BDBM18447 2-({4-[(5-chloro-2-methoxyphenyl)amino]-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-yl}amino)ethan-1-ol::NCGC00029010::Triazine compound, 3::triazine scaffold, 1

SMILES: COc1ccc(Cl)cc1Nc1nc(NCCO)nc(n1)N1CCCC1

InChI Key: InChIKey=AQYDNGDNBIIYOX-UHFFFAOYSA-N

Data: 1 KI  4 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 4 hits for monomerid = 18447   

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))	BDBM18447 (2-({4-[(5-chloro-2-methoxyphenyl)amino]-6-(pyrroli...) Show SMILES COc1ccc(Cl)cc1Nc1nc(NCCO)nc(n1)N1CCCC1 Show InChI InChI=1S/C16H21ClN6O2/c1-25-13-5-4-11(17)10-12(13)19-15-20-14(18-6-9-24)21-16(22-15)23-7-2-3-8-23/h4-5,10,24H,2-3,6-9H2,1H3,(H2,18,19,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	320	-8.74	430	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
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM18447 (2-({4-[(5-chloro-2-methoxyphenyl)amino]-6-(pyrroli...) Show SMILES COc1ccc(Cl)cc1Nc1nc(NCCO)nc(n1)N1CCCC1 Show InChI InChI=1S/C16H21ClN6O2/c1-25-13-5-4-11(17)10-12(13)19-15-20-14(18-6-9-24)21-16(22-15)23-7-2-3-8-23/h4-5,10,24H,2-3,6-9H2,1H3,(H2,18,19,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translation Sciences Curated by ChEMBL					Assay Description Inhibition of wild type glucocerebrosidase in human spleen homogenate using 4-methylumbellifereno-Glc as substrate incubated for 5 mins prior to subs...				J Med Chem 55: 5734-48 (2012) Article DOI: 10.1021/jm300063b BindingDB Entry DOI: 10.7270/Q2H70GZ1
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM18447 (2-({4-[(5-chloro-2-methoxyphenyl)amino]-6-(pyrroli...) Show SMILES COc1ccc(Cl)cc1Nc1nc(NCCO)nc(n1)N1CCCC1 Show InChI InChI=1S/C16H21ClN6O2/c1-25-13-5-4-11(17)10-12(13)19-15-20-14(18-6-9-24)21-16(22-15)23-7-2-3-8-23/h4-5,10,24H,2-3,6-9H2,1H3,(H2,18,19,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translation Sciences Curated by ChEMBL					Assay Description Inhibition of wild type glucocerebrosidase using 4-methylumbellifereno-Glc as substrate incubated for 5 mins prior to substrate addition measured aft...				J Med Chem 55: 5734-48 (2012) Article DOI: 10.1021/jm300063b BindingDB Entry DOI: 10.7270/Q2H70GZ1
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM18447 (2-({4-[(5-chloro-2-methoxyphenyl)amino]-6-(pyrroli...) Show SMILES COc1ccc(Cl)cc1Nc1nc(NCCO)nc(n1)N1CCCC1 Show InChI InChI=1S/C16H21ClN6O2/c1-25-13-5-4-11(17)10-12(13)19-15-20-14(18-6-9-24)21-16(22-15)23-7-2-3-8-23/h4-5,10,24H,2-3,6-9H2,1H3,(H2,18,19,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	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...				Bioorg Med Chem Lett 17: 5783-9 (2007) Article DOI: 10.1016/j.bmcl.2007.08.050 BindingDB Entry DOI: 10.7270/Q2Q81BBW
					More data for this Ligand-Target Pair