BDBM50281622 2-(4-fluorophenyl)-6-(4-methylphenylsulfanyl)-1-hexanamine; with Hydrochloric acid::CHEMBL545590

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

InChI Key: InChIKey=ZSKLAKZZOGGXRK-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50281622   

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
Prostaglandin D2 synthase (Bos taurus)	BDBM50281622 (2-(4-fluorophenyl)-6-(4-methylphenylsulfanyl)-1-he...) Show SMILES Cc1ccc(SCCCCC(CN)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C19H24FNS/c1-15-5-11-19(12-6-15)22-13-3-2-4-17(14-21)16-7-9-18(20)10-8-16/h5-12,17H,2-4,13-14,21H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	2.80E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its ability to inhibit bovine 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
Phospholipase A2 group 1B (Rattus norvegicus)	BDBM50281622 (2-(4-fluorophenyl)-6-(4-methylphenylsulfanyl)-1-he...) Show SMILES Cc1ccc(SCCCCC(CN)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C19H24FNS/c1-15-5-11-19(12-6-15)22-13-3-2-4-17(14-21)16-7-9-18(20)10-8-16/h5-12,17H,2-4,13-14,21H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	5.50E+3	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))	BDBM50281622 (2-(4-fluorophenyl)-6-(4-methylphenylsulfanyl)-1-he...) Show SMILES Cc1ccc(SCCCCC(CN)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C19H24FNS/c1-15-5-11-19(12-6-15)22-13-3-2-4-17(14-21)16-7-9-18(20)10-8-16/h5-12,17H,2-4,13-14,21H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	4.87E+4	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
Group VII phospholipase A2 (Sus scrofa)	BDBM50281622 (2-(4-fluorophenyl)-6-(4-methylphenylsulfanyl)-1-he...) Show SMILES Cc1ccc(SCCCCC(CN)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C19H24FNS/c1-15-5-11-19(12-6-15)22-13-3-2-4-17(14-21)16-7-9-18(20)10-8-16/h5-12,17H,2-4,13-14,21H2,1H3	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its ability to inhibit porcine pancreas phospholipase-A2				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)	BDBM50281622 (2-(4-fluorophenyl)-6-(4-methylphenylsulfanyl)-1-he...) Show SMILES Cc1ccc(SCCCCC(CN)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C19H24FNS/c1-15-5-11-19(12-6-15)22-13-3-2-4-17(14-21)16-7-9-18(20)10-8-16/h5-12,17H,2-4,13-14,21H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	9.50E+3	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