Found 8 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50028342 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 6-desaturase
(Rattus norvegicus) | BDBM50258014
(CHEMBL494750 | N-(2-(2-(3,4-dichlorobenzylamino)-6...)Show SMILES COc1ccc(cc1)-c1nc2cnc(NCc3ccc(Cl)c(Cl)c3)nc2n(CCNC(C)=O)c1=O Show InChI InChI=1S/C24H22Cl2N6O3/c1-14(33)27-9-10-32-22-20(30-21(23(32)34)16-4-6-17(35-2)7-5-16)13-29-24(31-22)28-12-15-3-8-18(25)19(26)11-15/h3-8,11,13H,9-10,12H2,1-2H3,(H,27,33)(H,28,29,31) | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >30 | n/a | n/a | n/a | n/a | n/a | n/a |
CV Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of rat microsomal Delta6-desaturase |
Bioorg Med Chem Lett 19: 2048-52 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.019
BindingDB Entry DOI: 10.7270/Q2XG9R1S |
More data for this
Ligand-Target Pair | |
Acyl-CoA 6-desaturase
(Rattus norvegicus) | BDBM50258197
(CHEMBL495191 | N-(2-(6-(3,4-dichlorobenzylamino)-2...)Show SMILES COc1ccc(cc1)-c1nc2ccc(NCc3ccc(Cl)c(Cl)c3)nc2n(CCNC(C)=O)c1=O Show InChI InChI=1S/C25H23Cl2N5O3/c1-15(33)28-11-12-32-24-21(30-23(25(32)34)17-4-6-18(35-2)7-5-17)9-10-22(31-24)29-14-16-3-8-19(26)20(27)13-16/h3-10,13H,11-12,14H2,1-2H3,(H,28,33)(H,29,31) | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >30 | n/a | n/a | n/a | n/a | n/a | n/a |
CV Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of rat microsomal Delta6-desaturase |
Bioorg Med Chem Lett 19: 2048-52 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.019
BindingDB Entry DOI: 10.7270/Q2XG9R1S |
More data for this
Ligand-Target Pair | |
Acyl-CoA 6-desaturase
(Rattus norvegicus) | BDBM50257757
(3-(6-(3,4-dichlorobenzylamino)-2-(4-methoxyphenyl)...)Show SMILES COc1ccc(cc1)-c1nc2ccc(NCc3ccc(Cl)c(Cl)c3)nc2n(CCC(N)=O)c1=O Show InChI InChI=1S/C24H21Cl2N5O3/c1-34-16-5-3-15(4-6-16)22-24(33)31(11-10-20(27)32)23-19(29-22)8-9-21(30-23)28-13-14-2-7-17(25)18(26)12-14/h2-9,12H,10-11,13H2,1H3,(H2,27,32)(H,28,30) | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >30 | n/a | n/a | n/a | n/a | n/a | n/a |
CV Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of rat microsomal Delta6-desaturase |
Bioorg Med Chem Lett 19: 2048-52 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.019
BindingDB Entry DOI: 10.7270/Q2XG9R1S |
More data for this
Ligand-Target Pair | |
Acyl-CoA 6-desaturase
(Rattus norvegicus) | BDBM50257967
(CHEMBL494748 | N-(2-(7-(4-chloro-3-(trifluoromethy...)Show SMILES COc1ccc(cc1)-c1nc2ccc(NCc3ccc(Cl)c(c3)C(F)(F)F)cc2n(CCNC(C)=O)c1=O Show InChI InChI=1S/C27H24ClF3N4O3/c1-16(36)32-11-12-35-24-14-19(33-15-17-3-9-22(28)21(13-17)27(29,30)31)6-10-23(24)34-25(26(35)37)18-4-7-20(38-2)8-5-18/h3-10,13-14,33H,11-12,15H2,1-2H3,(H,32,36) | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >30 | n/a | n/a | n/a | n/a | n/a | n/a |
CV Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of rat microsomal Delta6-desaturase |
Bioorg Med Chem Lett 19: 2048-52 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.019
BindingDB Entry DOI: 10.7270/Q2XG9R1S |
