Found 5 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 |
|---|
Polyunsaturated fatty acid 5-lipoxygenase
(Homo sapiens (Human)) | BDBM50038649
(2-(6-(4-chlorophenyl)-2,2-dimethyl-7-phenyl-2,3-di...)Show SMILES CC1(C)Cc2c(c(c(CC(O)=O)n2C1)-c1ccc(Cl)cc1)-c1ccccc1 Show InChI InChI=1S/C23H22ClNO2/c1-23(2)13-19-22(15-6-4-3-5-7-15)21(16-8-10-17(24)11-9-16)18(12-20(26)27)25(19)14-23/h3-11H,12-14H2,1-2H3,(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Medical University of South Carolina
Curated by ChEMBL
| Assay Description
Inhibition of 5-LOX (unknown origin) by ELISA |
Bioorg Med Chem Lett 24: 317-24 (2013)
Article DOI: 10.1016/j.bmcl.2013.11.015
BindingDB Entry DOI: 10.7270/Q2BK1DTP |
More data for this
Ligand-Target Pair | |
Polyunsaturated fatty acid 5-lipoxygenase
(Homo sapiens (Human)) | BDBM50444817
(CHEMBL3099218)Show SMILES CC(C)(C)c1cc(C=NNC(=O)c2cccnc2)c(O)c(c1)C(C)(C)C |w:7.6| Show InChI InChI=1S/C21H27N3O2/c1-20(2,3)16-10-15(18(25)17(11-16)21(4,5)6)13-23-24-19(26)14-8-7-9-22-12-14/h7-13,25H,1-6H3,(H,24,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.55E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Medical University of South Carolina
Curated by ChEMBL
| Assay Description
Inhibition of 5-LOX (unknown origin) by ELISA |
Bioorg Med Chem Lett 24: 317-24 (2013)
Article DOI: 10.1016/j.bmcl.2013.11.015
BindingDB Entry DOI: 10.7270/Q2BK1DTP |
More data for this
Ligand-Target Pair | |
Polyunsaturated fatty acid 5-lipoxygenase
(Homo sapiens (Human)) | BDBM50444814
(CHEMBL3099221)Show SMILES CC(C)(C)c1cc(C=NNC(=O)c2ccccc2)c(O)c(c1)C(C)(C)C |w:7.6| Show InChI InChI=1S/C22H28N2O2/c1-21(2,3)17-12-16(19(25)18(13-17)22(4,5)6)14-23-24-20(26)15-10-8-7-9-11-15/h7-14,25H,1-6H3,(H,24,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.88E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Medical University of South Carolina
Curated by ChEMBL
| Assay Description
Inhibition of 5-LOX (unknown origin) by ELISA |
Bioorg Med Chem Lett 24: 317-24 (2013)
Article DOI: 10.1016/j.bmcl.2013.11.015
BindingDB Entry DOI: 10.7270/Q2BK1DTP |
More data for this
Ligand-Target Pair | |
Polyunsaturated fatty acid 5-lipoxygenase
(Homo sapiens (Human)) | BDBM50444815
(CHEMBL3099220)Show SMILES CC(C)(C)c1cc(C=NNC(=O)c2ccncc2)c(O)c(c1)C(C)(C)C |w:7.6| Show InChI InChI=1S/C21H27N3O2/c1-20(2,3)16-11-15(18(25)17(12-16)21(4,5)6)13-23-24-19(26)14-7-9-22-10-8-14/h7-13,25H,1-6H3,(H,24,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.25E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Medical University of South Carolina
Curated by ChEMBL
| Assay Description
Inhibition of 5-LOX (unknown origin) by ELISA |
Bioorg Med Chem Lett 24: 317-24 (2013)
Article DOI: 10.1016/j.bmcl.2013.11.015
BindingDB Entry DOI: 10.7270/Q2BK1DTP |
More data for this
Ligand-Target Pair | |
Polyunsaturated fatty acid 5-lipoxygenase
(Homo sapiens (Human)) | BDBM50444816
(CHEMBL3099219)Show SMILES CC(C)(C)c1cc(C=NNC(=O)c2ccccc2O)c(O)c(c1)C(C)(C)C |w:7.6| Show InChI InChI=1S/C22H28N2O3/c1-21(2,3)15-11-14(19(26)17(12-15)22(4,5)6)13-23-24-20(27)16-9-7-8-10-18(16)25/h7-13,25-26H,1-6H3,(H,24,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Medical University of South Carolina
Curated by ChEMBL
| Assay Description
Inhibition of 5-LOX (unknown origin) by ELISA |
Bioorg Med Chem Lett 24: 317-24 (2013)
Article DOI: 10.1016/j.bmcl.2013.11.015
BindingDB Entry DOI: 10.7270/Q2BK1DTP |
More data for this
Ligand-Target Pair | |
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