BindingDB PrimarySearch_ki

Search and Browse
- Target
- Compound
- Special tools
- Citation
- Special Data Sets
- Other Databases
  - PDB 85% 100% Seq ID
  - UniProtKB/Swiss-Prot
  - UniProtKB/TrEMBL
  - PubMed
Download
- All Compounds & Data
- Target Names &
  - Ki IC50 Kd EC50
  - ΔG° ΔH° -TΔS°
Enter Data

null

SMILES: CCCN(CCC)c1ccc(C=O)cc1Br

InChI Key:

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50585949
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Aldehyde dehydrogenase family 1 member A3 (Homo sapiens (Human))	BDBM50585949 (CHEMBL5083058) Show SMILES CCCN(CCC)c1ccc(C=O)cc1Br Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Competitive inhibition of N-terminal-His6 tagged recombinant human ALDH1A3 assessed as increase in Km without change in Vmax using hexanal as substra...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01367 BindingDB Entry DOI: 10.7270/Q22Z19FT
TBA					More data for this Ligand-Target Pair
Aldehyde dehydrogenase, dimeric NADP-preferring (Homo sapiens (Human))	BDBM50585949 (CHEMBL5083058) Show SMILES CCCN(CCC)c1ccc(C=O)cc1Br Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of N-terminal-His6 tagged recombinant human ALDH3A1 assessed as reduction in NADPH production using 4-NBA and NADP+ as substrate by fluori...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01367 BindingDB Entry DOI: 10.7270/Q22Z19FT
TBA					More data for this Ligand-Target Pair
Aldehyde dehydrogenase 1A1 (Homo sapiens (Human))	BDBM50585949 (CHEMBL5083058) Show SMILES CCCN(CCC)c1ccc(C=O)cc1Br Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.08E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of N-terminal-His6 tagged recombinant human ALDH1A1 assessed as reduction in NADH production using hexanal and NAD+ as substrate by fluori...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01367 BindingDB Entry DOI: 10.7270/Q22Z19FT
TBA					More data for this Ligand-Target Pair
Aldehyde dehydrogenase family 1 member A3 (Homo sapiens (Human))	BDBM50585949 (CHEMBL5083058) Show SMILES CCCN(CCC)c1ccc(C=O)cc1Br Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of N-terminal-His6 tagged recombinant human ALDH1A3 assessed as reduction in NADH production using hexanal and NAD+ as substrate by fluori...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01367 BindingDB Entry DOI: 10.7270/Q22Z19FT
TBA					More data for this Ligand-Target Pair