Found 26 hits Enz. Inhib. hit(s) with all data for entry = 50034547 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)) | BDBM50364041
(CHEMBL1950551)Show SMILES OC(=O)Cn1nnc(n1)-c1cnc(OCCCOc2cc(OC(F)(F)F)ccc2Br)s1 Show InChI InChI=1S/C16H13BrF3N5O5S/c17-10-3-2-9(30-16(18,19)20)6-11(10)28-4-1-5-29-15-21-7-12(31-15)14-22-24-25(23-14)8-13(26)27/h2-3,6-7H,1,4-5,8H2,(H,26,27) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of rat liver microsome SCD1 |
Bioorg Med Chem Lett 22: 623-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.070
BindingDB Entry DOI: 10.7270/Q26M379R |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat)) | BDBM50364040
(CHEMBL1950550)Show SMILES OC(=O)Cn1nnc(n1)-c1cnc(OCCCOc2cc(F)ccc2Br)s1 Show InChI InChI=1S/C15H13BrFN5O4S/c16-10-3-2-9(17)6-11(10)25-4-1-5-26-15-18-7-12(27-15)14-19-21-22(20-14)8-13(23)24/h2-3,6-7H,1,4-5,8H2,(H,23,24) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of rat liver microsome SCD1 |
Bioorg Med Chem Lett 22: 623-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.070
BindingDB Entry DOI: 10.7270/Q26M379R |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat)) | BDBM50364036
(CHEMBL1950546)Show SMILES OC(=O)Cn1nnc(n1)-c1cc(OCCCOc2cc(F)ccc2Br)no1 Show InChI InChI=1S/C15H13BrFN5O5/c16-10-3-2-9(17)6-11(10)25-4-1-5-26-13-7-12(27-20-13)15-18-21-22(19-15)8-14(23)24/h2-3,6-7H,1,4-5,8H2,(H,23,24) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of rat liver microsome SCD1 |
Bioorg Med Chem Lett 22: 623-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.070
BindingDB Entry DOI: 10.7270/Q26M379R |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat)) | BDBM50364042
(CHEMBL1950552)Show SMILES Cc1nc(OCCCOc2cc(F)ccc2Br)sc1-c1nnn(CC(O)=O)n1 Show InChI InChI=1S/C16H15BrFN5O4S/c1-9-14(15-20-22-23(21-15)8-13(24)25)28-16(19-9)27-6-2-5-26-12-7-10(18)3-4-11(12)17/h3-4,7H,2,5-6,8H2,1H3,(H,24,25) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of rat liver microsome SCD1 |
Bioorg Med Chem Lett 22: 623-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.070
BindingDB Entry DOI: 10.7270/Q26M379R |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat)) | BDBM50364039
(CHEMBL1950549)Show SMILES OC(=O)Cn1nnc(n1)-c1nnc(OCCCOc2cc(F)ccc2Br)s1 Show InChI InChI=1S/C14H12BrFN6O4S/c15-9-3-2-8(16)6-10(9)25-4-1-5-26-14-19-18-13(27-14)12-17-21-22(20-12)7-11(23)24/h2-3,6H,1,4-5,7H2,(H,23,24) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of rat liver microsome SCD1 |
Bioorg Med Chem Lett 22: 623-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.070
BindingDB Entry DOI: 10.7270/Q26M379R |
More data for this
Ligand-Target Pair | |
Stearoyl-CoA desaturase 5
(Homo sapiens (Human)) | BDBM50364036
(CHEMBL1950546)Show SMILES OC(=O)Cn1nnc(n1)-c1cc(OCCCOc2cc(F)ccc2Br)no1 Show InChI InChI=1S/C15H13BrFN5O5/c16-10-3-2-9(17)6-11(10)25-4-1-5-26-13-7-12(27-20-13)15-18-21-22(19-15)8-14(23)24/h2-3,6-7H,1,4-5,8H2,(H,23,24) | KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of human SCD5 |
Bioorg Med Chem Lett 22: 623-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.070
BindingDB Entry DOI: 10.7270/Q26M379R |
More data for this
Ligand-Target Pair | |
Stearoyl-CoA desaturase
(Homo sapiens (Human)) | BDBM50364036
(CHEMBL1950546)Show SMILES OC(=O)Cn1nnc(n1)-c1cc(OCCCOc2cc(F)ccc2Br)no1 Show InChI InChI=1S/C15H13BrFN5O5/c16-10-3-2-9(17)6-11(10)25-4-1-5-26-13-7-12(27-20-13)15-18-21-22(19-15)8-14(23)24/h2-3,6-7H,1,4-5,8H2,(H,23,24) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of human SCD1 |
Bioorg Med Chem Lett 22: 623-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.070
BindingDB Entry DOI: 10.7270/Q26M379R |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat)) | BDBM50362592
