BDBM50238554 CHEMBL4094489

SMILES: COc1nc2ccccc2n1C(=O)NCCCCc1ccccc1

InChI Key: InChIKey=ACLAXCQLZQUWME-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 = 50238554   

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))	BDBM50238554 (CHEMBL4094489) Show SMILES COc1nc2ccccc2n1C(=O)NCCCCc1ccccc1 Show InChI InChI=1S/C19H21N3O2/c1-24-19-21-16-12-5-6-13-17(16)22(19)18(23)20-14-8-7-11-15-9-3-2-4-10-15/h2-6,9-10,12-13H,7-8,11,14H2,1H3,(H,20,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.78E+3	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))	BDBM50238554 (CHEMBL4094489) Show SMILES COc1nc2ccccc2n1C(=O)NCCCCc1ccccc1 Show InChI InChI=1S/C19H21N3O2/c1-24-19-21-16-12-5-6-13-17(16)22(19)18(23)20-14-8-7-11-15-9-3-2-4-10-15/h2-6,9-10,12-13H,7-8,11,14H2,1H3,(H,20,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	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))	BDBM50238554 (CHEMBL4094489) Show SMILES COc1nc2ccccc2n1C(=O)NCCCCc1ccccc1 Show InChI InChI=1S/C19H21N3O2/c1-24-19-21-16-12-5-6-13-17(16)22(19)18(23)20-14-8-7-11-15-9-3-2-4-10-15/h2-6,9-10,12-13H,7-8,11,14H2,1H3,(H,20,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	967	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 A375 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