Compile Data Set for Download or QSAR

Found 7 hits of ki for UniProtKB: P47895   

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))	BDBM50538688 (CHEMBL4642789) Show SMILES COC(=O)c1ccc(cc1)-c1cccn2cc(nc12)-c1ccccc1 Show InChI InChI=1S/C21H16N2O2/c1-25-21(24)17-11-9-15(10-12-17)18-8-5-13-23-14-19(22-20(18)23)16-6-3-2-4-7-16/h2-14H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pisa Curated by ChEMBL					Assay Description Competitive inhibition of human recombinant ALDH1A3 pre-incubated for 5 mins before acetaldehyde addition by continuous spectrometric assay relative ...				ACS Med Chem Lett 11: 963-970 (2020) Article DOI: 10.1021/acsmedchemlett.9b00686 BindingDB Entry DOI: 10.7270/Q2N301G7
					More data for this Ligand-Target Pair
Aldehyde dehydrogenase family 1 member A3 (Homo sapiens (Human))	BDBM50459608 (CHEBI:90441 | CHEMBL3276621) Show SMILES ClC(Cl)C(=O)NCCCCCCCCNC(=O)C(Cl)Cl Show InChI InChI=1S/C12H20Cl4N2O2/c13-9(14)11(19)17-7-5-3-1-2-4-6-8-18-12(20)10(15)16/h9-10H,1-8H2,(H,17,19)(H,18,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	261	n/a	n/a	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 ALDH1A3				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))	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
					More data for this Ligand-Target Pair
Aldehyde dehydrogenase family 1 member A3 (Homo sapiens (Human))	BDBM50527781 (CHEMBL4456676) Show SMILES c1c(nc2ccc(cn12)-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C19H14N2/c1-3-7-15(8-4-1)17-11-12-19-20-18(14-21(19)13-17)16-9-5-2-6-10-16/h1-14H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pisa Curated by ChEMBL					Assay Description Competitive inhibition of recombinant human 6His-tagged ALDH1A3 expressed in Escherichia coli BL21(DE3) using varying level of acetaldehyde as substr...				J Med Chem 63: 4603-4616 (2020) Article DOI: 10.1021/acs.jmedchem.9b01910 BindingDB Entry DOI: 10.7270/Q22V2KJT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldehyde dehydrogenase family 1 member A3 (Homo sapiens (Human))	BDBM50585950 (CHEMBL5075900) Show SMILES CC(C)Oc1ccc(C=O)cc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	<1.00E+3	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
					More data for this Ligand-Target Pair
Aldehyde dehydrogenase family 1 member A3 (Homo sapiens (Human))	BDBM50585951 (CHEMBL5086460) Show SMILES Cc1cc(C=O)ccc1N1CCCCC1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	<1.00E+3	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
					More data for this Ligand-Target Pair
Aldehyde dehydrogenase family 1 member A3 (Homo sapiens (Human))	BDBM50538685 (CHEMBL4644541) Show SMILES Clc1ccc(cc1)-c1cccn2cc(nc12)-c1ccccc1 Show InChI InChI=1S/C19H13ClN2/c20-16-10-8-14(9-11-16)17-7-4-12-22-13-18(21-19(17)22)15-5-2-1-3-6-15/h1-13H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	8.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pisa Curated by ChEMBL					Assay Description Competitive inhibition of human recombinant ALDH1A3 pre-incubated for 5 mins before acetaldehyde addition by continuous spectrometric assay relative ...				ACS Med Chem Lett 11: 963-970 (2020) Article DOI: 10.1021/acsmedchemlett.9b00686 BindingDB Entry DOI: 10.7270/Q2N301G7
					More data for this Ligand-Target Pair				3D Structure (crystal)