(CHEMBL1938870)Show SMILES OC(=O)Cn1nnc(n1)-c1cc(no1)N1CCC(CC1)Oc1cc(F)ccc1Br Show InChI InChI=1S/C17H16BrFN6O4/c18-12-2-1-10(19)7-13(12)28-11-3-5-24(6-4-11)15-8-14(29-22-15)17-20-23-25(21-17)9-16(26)27/h1-2,7-8,11H,3-6,9H2,(H,26,27) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 68 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in rat hepatocytes expressing OATP |
Bioorg Med Chem Lett 22: 623-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.070
BindingDB Entry DOI: 10.7270/Q26M379R |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat)) | BDBM50364041
(CHEMBL1950551)Show SMILES OC(=O)Cn1nnc(n1)-c1cnc(OCCCOc2cc(OC(F)(F)F)ccc2Br)s1 Show InChI InChI=1S/C16H13BrF3N5O5S/c17-10-3-2-9(30-16(18,19)20)6-11(10)28-4-1-5-29-15-21-7-12(31-15)14-22-24-25(23-14)8-13(26)27/h2-3,6-7H,1,4-5,8H2,(H,26,27) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 91 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in rat hepatocytes expressing OATP |
Bioorg Med Chem Lett 22: 623-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.070
BindingDB Entry DOI: 10.7270/Q26M379R |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat)) | BDBM50364040
(CHEMBL1950550)Show SMILES OC(=O)Cn1nnc(n1)-c1cnc(OCCCOc2cc(F)ccc2Br)s1 Show InChI InChI=1S/C15H13BrFN5O4S/c16-10-3-2-9(17)6-11(10)25-4-1-5-26-15-18-7-12(27-15)14-19-21-22(20-14)8-13(23)24/h2-3,6-7H,1,4-5,8H2,(H,23,24) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 176 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in rat hepatocytes expressing OATP |
Bioorg Med Chem Lett 22: 623-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.070
BindingDB Entry DOI: 10.7270/Q26M379R |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat)) | BDBM50364036
(CHEMBL1950546)Show SMILES OC(=O)Cn1nnc(n1)-c1cc(OCCCOc2cc(F)ccc2Br)no1 Show InChI InChI=1S/C15H13BrFN5O5/c16-10-3-2-9(17)6-11(10)25-4-1-5-26-13-7-12(27-20-13)15-18-21-22(19-15)8-14(23)24/h2-3,6-7H,1,4-5,8H2,(H,23,24) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 213 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in rat hepatocytes expressing OATP |
Bioorg Med Chem Lett 22: 623-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.070
BindingDB Entry DOI: 10.7270/Q26M379R |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat)) | BDBM50364035
(CHEMBL1950545)Show SMILES OC(=O)Cn1nnc(n1)-c1cc(OCCOc2cc(F)ccc2Br)no1 Show InChI InChI=1S/C14H11BrFN5O5/c15-9-2-1-8(16)5-10(9)24-3-4-25-12-6-11(26-19-12)14-17-20-21(18-14)7-13(22)23/h1-2,5-6H,3-4,7H2,(H,22,23) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 226 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of rat liver microsome SCD1 |
Bioorg Med Chem Lett 22: 623-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.070
BindingDB Entry DOI: 10.7270/Q26M379R |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat)) | BDBM50364037
(CHEMBL1950547)Show SMILES OC(=O)Cn1nnc(n1)-c1cc(OCCCCOc2cc(F)ccc2Br)no1 Show InChI InChI=1S/C16H15BrFN5O5/c17-11-4-3-10(18)7-12(11)26-5-1-2-6-27-14-8-13(28-21-14)16-19-22-23(20-16)9-15(24)25/h3-4,7-8H,1-2,5-6,9H2,(H,24,25) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 248 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of rat liver microsome SCD1 |
Bioorg Med Chem Lett 22: 623-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.070
BindingDB Entry DOI: 10.7270/Q26M379R |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat)) | BDBM50364038
(CHEMBL1950548)Show SMILES OC(=O)Cn1nnc(n1)-c1cc(OCCOCc2cc(F)ccc2Br)no1 Show InChI InChI=1S/C15H13BrFN5O5/c16-11-2-1-10(17)5-9(11)8-25-3-4-26-13-6-12(27-20-13)15-18-21-22(19-15)7-14(23)24/h1-2,5-6H,3-4,7-8H2,(H,23,24) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 305 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of rat liver microsome SCD1 |
Bioorg Med Chem Lett 22: 623-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.070
BindingDB Entry DOI: 10.7270/Q26M379R |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat)) | BDBM50364042
