BDBM50320707 5-(2-Fluorobenzoyl)-2-{3-[3-fluoro-5-(4-methoxytetrahydro-4H-4-pyranyl)phenoxy]propyl}-8-methoxy-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole hydrochloride::CHEMBL1163238

SMILES: COc1ccc2n(C(=O)c3ccccc3F)c3CCN(CCCOc4cc(F)cc(c4)C4(CCOCC4)OC)Cc3c2c1

InChI Key: InChIKey=HRRKPTUNMBRCRO-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50320707   

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))	BDBM50320707 (5-(2-Fluorobenzoyl)-2-{3-[3-fluoro-5-(4-methoxytet...) Show SMILES COc1ccc2n(C(=O)c3ccccc3F)c3CCN(CCCOc4cc(F)cc(c4)C4(CCOCC4)OC)Cc3c2c1 Show InChI InChI=1S/C34H36F2N2O5/c1-40-25-8-9-31-28(21-25)29-22-37(14-10-32(29)38(31)33(39)27-6-3-4-7-30(27)36)13-5-15-43-26-19-23(18-24(35)20-26)34(41-2)11-16-42-17-12-34/h3-4,6-9,18-21H,5,10-17,22H2,1-2H3	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	3.93E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Lille-Nord de France Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase in human whole blood assessed as inhibition of LTB4 production by HPLC method				Bioorg Med Chem 18: 3910-24 (2010) Article DOI: 10.1016/j.bmc.2010.04.034 BindingDB Entry DOI: 10.7270/Q28K7B16
					More data for this Ligand-Target Pair
Cyclooxygenase (Homo sapiens (Human))	BDBM50320707 (5-(2-Fluorobenzoyl)-2-{3-[3-fluoro-5-(4-methoxytet...) Show SMILES COc1ccc2n(C(=O)c3ccccc3F)c3CCN(CCCOc4cc(F)cc(c4)C4(CCOCC4)OC)Cc3c2c1 Show InChI InChI=1S/C34H36F2N2O5/c1-40-25-8-9-31-28(21-25)29-22-37(14-10-32(29)38(31)33(39)27-6-3-4-7-30(27)36)13-5-15-43-26-19-23(18-24(35)20-26)34(41-2)11-16-42-17-12-34/h3-4,6-9,18-21H,5,10-17,22H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.26E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Lille-Nord de France Curated by ChEMBL					Assay Description Inhibition of COX2 in human whole blood assessed as inhibition of 12-hydroxyheptadecatrienoic acid production by HPLC method				Bioorg Med Chem 18: 3910-24 (2010) Article DOI: 10.1016/j.bmc.2010.04.034 BindingDB Entry DOI: 10.7270/Q28K7B16
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase (Homo sapiens (Human))	BDBM50320707 (5-(2-Fluorobenzoyl)-2-{3-[3-fluoro-5-(4-methoxytet...) Show SMILES COc1ccc2n(C(=O)c3ccccc3F)c3CCN(CCCOc4cc(F)cc(c4)C4(CCOCC4)OC)Cc3c2c1 Show InChI InChI=1S/C34H36F2N2O5/c1-40-25-8-9-31-28(21-25)29-22-37(14-10-32(29)38(31)33(39)27-6-3-4-7-30(27)36)13-5-15-43-26-19-23(18-24(35)20-26)34(41-2)11-16-42-17-12-34/h3-4,6-9,18-21H,5,10-17,22H2,1-2H3	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Lille-Nord de France Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase in human whole blood assessed as inhibition of 5-hydroxyeicosatetraenoic acid production by HPLC method				Bioorg Med Chem 18: 3910-24 (2010) Article DOI: 10.1016/j.bmc.2010.04.034 BindingDB Entry DOI: 10.7270/Q28K7B16
					More data for this Ligand-Target Pair