BDBM50538686 CHEMBL4640253

SMILES: c1c(nc2c(cccn12)-c1ccccc1)-c1ccccc1

InChI Key: InChIKey=SQWWGVSPWSXMCD-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 = 50538686   

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 family 1 member A3 (Homo sapiens (Human))	BDBM50538686 (CHEMBL4640253) Show SMILES c1c(nc2c(cccn12)-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C19H14N2/c1-3-8-15(9-4-1)17-12-7-13-21-14-18(20-19(17)21)16-10-5-2-6-11-16/h1-14H	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	8.06E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pisa Curated by ChEMBL					Assay Description Inhibition of human recombinant ALDH1A3 pre-incubated for 5 mins before acetaldehyde addition by continuous spectrometric assay relative to control				ACS Med Chem Lett 11: 963-970 (2020)
					More data for this Ligand-Target Pair
Retinal dehydrogenase 2 (Homo sapiens (Human))	BDBM50538686 (CHEMBL4640253) Show SMILES c1c(nc2c(cccn12)-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C19H14N2/c1-3-8-15(9-4-1)17-12-7-13-21-14-18(20-19(17)21)16-10-5-2-6-11-16/h1-14H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	6.14E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pisa Curated by ChEMBL					Assay Description Inhibition of human recombinant ALDH1A2 pre-incubated for 5 mins before acetaldehyde addition by continuous spectrometric assay relative to control				ACS Med Chem Lett 11: 963-970 (2020)
					More data for this Ligand-Target Pair