BDBM50281624 2-(4-fluorophenyl)-5-(4-methylphenylsulfanyl)-1-pentanamine; with Hydrochloric acid::CHEMBL539068

SMILES: Cc1ccc(SCCCC(CN)c2ccc(F)cc2)cc1

InChI Key: InChIKey=BEHFTACWNMIUAO-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 = 50281624   

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 (Rattus norvegicus)	BDBM50281624 (2-(4-fluorophenyl)-5-(4-methylphenylsulfanyl)-1-pe...) Show SMILES Cc1ccc(SCCCC(CN)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C18H22FNS/c1-14-4-10-18(11-5-14)21-12-2-3-16(13-20)15-6-8-17(19)9-7-15/h4-11,16H,2-3,12-13,20H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	3.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of rat basophilic leukemia cell 5-lipoxygenase				Bioorg Med Chem Lett 3: 711-716 (1993) Article DOI: 10.1016/S0960-894X(01)81260-9 BindingDB Entry DOI: 10.7270/Q2SJ1M3F
					More data for this Ligand-Target Pair
Phospholipase A2 group 1B (Rattus norvegicus)	BDBM50281624 (2-(4-fluorophenyl)-5-(4-methylphenylsulfanyl)-1-pe...) Show SMILES Cc1ccc(SCCCC(CN)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C18H22FNS/c1-14-4-10-18(11-5-14)21-12-2-3-16(13-20)15-6-8-17(19)9-7-15/h4-11,16H,2-3,12-13,20H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	5.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against polymorphonuclear cell phospholipase-A2 in rat				Bioorg Med Chem Lett 3: 711-716 (1993) Article DOI: 10.1016/S0960-894X(01)81260-9 BindingDB Entry DOI: 10.7270/Q2SJ1M3F
					More data for this Ligand-Target Pair
Phospholipase A2 group 1B (Rattus norvegicus)	BDBM50281624 (2-(4-fluorophenyl)-5-(4-methylphenylsulfanyl)-1-pe...) Show SMILES Cc1ccc(SCCCC(CN)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C18H22FNS/c1-14-4-10-18(11-5-14)21-12-2-3-16(13-20)15-6-8-17(19)9-7-15/h4-11,16H,2-3,12-13,20H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	2.83E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against polymorphonuclear cell phospholipase-A2 in rat				Bioorg Med Chem Lett 3: 711-716 (1993) Article DOI: 10.1016/S0960-894X(01)81260-9 BindingDB Entry DOI: 10.7270/Q2SJ1M3F
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase) (Ovis aries (Sheep))	BDBM50281624 (2-(4-fluorophenyl)-5-(4-methylphenylsulfanyl)-1-pe...) Show SMILES Cc1ccc(SCCCC(CN)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C18H22FNS/c1-14-4-10-18(11-5-14)21-12-2-3-16(13-20)15-6-8-17(19)9-7-15/h4-11,16H,2-3,12-13,20H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	2.15E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of ovine seminal vesicle prostaglandin synthetase				Bioorg Med Chem Lett 3: 711-716 (1993) Article DOI: 10.1016/S0960-894X(01)81260-9 BindingDB Entry DOI: 10.7270/Q2SJ1M3F
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase) (Ovis aries (Sheep))	BDBM50281624 (2-(4-fluorophenyl)-5-(4-methylphenylsulfanyl)-1-pe...) Show SMILES Cc1ccc(SCCCC(CN)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C18H22FNS/c1-14-4-10-18(11-5-14)21-12-2-3-16(13-20)15-6-8-17(19)9-7-15/h4-11,16H,2-3,12-13,20H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.97E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of ovine seminal vesicle prostaglandin synthetase				Bioorg Med Chem Lett 3: 711-716 (1993) Article DOI: 10.1016/S0960-894X(01)81260-9 BindingDB Entry DOI: 10.7270/Q2SJ1M3F
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase (Rattus norvegicus)	BDBM50281624 (2-(4-fluorophenyl)-5-(4-methylphenylsulfanyl)-1-pe...) Show SMILES Cc1ccc(SCCCC(CN)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C18H22FNS/c1-14-4-10-18(11-5-14)21-12-2-3-16(13-20)15-6-8-17(19)9-7-15/h4-11,16H,2-3,12-13,20H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	7.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of rat basophilic leukemia cell 5-lipoxygenase				Bioorg Med Chem Lett 3: 711-716 (1993) Article DOI: 10.1016/S0960-894X(01)81260-9 BindingDB Entry DOI: 10.7270/Q2SJ1M3F
					More data for this Ligand-Target Pair