BDBM50255599 CHEMBL481015::N-(4-(5-(bis(2-hydroxyethyl)amino)pentyl)cyclohexyl)-N-methyl-4-(trifluoromethyl)benzenesulfonamide

SMILES: CN([C@H]1CC[C@H](CCCCCN(CCO)CCO)CC1)S(=O)(=O)c1ccc(cc1)C(F)(F)F

InChI Key: InChIKey=KWDTUWVYRBUKHP-XUTJKUGGSA-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 = 50255599   

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
Lanosterol synthase (Homo sapiens (Human))	BDBM50255599 (CHEMBL481015 | N-(4-(5-(bis(2-hydroxyethyl)amino)p...) Show SMILES CN([C@H]1CC[C@H](CCCCCN(CCO)CCO)CC1)S(=O)(=O)c1ccc(cc1)C(F)(F)F |r,wU:2.1,wD:5.5,(15.72,-4.98,;15.72,-6.52,;14.4,-7.28,;14.4,-8.82,;13.07,-9.6,;11.73,-8.82,;10.4,-9.6,;9.07,-8.82,;7.74,-9.6,;6.4,-8.82,;5.08,-9.6,;3.75,-8.82,;2.42,-9.6,;1.08,-8.82,;1.09,-7.29,;3.75,-7.29,;5.08,-6.52,;5.08,-4.99,;11.74,-7.28,;13.06,-6.52,;17.05,-7.28,;18.39,-8.05,;16.29,-8.61,;17.82,-5.94,;17.03,-4.61,;17.78,-3.26,;19.33,-3.24,;20.11,-4.56,;19.35,-5.91,;20.08,-1.91,;20.83,-.57,;21.42,-2.66,;18.75,-1.15,)| Show InChI InChI=1S/C23H37F3N2O4S/c1-27(33(31,32)22-12-8-20(9-13-22)23(24,25)26)21-10-6-19(7-11-21)5-3-2-4-14-28(15-17-29)16-18-30/h8-9,12-13,19,21,29-30H,2-7,10-11,14-18H2,1H3/t19-,21-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	720	n/a	n/a	n/a	n/a	n/a	n/a
Università di Torino Curated by ChEMBL					Assay Description Inhibition of human OSC expressed in Saccharomyces cerevisiae SMY8				Bioorg Med Chem Lett 19: 718-23 (2009) Article DOI: 10.1016/j.bmcl.2008.12.040 BindingDB Entry DOI: 10.7270/Q2SF2W2N
					More data for this Ligand-Target Pair
Cycloartenol synthase (Arabidopsis thaliana)	BDBM50255599 (CHEMBL481015 | N-(4-(5-(bis(2-hydroxyethyl)amino)p...) Show SMILES CN([C@H]1CC[C@H](CCCCCN(CCO)CCO)CC1)S(=O)(=O)c1ccc(cc1)C(F)(F)F |r,wU:2.1,wD:5.5,(15.72,-4.98,;15.72,-6.52,;14.4,-7.28,;14.4,-8.82,;13.07,-9.6,;11.73,-8.82,;10.4,-9.6,;9.07,-8.82,;7.74,-9.6,;6.4,-8.82,;5.08,-9.6,;3.75,-8.82,;2.42,-9.6,;1.08,-8.82,;1.09,-7.29,;3.75,-7.29,;5.08,-6.52,;5.08,-4.99,;11.74,-7.28,;13.06,-6.52,;17.05,-7.28,;18.39,-8.05,;16.29,-8.61,;17.82,-5.94,;17.03,-4.61,;17.78,-3.26,;19.33,-3.24,;20.11,-4.56,;19.35,-5.91,;20.08,-1.91,;20.83,-.57,;21.42,-2.66,;18.75,-1.15,)| Show InChI InChI=1S/C23H37F3N2O4S/c1-27(33(31,32)22-12-8-20(9-13-22)23(24,25)26)21-10-6-19(7-11-21)5-3-2-4-14-28(15-17-29)16-18-30/h8-9,12-13,19,21,29-30H,2-7,10-11,14-18H2,1H3/t19-,21-	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Università di Torino Curated by ChEMBL					Assay Description Inhibition of Arabidopsis thaliana cycloartenol synthase expressed in Saccharomyces cerevisiae SMY8				Bioorg Med Chem Lett 19: 718-23 (2009) Article DOI: 10.1016/j.bmcl.2008.12.040 BindingDB Entry DOI: 10.7270/Q2SF2W2N
					More data for this Ligand-Target Pair
Lanosterol synthase (Saccharomyces cerevisiae)	BDBM50255599 (CHEMBL481015 | N-(4-(5-(bis(2-hydroxyethyl)amino)p...) Show SMILES CN([C@H]1CC[C@H](CCCCCN(CCO)CCO)CC1)S(=O)(=O)c1ccc(cc1)C(F)(F)F |r,wU:2.1,wD:5.5,(15.72,-4.98,;15.72,-6.52,;14.4,-7.28,;14.4,-8.82,;13.07,-9.6,;11.73,-8.82,;10.4,-9.6,;9.07,-8.82,;7.74,-9.6,;6.4,-8.82,;5.08,-9.6,;3.75,-8.82,;2.42,-9.6,;1.08,-8.82,;1.09,-7.29,;3.75,-7.29,;5.08,-6.52,;5.08,-4.99,;11.74,-7.28,;13.06,-6.52,;17.05,-7.28,;18.39,-8.05,;16.29,-8.61,;17.82,-5.94,;17.03,-4.61,;17.78,-3.26,;19.33,-3.24,;20.11,-4.56,;19.35,-5.91,;20.08,-1.91,;20.83,-.57,;21.42,-2.66,;18.75,-1.15,)| Show InChI InChI=1S/C23H37F3N2O4S/c1-27(33(31,32)22-12-8-20(9-13-22)23(24,25)26)21-10-6-19(7-11-21)5-3-2-4-14-28(15-17-29)16-18-30/h8-9,12-13,19,21,29-30H,2-7,10-11,14-18H2,1H3/t19-,21-	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Università di Torino Curated by ChEMBL					Assay Description Inhibition of yeast OSC expressed in Saccharomyces cerevisiae SMY8				Bioorg Med Chem Lett 19: 718-23 (2009) Article DOI: 10.1016/j.bmcl.2008.12.040 BindingDB Entry DOI: 10.7270/Q2SF2W2N
					More data for this Ligand-Target Pair