(CHEMBL1950552)Show SMILES Cc1nc(OCCCOc2cc(F)ccc2Br)sc1-c1nnn(CC(O)=O)n1 Show InChI InChI=1S/C16H15BrFN5O4S/c1-9-14(15-20-22-23(21-15)8-13(24)25)28-16(19-9)27-6-2-5-26-12-7-10(18)3-4-11(12)17/h3-4,7H,2,5-6,8H2,1H3,(H,24,25) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 945 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in rat hepatocytes expressing OATP |
Bioorg Med Chem Lett 22: 623-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.070
BindingDB Entry DOI: 10.7270/Q26M379R |
More data for this
Ligand-Target Pair | |
Stearoyl-CoA desaturase
(Homo sapiens (Human)) | BDBM50364041
(CHEMBL1950551)Show SMILES OC(=O)Cn1nnc(n1)-c1cnc(OCCCOc2cc(OC(F)(F)F)ccc2Br)s1 Show InChI InChI=1S/C16H13BrF3N5O5S/c17-10-3-2-9(30-16(18,19)20)6-11(10)28-4-1-5-29-15-21-7-12(31-15)14-22-24-25(23-14)8-13(26)27/h2-3,6-7H,1,4-5,8H2,(H,26,27) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 969 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in OATP-deficient human HepG2 cells by whole cell assay |
Bioorg Med Chem Lett 22: 623-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.070
BindingDB Entry DOI: 10.7270/Q26M379R |
More data for this
Ligand-Target Pair | |
Stearoyl-CoA desaturase
(Homo sapiens (Human)) | BDBM50362592
(CHEMBL1938870)Show SMILES OC(=O)Cn1nnc(n1)-c1cc(no1)N1CCC(CC1)Oc1cc(F)ccc1Br Show InChI InChI=1S/C17H16BrFN6O4/c18-12-2-1-10(19)7-13(12)28-11-3-5-24(6-4-11)15-8-14(29-22-15)17-20-23-25(21-17)9-16(26)27/h1-2,7-8,11H,3-6,9H2,(H,26,27) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 1.07E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in OATP-deficient human HepG2 cells by whole cell assay |
Bioorg Med Chem Lett 22: 623-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.070
BindingDB Entry DOI: 10.7270/Q26M379R |
More data for this
Ligand-Target Pair | |
Stearoyl-CoA desaturase
(Homo sapiens (Human)) | BDBM50364040
(CHEMBL1950550)Show SMILES OC(=O)Cn1nnc(n1)-c1cnc(OCCCOc2cc(F)ccc2Br)s1 Show InChI InChI=1S/C15H13BrFN5O4S/c16-10-3-2-9(17)6-11(10)25-4-1-5-26-15-18-7-12(27-15)14-19-21-22(20-14)8-13(23)24/h2-3,6-7H,1,4-5,8H2,(H,23,24) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.87E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in OATP-deficient human HepG2 cells by whole cell assay |
Bioorg Med Chem Lett 22: 623-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.070
BindingDB Entry DOI: 10.7270/Q26M379R |
More data for this
Ligand-Target Pair | |
Stearoyl-CoA desaturase
(Homo sapiens (Human)) | BDBM50364036
(CHEMBL1950546)Show SMILES OC(=O)Cn1nnc(n1)-c1cc(OCCCOc2cc(F)ccc2Br)no1 Show InChI InChI=1S/C15H13BrFN5O5/c16-10-3-2-9(17)6-11(10)25-4-1-5-26-13-7-12(27-20-13)15-18-21-22(19-15)8-14(23)24/h2-3,6-7H,1,4-5,8H2,(H,23,24) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 7.74E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in OATP-deficient human HepG2 cells by whole cell assay |
Bioorg Med Chem Lett 22: 623-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.070
BindingDB Entry DOI: 10.7270/Q26M379R |
More data for this
Ligand-Target Pair | |
Acyl-CoA (8-3)-desaturase
(Homo sapiens (Human)) | BDBM50364036
(CHEMBL1950546)Show SMILES OC(=O)Cn1nnc(n1)-c1cc(OCCCOc2cc(F)ccc2Br)no1 Show InChI InChI=1S/C15H13BrFN5O5/c16-10-3-2-9(17)6-11(10)25-4-1-5-26-13-7-12(27-20-13)15-18-21-22(19-15)8-14(23)24/h2-3,6-7H,1,4-5,8H2,(H,23,24) | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of delta-5 desaturase expressed in HepG2 cells |
Bioorg Med Chem Lett 22: 623-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.070
BindingDB Entry DOI: 10.7270/Q26M379R |
More data for this
Ligand-Target Pair | |
Acyl-CoA 6-desaturase
(Homo sapiens (Human)) | BDBM50364036
(CHEMBL1950546)Show SMILES OC(=O)Cn1nnc(n1)-c1cc(OCCCOc2cc(F)ccc2Br)no1 Show InChI InChI=1S/C15H13BrFN5O5/c16-10-3-2-9(17)6-11(10)25-4-1-5-26-13-7-12(27-20-13)15-18-21-22(19-15)8-14(23)24/h2-3,6-7H,1,4-5,8H2,(H,23,24) | Reactome pathway
