BDBM50255533 CHEMBL481200::N-(4-(5-(diethylamino)pentyl)cyclohexyl)-N-methyl-4-(trifluoromethyl)benzenesulfonamide

SMILES: CCN(CC)CCCCC[C@H]1CC[C@@H](CC1)N(C)S(=O)(=O)c1ccc(cc1)C(F)(F)F

InChI Key: InChIKey=NJPKKNHLXHTMLK-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 = 50255533   

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
Cycloartenol synthase (Arabidopsis thaliana)	BDBM50255533 (CHEMBL481200 | N-(4-(5-(diethylamino)pentyl)cycloh...) Show SMILES CCN(CC)CCCCC[C@H]1CC[C@@H](CC1)N(C)S(=O)(=O)c1ccc(cc1)C(F)(F)F |r,wU:13.16,wD:10.9,(1.63,-6.03,;.29,-6.8,;.29,-8.34,;-1.04,-9.11,;-2.37,-8.34,;1.63,-9.11,;2.95,-8.34,;4.28,-9.11,;5.62,-8.34,;6.95,-9.11,;8.28,-8.34,;9.62,-9.11,;10.95,-8.34,;10.94,-6.79,;9.61,-6.03,;8.28,-6.8,;12.27,-6.03,;12.27,-4.49,;13.6,-6.79,;14.93,-7.56,;12.84,-8.12,;14.36,-5.45,;13.56,-4.14,;14.29,-2.78,;15.84,-2.74,;16.63,-4.05,;15.9,-5.41,;16.57,-1.4,;17.3,-.05,;17.92,-2.13,;15.23,-.66,)| Show InChI InChI=1S/C23H37F3N2O2S/c1-4-28(5-2)18-8-6-7-9-19-10-14-21(15-11-19)27(3)31(29,30)22-16-12-20(13-17-22)23(24,25)26/h12-13,16-17,19,21H,4-11,14-15,18H2,1-3H3/t19-,21-	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+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)	BDBM50255533 (CHEMBL481200 | N-(4-(5-(diethylamino)pentyl)cycloh...) Show SMILES CCN(CC)CCCCC[C@H]1CC[C@@H](CC1)N(C)S(=O)(=O)c1ccc(cc1)C(F)(F)F |r,wU:13.16,wD:10.9,(1.63,-6.03,;.29,-6.8,;.29,-8.34,;-1.04,-9.11,;-2.37,-8.34,;1.63,-9.11,;2.95,-8.34,;4.28,-9.11,;5.62,-8.34,;6.95,-9.11,;8.28,-8.34,;9.62,-9.11,;10.95,-8.34,;10.94,-6.79,;9.61,-6.03,;8.28,-6.8,;12.27,-6.03,;12.27,-4.49,;13.6,-6.79,;14.93,-7.56,;12.84,-8.12,;14.36,-5.45,;13.56,-4.14,;14.29,-2.78,;15.84,-2.74,;16.63,-4.05,;15.9,-5.41,;16.57,-1.4,;17.3,-.05,;17.92,-2.13,;15.23,-.66,)| Show InChI InChI=1S/C23H37F3N2O2S/c1-4-28(5-2)18-8-6-7-9-19-10-14-21(15-11-19)27(3)31(29,30)22-16-12-20(13-17-22)23(24,25)26/h12-13,16-17,19,21H,4-11,14-15,18H2,1-3H3/t19-,21-	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60E+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
Lanosterol synthase (Homo sapiens (Human))	BDBM50255533 (CHEMBL481200 | N-(4-(5-(diethylamino)pentyl)cycloh...) Show SMILES CCN(CC)CCCCC[C@H]1CC[C@@H](CC1)N(C)S(=O)(=O)c1ccc(cc1)C(F)(F)F |r,wU:13.16,wD:10.9,(1.63,-6.03,;.29,-6.8,;.29,-8.34,;-1.04,-9.11,;-2.37,-8.34,;1.63,-9.11,;2.95,-8.34,;4.28,-9.11,;5.62,-8.34,;6.95,-9.11,;8.28,-8.34,;9.62,-9.11,;10.95,-8.34,;10.94,-6.79,;9.61,-6.03,;8.28,-6.8,;12.27,-6.03,;12.27,-4.49,;13.6,-6.79,;14.93,-7.56,;12.84,-8.12,;14.36,-5.45,;13.56,-4.14,;14.29,-2.78,;15.84,-2.74,;16.63,-4.05,;15.9,-5.41,;16.57,-1.4,;17.3,-.05,;17.92,-2.13,;15.23,-.66,)| Show InChI InChI=1S/C23H37F3N2O2S/c1-4-28(5-2)18-8-6-7-9-19-10-14-21(15-11-19)27(3)31(29,30)22-16-12-20(13-17-22)23(24,25)26/h12-13,16-17,19,21H,4-11,14-15,18H2,1-3H3/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	2.44E+3	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