BDBM50357364 CHEMBL1242095
SMILES: [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc(-[#8])c(-[#6](-[#6])=O)c1-[#8]
InChI Key: InChIKey=RCOXTTLIGHDQHU-XYOKQWHBSA-N
Data: 7 IC50
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cyclooxygenase-1 (COX-1) (Homo sapiens (Human)) | BDBM50357364 (CHEMBL1242095) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 6.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universiti Putra Malaysia Curated by ChEMBL | Assay Description Inhibition of COX1 in human platelets assessed as inhibition of conversion of arachidonic acid to PGE2 preincubated for 15 mins before substrate addi... | Bioorg Med Chem 19: 6340-7 (2011) Article DOI: 10.1016/j.bmc.2011.09.001 BindingDB Entry DOI: 10.7270/Q2RR1ZNH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Arachidonate 5-lipoxygenase (Homo sapiens (Human)) | BDBM50357364 (CHEMBL1242095) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 420 | n/a | n/a | n/a | n/a | n/a | n/a |
Universiti Putra Malaysia Curated by ChEMBL | Assay Description Inhibition of human 5-LOX in human peripheral blood mononuclear leukocytes assessed as inhibition of calymycin A23187-stimulated LTB4 production prei... | Bioorg Med Chem 19: 6340-7 (2011) Article DOI: 10.1016/j.bmc.2011.09.001 BindingDB Entry DOI: 10.7270/Q2RR1ZNH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Arachidonate 5-lipoxygenase (Mus musculus) | BDBM50357364 (CHEMBL1242095) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universiti Putra Malaysia Curated by ChEMBL | Assay Description Inhibition of 5-LOX in calcium ionophore A23187-stimulated NMRI mouse macrophage assessed as inhibition of LTC4 production preincubated for 60 mins b... | Bioorg Med Chem 19: 6340-7 (2011) Article DOI: 10.1016/j.bmc.2011.09.001 BindingDB Entry DOI: 10.7270/Q2RR1ZNH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Arachidonate 5-lipoxygenase (Homo sapiens (Human)) | BDBM50357364 (CHEMBL1242095) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Athens Curated by ChEMBL | Assay Description Inhibition of human recombinant 5-LO expressed in Escherichia coli MV1190 using arachidonic acid as substrate preincubated for 10 mins followed by su... | J Nat Prod 80: 699-706 (2017) Article DOI: 10.1021/acs.jnatprod.6b01008 BindingDB Entry DOI: 10.7270/Q2J38W29 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prostaglandin E synthase (Homo sapiens (Human)) | BDBM50357364 (CHEMBL1242095) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Athens Curated by ChEMBL | Assay Description Inhibition of human A549 cell microsomal membrane-derived mPGES-1 assessed as reduction in conversion of PGH2 to PGE2 preincubated for 15 mins follow... | J Nat Prod 80: 699-706 (2017) Article DOI: 10.1021/acs.jnatprod.6b01008 BindingDB Entry DOI: 10.7270/Q2J38W29 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Arachidonate 5-lipoxygenase (Homo sapiens (Human)) | BDBM50357364 (CHEMBL1242095) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Athens Curated by ChEMBL | Assay Description Inhibition of 5-LO in human peripheral blood neutrophils using arachidonic acid as substrate preincubated for 15 mins followed by substrate addition ... | J Nat Prod 80: 699-706 (2017) Article DOI: 10.1021/acs.jnatprod.6b01008 BindingDB Entry DOI: 10.7270/Q2J38W29 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclooxygenase (Homo sapiens (Human)) | BDBM50357364 (CHEMBL1242095) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
Universiti Putra Malaysia Curated by ChEMBL | Assay Description Inhibition of human recombinant COX2 expressed in insect Sf21 cells assessed as inhibition of conversion of arachidonic acid to PGE2 preincubated for... | Bioorg Med Chem 19: 6340-7 (2011) Article DOI: 10.1016/j.bmc.2011.09.001 BindingDB Entry DOI: 10.7270/Q2RR1ZNH | |||||||||||
More data for this Ligand-Target Pair |