BDBM18437 Aminoquinoline compound, 22::N-{2-[(3-chlorophenyl)amino]-4-methylquinolin-6-yl}-4-methylcyclohexane-1-carboxamide

SMILES: CC1CCC(CC1)C(=O)Nc1ccc2nc(Nc3cccc(Cl)c3)cc(C)c2c1

InChI Key: InChIKey=MVXXUSSYNJCXBF-UHFFFAOYSA-N

Data: 1 KI

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 18437   

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
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM18437 (Aminoquinoline compound, 22 | N-{2-[(3-chloropheny...) Show SMILES CC1CCC(CC1)C(=O)Nc1ccc2nc(Nc3cccc(Cl)c3)cc(C)c2c1 |(-13.5,6.68,;-12.12,6,;-10.84,6.85,;-9.46,6.17,;-9.36,4.63,;-10.64,3.78,;-12.02,4.46,;-8.03,3.86,;-8.03,2.32,;-6.69,4.63,;-5.36,3.86,;-5.36,2.32,;-4.03,1.55,;-2.69,2.32,;-1.36,1.55,;-.02,2.32,;1.31,1.55,;1.28,.01,;-.03,-.8,;.02,-2.34,;1.37,-3.07,;2.68,-2.26,;4.04,-2.99,;2.64,-.72,;-.02,3.86,;-1.36,4.63,;-1.36,6.17,;-2.69,3.86,;-4.03,4.63,)| Show InChI InChI=1S/C24H26ClN3O/c1-15-6-8-17(9-7-15)24(29)27-20-10-11-22-21(14-20)16(2)12-23(28-22)26-19-5-3-4-18(25)13-19/h3-5,10-15,17H,6-9H2,1-2H3,(H,26,28)(H,27,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	1.22E+5	-5.26	n/a	n/a	n/a	n/a	n/a	5.9	21
NIH					Assay Description Enzyme activity was determined as the production of fluorescent resorufin from the substrate. The fluorescence was measured (excitation 570 nm, emiss...				Proc Natl Acad Sci U S A 104: 13192-7 (2007) Article DOI: 10.1073/pnas.0705637104 BindingDB Entry DOI: 10.7270/Q2V1232M
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