BDBM50236909 CHEMBL4090473

SMILES: Cc1oc2cc3oc(=O)c4CCCCc4c3cc2c1C

InChI Key: InChIKey=XHLNYQWMGGXIOS-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50236909   

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, mitochondrial (Homo sapiens (Human))	BDBM50236909 (CHEMBL4090473) Show SMILES Cc1oc2cc3oc(=O)c4CCCCc4c3cc2c1C Show InChI InChI=1S/C17H16O3/c1-9-10(2)19-15-8-16-14(7-13(9)15)11-5-3-4-6-12(11)17(18)20-16/h7-8H,3-6H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Agonist effect on the Dopamine D4.2 receptor was determined by evaluating effective concentration causing stimulation of mitogenesis				J Med Chem 60: 2439-2455 (2017) Article DOI: 10.1021/acs.jmedchem.6b01825 BindingDB Entry DOI: 10.7270/Q2M32Z11
					More data for this Ligand-Target Pair
Aldehyde dehydrogenase X, mitochondrial (Homo sapiens (Human))	BDBM50236909 (CHEMBL4090473) Show SMILES Cc1oc2cc3oc(=O)c4CCCCc4c3cc2c1C Show InChI InChI=1S/C17H16O3/c1-9-10(2)19-15-8-16-14(7-13(9)15)11-5-3-4-6-12(11)17(18)20-16/h7-8H,3-6H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	95	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of full length recombinant human ALDH1B1 expressed in Escherichia coli TunerDE3 assessed as reduction in dehydrogenase activity by measuri...				J Med Chem 60: 2439-2455 (2017) Article DOI: 10.1021/acs.jmedchem.6b01825 BindingDB Entry DOI: 10.7270/Q2M32Z11
					More data for this Ligand-Target Pair
Retinal dehydrogenase 2 (Homo sapiens (Human))	BDBM50236909 (CHEMBL4090473) Show SMILES Cc1oc2cc3oc(=O)c4CCCCc4c3cc2c1C Show InChI InChI=1S/C17H16O3/c1-9-10(2)19-15-8-16-14(7-13(9)15)11-5-3-4-6-12(11)17(18)20-16/h7-8H,3-6H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of full length recombinant human ALDH1A2 expressed in Escherichia coli BL21(DE3) assessed as reduction in dehydrogenase activity by measur...				J Med Chem 60: 2439-2455 (2017) Article DOI: 10.1021/acs.jmedchem.6b01825 BindingDB Entry DOI: 10.7270/Q2M32Z11
					More data for this Ligand-Target Pair
Aldehyde dehydrogenase 1A1 (ALDH1A1) (Homo sapiens (Human))	BDBM50236909 (CHEMBL4090473) Show SMILES Cc1oc2cc3oc(=O)c4CCCCc4c3cc2c1C Show InChI InChI=1S/C17H16O3/c1-9-10(2)19-15-8-16-14(7-13(9)15)11-5-3-4-6-12(11)17(18)20-16/h7-8H,3-6H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of full length recombinant human ALDH1A1 expressed in Escherichia coli BL21(DE3) assessed as reduction in dehydrogenase activity by measur...				J Med Chem 60: 2439-2455 (2017) Article DOI: 10.1021/acs.jmedchem.6b01825 BindingDB Entry DOI: 10.7270/Q2M32Z11
					More data for this Ligand-Target Pair