChI=1S/C21H31N3O3/c1-16(2)15-24-13-10-21(27-19-7-5-4-6-18(19)24)8-11-23(12-9-21)20(26)14-22-17(3)25/h4-7,16H,8-15H2,1-3H3,(H,22,25) | PDB
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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of rat SCD1 by rat microsomal assay |
Bioorg Med Chem Lett 23: 791-6 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.075
BindingDB Entry DOI: 10.7270/Q26H4JQ6 |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat)) | BDBM50425282
(CHEMBL2315499)Show SMILES CC(NC(C)=O)N1CCC2(CCN(CC2)C(=O)Cc2ccc(cc2)C(C)(C)C)Oc2ccccc12 Show InChI InChI=1S/C29H39N3O3/c1-21(30-22(2)33)32-19-16-29(35-26-9-7-6-8-25(26)32)14-17-31(18-15-29)27(34)20-23-10-12-24(13-11-23)28(3,4)5/h6-13,21H,14-20H2,1-5H3,(H,30,33) | PDB
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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of rat SCD1 by rat microsomal assay |
Bioorg Med Chem Lett 23: 791-6 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.075
BindingDB Entry DOI: 10.7270/Q26H4JQ6 |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat)) | BDBM50425301
(CHEMBL2315515)Show InChI InChI=1S/C20H29N3O3/c1-3-11-22-12-8-20(26-18-7-5-4-6-17(18)22)9-13-23(14-10-20)19(25)15-21-16(2)24/h4-7H,3,8-15H2,1-2H3,(H,21,24) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of rat SCD1 by rat microsomal assay |
Bioorg Med Chem Lett 23: 791-6 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.075
BindingDB Entry DOI: 10.7270/Q26H4JQ6 |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat)) | BDBM50338522
(5-methyl-N-(1-methyl-1H-pyrazol-3-yl)-1-(3-(triflu...)Show SMILES Cc1c(ncn1Cc1cccc(c1)C(F)(F)F)C(=O)Nc1ccn(C)n1 Show InChI InChI=1S/C17H16F3N5O/c1-11-15(16(26)22-14-6-7-24(2)23-14)21-10-25(11)9-12-4-3-5-13(8-12)17(18,19)20/h3-8,10H,9H2,1-2H3,(H,22,23,26) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.17E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of rat SCD1 by rat microsomal assay |
Bioorg Med Chem Lett 23: 791-6 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.075
BindingDB Entry DOI: 10.7270/Q26H4JQ6 |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat)) | BDBM50425254
(CHEMBL2315518)Show SMILES COc1ccc(c(c1)C(=O)N1CCN(CC1)c1ccc(cn1)C(=O)NCCCc1ccccc1)C(F)(F)F Show InChI InChI=1S/C28H29F3N4O3/c1-38-22-10-11-24(28(29,30)31)23(18-22)27(37)35-16-14-34(15-17-35)25-12-9-21(19-33-25)26(36)32-13-5-8-20-6-3-2-4-7-20/h2-4,6-7,9-12,18-19H,5,8,13-17H2,1H3,(H,32,36) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of rat SCD1 by rat microsomal assay |
Bioorg Med Chem Lett 23: 791-6 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.075
BindingDB Entry DOI: 10.7270/Q26H4JQ6 |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat)) | BDBM50259175
(CHEMBL444433 | N-(3-(3,4-dichlorobenzyl)-4-oxo-3,4...)Show SMILES OCC(=O)Nc1ccc2ncn(Cc3ccc(Cl)c(Cl)c3)c(=O)c2c1 Show InChI InChI=1S/C17H13Cl2N3O3/c18-13-3-1-10(5-14(13)19)7-22-9-20-15-4-2-11(21-16(24)8-23)6-12(15)17(22)25/h1-6,9,23H,7-8H2,(H,21,24) | PDB
UniProtKB/SwissProt
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PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.61E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of rat SCD1 by rat microsomal assay |
Bioorg Med Chem Lett 23: 791-6 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.075
BindingDB Entry DOI: 10.7270/Q26H4JQ6 |
More data for this
Ligand-Target Pair | |
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