BDBM50353674 CHEMBL1830480

SMILES: CC(C)c1ccc(OC(=O)CCc2cc(-c3ccc(C)cc3)n(n2)-c2ccc3ccccc3n2)cc1

InChI Key: InChIKey=QKZXDUSJODZOOK-UHFFFAOYSA-N

Data: 6 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50353674   

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
Arachidonate 5-lipoxygenase (Homo sapiens (Human))	BDBM50353674 (CHEMBL1830480) Show SMILES CC(C)c1ccc(OC(=O)CCc2cc(-c3ccc(C)cc3)n(n2)-c2ccc3ccccc3n2)cc1 Show InChI InChI=1S/C31H29N3O2/c1-21(2)23-12-16-27(17-13-23)36-31(35)19-15-26-20-29(25-10-8-22(3)9-11-25)34(33-26)30-18-14-24-6-4-5-7-28(24)32-30/h4-14,16-18,20-21H,15,19H2,1-3H3	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+4	n/a	n/a	n/a	n/a	n/a	n/a
Gazi University Curated by ChEMBL					Assay Description Inhibition of 5-Lipoxygenase in arachidonic acid-stimulated human neutrophils after 15 mins by HPLC analysis in presence of A23187				Eur J Med Chem 46: 5021-33 (2011) Article DOI: 10.1016/j.ejmech.2011.08.009 BindingDB Entry DOI: 10.7270/Q2445MVS
					More data for this Ligand-Target Pair
Cyclooxygenase-1 (COX-1) (Homo sapiens (Human))	BDBM50353674 (CHEMBL1830480) Show SMILES CC(C)c1ccc(OC(=O)CCc2cc(-c3ccc(C)cc3)n(n2)-c2ccc3ccccc3n2)cc1 Show InChI InChI=1S/C31H29N3O2/c1-21(2)23-12-16-27(17-13-23)36-31(35)19-15-26-20-29(25-10-8-22(3)9-11-25)34(33-26)30-18-14-24-6-4-5-7-28(24)32-30/h4-14,16-18,20-21H,15,19H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Gazi University Curated by ChEMBL					Assay Description Inhibition of COX1-mediated 12-HHT production in human platelet after 5 mins by HPLC analysis				Eur J Med Chem 46: 5021-33 (2011) Article DOI: 10.1016/j.ejmech.2011.08.009 BindingDB Entry DOI: 10.7270/Q2445MVS
					More data for this Ligand-Target Pair
Arachidonate 15-lipoxygenase (Homo sapiens (Human))	BDBM50353674 (CHEMBL1830480) Show SMILES CC(C)c1ccc(OC(=O)CCc2cc(-c3ccc(C)cc3)n(n2)-c2ccc3ccccc3n2)cc1 Show InChI InChI=1S/C31H29N3O2/c1-21(2)23-12-16-27(17-13-23)36-31(35)19-15-26-20-29(25-10-8-22(3)9-11-25)34(33-26)30-18-14-24-6-4-5-7-28(24)32-30/h4-14,16-18,20-21H,15,19H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Gazi University Curated by ChEMBL					Assay Description Inhibition of 15-Lipoxygenase-mediated 15-HETE in human neutrophil after 15 mins by HPLC analysis				Eur J Med Chem 46: 5021-33 (2011) Article DOI: 10.1016/j.ejmech.2011.08.009 BindingDB Entry DOI: 10.7270/Q2445MVS
					More data for this Ligand-Target Pair
Cyclooxygenase (Homo sapiens (Human))	BDBM50353674 (CHEMBL1830480) Show SMILES CC(C)c1ccc(OC(=O)CCc2cc(-c3ccc(C)cc3)n(n2)-c2ccc3ccccc3n2)cc1 Show InChI InChI=1S/C31H29N3O2/c1-21(2)23-12-16-27(17-13-23)36-31(35)19-15-26-20-29(25-10-8-22(3)9-11-25)34(33-26)30-18-14-24-6-4-5-7-28(24)32-30/h4-14,16-18,20-21H,15,19H2,1-3H3	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Gazi University Curated by ChEMBL					Assay Description Inhibition of COX2-mediated 6-keto PGF1alpha production in IL1-beta stimulated human A549 cells after 10 mins by EIA				Eur J Med Chem 46: 5021-33 (2011) Article DOI: 10.1016/j.ejmech.2011.08.009 BindingDB Entry DOI: 10.7270/Q2445MVS
					More data for this Ligand-Target Pair
12-Lipoxygenase (12-LOX) (Homo sapiens (Human))	BDBM50353674 (CHEMBL1830480) Show SMILES CC(C)c1ccc(OC(=O)CCc2cc(-c3ccc(C)cc3)n(n2)-c2ccc3ccccc3n2)cc1 Show InChI InChI=1S/C31H29N3O2/c1-21(2)23-12-16-27(17-13-23)36-31(35)19-15-26-20-29(25-10-8-22(3)9-11-25)34(33-26)30-18-14-24-6-4-5-7-28(24)32-30/h4-14,16-18,20-21H,15,19H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Gazi University Curated by ChEMBL					Assay Description Inhibition of 12-Lipoxygenase-mediated 12-HETE in human neutrophil after 15 mins by HPLC analysis				Eur J Med Chem 46: 5021-33 (2011) Article DOI: 10.1016/j.ejmech.2011.08.009 BindingDB Entry DOI: 10.7270/Q2445MVS
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase (Homo sapiens (Human))	BDBM50353674 (CHEMBL1830480) Show SMILES CC(C)c1ccc(OC(=O)CCc2cc(-c3ccc(C)cc3)n(n2)-c2ccc3ccccc3n2)cc1 Show InChI InChI=1S/C31H29N3O2/c1-21(2)23-12-16-27(17-13-23)36-31(35)19-15-26-20-29(25-10-8-22(3)9-11-25)34(33-26)30-18-14-24-6-4-5-7-28(24)32-30/h4-14,16-18,20-21H,15,19H2,1-3H3	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+4	n/a	n/a	n/a	n/a	n/a	n/a
Gazi University Curated by ChEMBL					Assay Description Inhibition of recombinant human 5-Lipoxygenase expressed in Escherichia coli lysate after 10 mins by HPLC analysis				Eur J Med Chem 46: 5021-33 (2011) Article DOI: 10.1016/j.ejmech.2011.08.009 BindingDB Entry DOI: 10.7270/Q2445MVS
					More data for this Ligand-Target Pair