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| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of delta-6 desaturase expressed in HepG2 cells |
Bioorg Med Chem Lett 22: 623-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.070
BindingDB Entry DOI: 10.7270/Q26M379R |
More data for this
Ligand-Target Pair | |
Stearoyl-CoA desaturase
(Homo sapiens (Human)) | BDBM50364042
(CHEMBL1950552)Show SMILES Cc1nc(OCCCOc2cc(F)ccc2Br)sc1-c1nnn(CC(O)=O)n1 Show InChI InChI=1S/C16H15BrFN5O4S/c1-9-14(15-20-22-23(21-15)8-13(24)25)28-16(19-9)27-6-2-5-26-12-7-10(18)3-4-11(12)17/h3-4,7H,2,5-6,8H2,1H3,(H,24,25) | PDB
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| n/a | n/a | 2.05E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in OATP-deficient human HepG2 cells by whole cell assay |
Bioorg Med Chem Lett 22: 623-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.070
BindingDB Entry DOI: 10.7270/Q26M379R |
More data for this
Ligand-Target Pair | |
Stearoyl-CoA desaturase
(Homo sapiens (Human)) | BDBM50364037
(CHEMBL1950547)Show SMILES OC(=O)Cn1nnc(n1)-c1cc(OCCCCOc2cc(F)ccc2Br)no1 Show InChI InChI=1S/C16H15BrFN5O5/c17-11-4-3-10(18)7-12(11)26-5-1-2-6-27-14-8-13(28-21-14)16-19-22-23(20-16)9-15(24)25/h3-4,7-8H,1-2,5-6,9H2,(H,24,25) | PDB
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| n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in OATP-deficient human HepG2 cells by whole cell assay |
Bioorg Med Chem Lett 22: 623-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.070
BindingDB Entry DOI: 10.7270/Q26M379R |
More data for this
Ligand-Target Pair | |
Stearoyl-CoA desaturase
(Homo sapiens (Human)) | BDBM50364035
(CHEMBL1950545)Show SMILES OC(=O)Cn1nnc(n1)-c1cc(OCCOc2cc(F)ccc2Br)no1 Show InChI InChI=1S/C14H11BrFN5O5/c15-9-2-1-8(16)5-10(9)24-3-4-25-12-6-11(26-19-12)14-17-20-21(18-14)7-13(22)23/h1-2,5-6H,3-4,7H2,(H,22,23) | PDB
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| n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in OATP-deficient human HepG2 cells by whole cell assay |
Bioorg Med Chem Lett 22: 623-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.070
BindingDB Entry DOI: 10.7270/Q26M379R |
More data for this
Ligand-Target Pair | |
Stearoyl-CoA desaturase
(Homo sapiens (Human)) | BDBM50364039
(CHEMBL1950549)Show SMILES OC(=O)Cn1nnc(n1)-c1nnc(OCCCOc2cc(F)ccc2Br)s1 Show InChI InChI=1S/C14H12BrFN6O4S/c15-9-3-2-8(16)6-10(9)25-4-1-5-26-14-19-18-13(27-14)12-17-21-22(20-12)7-11(23)24/h2-3,6H,1,4-5,7H2,(H,23,24) | PDB
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UniProtKB/SwissProt
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PC cid
PC sid
UniChem
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PubMed
| n/a | n/a | >6.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in OATP-deficient human HepG2 cells by whole cell assay |
Bioorg Med Chem Lett 22: 623-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.070
BindingDB Entry DOI: 10.7270/Q26M379R |
More data for this
Ligand-Target Pair | |
Stearoyl-CoA desaturase
(Homo sapiens (Human)) | BDBM50364038
(CHEMBL1950548)Show SMILES OC(=O)Cn1nnc(n1)-c1cc(OCCOCc2cc(F)ccc2Br)no1 Show InChI InChI=1S/C15H13BrFN5O5/c16-11-2-1-10(17)5-9(11)8-25-3-4-26-13-6-12(27-20-13)15-18-21-22(19-15)7-14(23)24/h1-2,5-6H,3-4,7-8H2,(H,23,24) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
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 Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in OATP-deficient human HepG2 cells by whole cell assay |
Bioorg Med Chem Lett 22: 623-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.070
BindingDB Entry DOI: 10.7270/Q26M379R |
More data for this
Ligand-Target Pair | |
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