BDBM50445514 CHEMBL3103040

SMILES: COc1ccc(cc1)-n1cnc2cc(ccc12)C(=O)N1CCCCC1

InChI Key: InChIKey=FUCWZIFGSAFUAO-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50445514   

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
Aldehyde dehydrogenase 1A1 (Homo sapiens (Human))	BDBM50445514 (CHEMBL3103040) Show SMILES COc1ccc(cc1)-n1cnc2cc(ccc12)C(=O)N1CCCCC1 Show InChI InChI=1S/C20H21N3O2/c1-25-17-8-6-16(7-9-17)23-14-21-18-13-15(5-10-19(18)23)20(24)22-11-3-2-4-12-22/h5-10,13-14H,2-4,11-12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.36E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of ALDH1A1 (unknown origin) using NAD+/propionaldehyde as substrate after 15 mins by UV-fluorescence assay				Bioorg Med Chem Lett 24: 630-5 (2014) Article DOI: 10.1016/j.bmcl.2013.11.081 BindingDB Entry DOI: 10.7270/Q28G8N6H
					More data for this Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD(+)] (Homo sapiens (Human))	BDBM50445514 (CHEMBL3103040) Show SMILES COc1ccc(cc1)-n1cnc2cc(ccc12)C(=O)N1CCCCC1 Show InChI InChI=1S/C20H21N3O2/c1-25-17-8-6-16(7-9-17)23-14-21-18-13-15(5-10-19(18)23)20(24)22-11-3-2-4-12-22/h5-10,13-14H,2-4,11-12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of human HPGD using PGE2 as substrate after 15 mins by fluorescence assay				Bioorg Med Chem Lett 24: 630-5 (2014) Article DOI: 10.1016/j.bmcl.2013.11.081 BindingDB Entry DOI: 10.7270/Q28G8N6H
					More data for this Ligand-Target Pair