More data for this
Ligand-Target Pair | |
Acyl-CoA 6-desaturase
(Rattus norvegicus) | BDBM50257808
(CHEMBL495001 | N-(2-(6-(3,4-dichlorobenzylamino)-3...)Show SMILES CC(=O)NCCn1c2nc(NCc3ccc(Cl)c(Cl)c3)ccc2nc(-c2cccnc2)c1=O Show InChI InChI=1S/C23H20Cl2N6O2/c1-14(32)27-9-10-31-22-19(29-21(23(31)33)16-3-2-8-26-13-16)6-7-20(30-22)28-12-15-4-5-17(24)18(25)11-15/h2-8,11,13H,9-10,12H2,1H3,(H,27,32)(H,28,30) | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >30 | n/a | n/a | n/a | n/a | n/a | n/a |
CV Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of rat microsomal Delta6-desaturase |
Bioorg Med Chem Lett 19: 2048-52 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.019
BindingDB Entry DOI: 10.7270/Q2XG9R1S |
More data for this
Ligand-Target Pair | |
Acyl-CoA 6-desaturase
(Rattus norvegicus) | BDBM50257860
(CHEMBL495194 | N-(2-(7-(3,4-dichlorobenzylamino)-3...)Show SMILES COc1ccc(cc1)-c1nc2cnc(NCc3ccc(Cl)c(Cl)c3)cc2n(CCNC(C)=O)c1=O Show InChI InChI=1S/C25H23Cl2N5O3/c1-15(33)28-9-10-32-22-12-23(29-13-16-3-8-19(26)20(27)11-16)30-14-21(22)31-24(25(32)34)17-4-6-18(35-2)7-5-17/h3-8,11-12,14H,9-10,13H2,1-2H3,(H,28,33)(H,29,30) | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >30 | n/a | n/a | n/a | n/a | n/a | n/a |
CV Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of rat microsomal Delta6-desaturase |
Bioorg Med Chem Lett 19: 2048-52 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.019
BindingDB Entry DOI: 10.7270/Q2XG9R1S |
More data for this
Ligand-Target Pair | |
Acyl-CoA 6-desaturase
(Rattus norvegicus) | BDBM50257919
(CHEMBL493960 | N-(2-(7-(3,4-dichlorobenzylamino)-3...)Show SMILES COc1ccc(cc1)-c1nc2ccc(NCc3ccc(Cl)c(Cl)c3)cc2n(CCNC(C)=O)c1=O Show InChI InChI=1S/C26H24Cl2N4O3/c1-16(33)29-11-12-32-24-14-19(30-15-17-3-9-21(27)22(28)13-17)6-10-23(24)31-25(26(32)34)18-4-7-20(35-2)8-5-18/h3-10,13-14,30H,11-12,15H2,1-2H3,(H,29,33) | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >30 | n/a | n/a | n/a | n/a | n/a | n/a |
CV Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of rat microsomal Delta6-desaturase |
Bioorg Med Chem Lett 19: 2048-52 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.019
BindingDB Entry DOI: 10.7270/Q2XG9R1S |
More data for this
Ligand-Target Pair | |
Acyl-CoA 6-desaturase
(Rattus norvegicus) | BDBM50257758
(3-(2-(4-methoxyphenyl)-3-oxo-6-(3-(trifluoromethyl...)Show SMILES COc1ccc(cc1)-c1nc2ccc(NCc3cccc(c3)C(F)(F)F)nc2n(CCC(N)=O)c1=O Show InChI InChI=1S/C25H22F3N5O3/c1-36-18-7-5-16(6-8-18)22-24(35)33(12-11-20(29)34)23-19(31-22)9-10-21(32-23)30-14-15-3-2-4-17(13-15)25(26,27)28/h2-10,13H,11-12,14H2,1H3,(H2,29,34)(H,30,32) | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >30 | n/a | n/a | n/a | n/a | n/a | n/a |
CV Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of rat microsomal Delta6-desaturase |
Bioorg Med Chem Lett 19: 2048-52 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.019
BindingDB Entry DOI: 10.7270/Q2XG9R1S |
More data for this
Ligand-Target Pair | |
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