null

SMILES: Cn1ncc2c1nc(SCc1cccc(F)c1)n(CCc1ccccc1)c2=O

InChI Key: InChIKey=FIONBIHHASHFTL-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50459599   

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
Retinal dehydrogenase 2 (Homo sapiens (Human))	BDBM50459599 (CHEMBL4213859) Show SMILES Cn1ncc2c1nc(SCc1cccc(F)c1)n(CCc1ccccc1)c2=O Show InChI InChI=1S/C21H19FN4OS/c1-25-19-18(13-23-25)20(27)26(11-10-15-6-3-2-4-7-15)21(24-19)28-14-16-8-5-9-17(22)12-16/h2-9,12-13H,10-11,14H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of human recombinant ALDH1A2 assessed as reduction in of NAD(P)H formation incubated for 2 mins by spectrophotometry				J Med Chem 61: 8754-8773 (2018) Article DOI: 10.1021/acs.jmedchem.8b00930 BindingDB Entry DOI: 10.7270/Q2V127F6
					More data for this Ligand-Target Pair
Aldehyde dehydrogenase 1A1 (Homo sapiens (Human))	BDBM50459599 (CHEMBL4213859) Show SMILES Cn1ncc2c1nc(SCc1cccc(F)c1)n(CCc1ccccc1)c2=O Show InChI InChI=1S/C21H19FN4OS/c1-25-19-18(13-23-25)20(27)26(11-10-15-6-3-2-4-7-15)21(24-19)28-14-16-8-5-9-17(22)12-16/h2-9,12-13H,10-11,14H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of human recombinant ALDH1A1 assessed as reduction in of NAD(P)H formation incubated for 2 mins by spectrophotometry				J Med Chem 61: 8754-8773 (2018) Article DOI: 10.1021/acs.jmedchem.8b00930 BindingDB Entry DOI: 10.7270/Q2V127F6
					More data for this Ligand-Target Pair
Aldehyde dehydrogenase family 1 member A3 (Homo sapiens (Human))	BDBM50459599 (CHEMBL4213859) Show SMILES Cn1ncc2c1nc(SCc1cccc(F)c1)n(CCc1ccccc1)c2=O Show InChI InChI=1S/C21H19FN4OS/c1-25-19-18(13-23-25)20(27)26(11-10-15-6-3-2-4-7-15)21(24-19)28-14-16-8-5-9-17(22)12-16/h2-9,12-13H,10-11,14H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of human recombinant ALDH1A3 assessed as reduction in of NAD(P)H formation incubated for 2 mins by spectrophotometry				J Med Chem 61: 8754-8773 (2018) Article DOI: 10.1021/acs.jmedchem.8b00930 BindingDB Entry DOI: 10.7270/Q2V127F6
					More data for this Ligand-Target Pair