BDBM50238568 CHEMBL4100744

SMILES: O=C(NCCCCc1ccccc1)n1cnc2ccccc12

InChI Key: InChIKey=GVYLBEIMGTYIHI-UHFFFAOYSA-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 = 50238568   

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
Acid ceramidase (Homo sapiens (Human))	BDBM50238568 (CHEMBL4100744) Show SMILES O=C(NCCCCc1ccccc1)n1cnc2ccccc12 Show InChI InChI=1S/C18H19N3O/c22-18(21-14-20-16-11-4-5-12-17(16)21)19-13-7-6-10-15-8-2-1-3-9-15/h1-5,8-9,11-12,14H,6-7,10,13H2,(H,19,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Inhibition of human C-terminal His-tagged acid ceramidase variant 1 expressed in HEK293 cells using fluorogenic substrate Rbm-14-12 preincubated for ...				J Med Chem 60: 5800-5815 (2017) Article DOI: 10.1021/acs.jmedchem.7b00472 BindingDB Entry DOI: 10.7270/Q2SB481G
					More data for this Ligand-Target Pair
Acid ceramidase (Homo sapiens (Human))	BDBM50238568 (CHEMBL4100744) Show SMILES O=C(NCCCCc1ccccc1)n1cnc2ccccc12 Show InChI InChI=1S/C18H19N3O/c22-18(21-14-20-16-11-4-5-12-17(16)21)19-13-7-6-10-15-8-2-1-3-9-15/h1-5,8-9,11-12,14H,6-7,10,13H2,(H,19,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Inhibition of acid ceramidase in human G361 cells using fluorogenic substrate Rbm-14-12 preincubated for 2 hrs followed by substrate addition measure...				J Med Chem 60: 5800-5815 (2017) Article DOI: 10.1021/acs.jmedchem.7b00472 BindingDB Entry DOI: 10.7270/Q2SB481G
					More data for this Ligand-Target Pair
Acid ceramidase (Homo sapiens (Human))	BDBM50238568 (CHEMBL4100744) Show SMILES O=C(NCCCCc1ccccc1)n1cnc2ccccc12 Show InChI InChI=1S/C18H19N3O/c22-18(21-14-20-16-11-4-5-12-17(16)21)19-13-7-6-10-15-8-2-1-3-9-15/h1-5,8-9,11-12,14H,6-7,10,13H2,(H,19,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	76	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Inhibition of dopamine uptake in rat synaptosomal fraction				J Med Chem 60: 5800-5815 (2017) Article DOI: 10.1021/acs.jmedchem.7b00472 BindingDB Entry DOI: 10.7270/Q2SB481G
					More data for this Ligand-Target Pair