Compile Data Set for Download or QSAR

Found 44 hits with Last Name = 'garavaglia' and Initial = 's'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	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)
Retinal dehydrogenase 2 (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 GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	920	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 ALDH1A2 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))	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)
Retinal dehydrogenase 2 (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 GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	2.76E+4	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 ALDH1A2 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 1A1 (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.95E+4	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 ALDH1A1 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 1A1 (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	1.68E+5	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 ALDH1A1 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))	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	n/a	n/a	660	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) Article DOI: 10.1021/acsmedchemlett.9b00686 BindingDB Entry DOI: 10.7270/Q2N301G7
					More data for this Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM50324539 ((S)-(-)-9-(4-aminopiperazin-1-yl)-8-fluoro-3-methy...) Show SMILES C[C@H]1COc2c(N3CCN(N)CC3)c(F)cc3c2n1cc(C(O)=O)c3=O |r| Show InChI InChI=1S/C17H19FN4O4/c1-9-8-26-16-13-10(15(23)11(17(24)25)7-22(9)13)6-12(18)14(16)20-2-4-21(19)5-3-20/h6-7,9H,2-5,8,19H2,1H3,(H,24,25)/t9-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	MMDB Article PubMed	n/a	n/a	910	n/a	n/a	n/a	n/a	n/a	n/a
University of Piemonte Orientale Amedeo Avogadro Curated by ChEMBL					Assay Description Inhibition of human recombinant MBP-KAT2 expressed in HEK293 cells assessed as conversion of L-kynurenine to kynurenic acid after 1 hr				J Med Chem 53: 5684-9 (2010) Article DOI: 10.1021/jm100464k BindingDB Entry DOI: 10.7270/Q2HM58N6
					More data for this Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM50324539 ((S)-(-)-9-(4-aminopiperazin-1-yl)-8-fluoro-3-methy...) Show SMILES C[C@H]1COc2c(N3CCN(N)CC3)c(F)cc3c2n1cc(C(O)=O)c3=O |r| Show InChI InChI=1S/C17H19FN4O4/c1-9-8-26-16-13-10(15(23)11(17(24)25)7-22(9)13)6-12(18)14(16)20-2-4-21(19)5-3-20/h6-7,9H,2-5,8,19H2,1H3,(H,24,25)/t9-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	MMDB Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Piemonte Orientale Amedeo Avogadro Curated by ChEMBL					Assay Description Inhibition of KAT2 in human prefrontal cortex homogenates				J Med Chem 53: 5684-9 (2010) Article DOI: 10.1021/jm100464k BindingDB Entry DOI: 10.7270/Q2HM58N6
					More data for this Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial (Rattus norvegicus)	BDBM50324539 ((S)-(-)-9-(4-aminopiperazin-1-yl)-8-fluoro-3-methy...) Show SMILES C[C@H]1COc2c(N3CCN(N)CC3)c(F)cc3c2n1cc(C(O)=O)c3=O |r| Show InChI InChI=1S/C17H19FN4O4/c1-9-8-26-16-13-10(15(23)11(17(24)25)7-22(9)13)6-12(18)14(16)20-2-4-21(19)5-3-20/h6-7,9H,2-5,8,19H2,1H3,(H,24,25)/t9-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Piemonte Orientale Amedeo Avogadro Curated by ChEMBL					Assay Description Inhibition of rat brain KAT2				J Med Chem 53: 5684-9 (2010) Article DOI: 10.1021/jm100464k BindingDB Entry DOI: 10.7270/Q2HM58N6
					More data for this Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM50416560 (CHEMBL1215660) Show SMILES C[C@@H]1COc2c(N3CCN(N)CC3)c(F)cc3c2n1cc(C(O)=O)c3=O |r| Show InChI InChI=1S/C17H19FN4O4/c1-9-8-26-16-13-10(15(23)11(17(24)25)7-22(9)13)6-12(18)14(16)20-2-4-21(19)5-3-20/h6-7,9H,2-5,8,19H2,1H3,(H,24,25)/t9-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Piemonte Orientale Amedeo Avogadro Curated by ChEMBL					Assay Description Inhibition of human recombinant MBP-KAT2 expressed in HEK293 cells assessed as conversion of L-kynurenine to kynurenic acid after 1 hr				J Med Chem 53: 5684-9 (2010) Article DOI: 10.1021/jm100464k BindingDB Entry DOI: 10.7270/Q2HM58N6
					More data for this Ligand-Target Pair
Aldehyde dehydrogenase family 1 member A3 (Homo sapiens (Human))	BDBM50527782 (CHEMBL4441577) Show SMILES COc1ccc(cc1)-c1cn2cc(ccc2n1)-c1cc(OC)cc(OC)c1 Show InChI InChI=1S/C22H20N2O3/c1-25-18-7-4-15(5-8-18)21-14-24-13-16(6-9-22(24)23-21)17-10-19(26-2)12-20(11-17)27-3/h4-14H,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Pisa Curated by ChEMBL					Assay Description Inhibition of recombinant human 6His-tagged ALDH1A3 expressed in Escherichia coli BL21(DE3) using acetaldehyde as substrate preincubated for 5 mins f...				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))	BDBM50538690 (CHEMBL4645309) Show SMILES COc1cccc(c1)-c1cn2cccc(-c3ccc(Cl)cc3)c2n1 Show InChI InChI=1S/C20H15ClN2O/c1-24-17-5-2-4-15(12-17)19-13-23-11-3-6-18(20(23)22-19)14-7-9-16(21)10-8-14/h2-13H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.30E+3	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) 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))	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	n/a	n/a	4.70E+3	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) Article DOI: 10.1021/acsmedchemlett.9b00686 BindingDB Entry DOI: 10.7270/Q2N301G7
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	n/a	n/a	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Pisa Curated by ChEMBL					Assay Description Inhibition of recombinant human 6His-tagged ALDH1A3 expressed in Escherichia coli BL21(DE3) using acetaldehyde as substrate preincubated for 5 mins f...				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))	BDBM50527795 (CHEMBL4579414) Show SMILES N#Cc1ccc(cc1)-c1ccc2nc(cn2c1)-c1ccccc1 Show InChI InChI=1S/C20H13N3/c21-12-15-6-8-16(9-7-15)18-10-11-20-22-19(14-23(20)13-18)17-4-2-1-3-5-17/h1-11,13-14H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Pisa Curated by ChEMBL					Assay Description Inhibition of recombinant human 6His-tagged ALDH1A3 expressed in Escherichia coli BL21(DE3) using acetaldehyde as substrate preincubated for 5 mins f...				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
Aldehyde dehydrogenase family 1 member A3 (Homo sapiens (Human))	BDBM50527784 (CHEMBL4566360) Show SMILES N#Cc1cccc(c1)-c1ccc2nc(cn2c1)-c1ccccc1 Show InChI InChI=1S/C20H13N3/c21-12-15-5-4-8-17(11-15)18-9-10-20-22-19(14-23(20)13-18)16-6-2-1-3-7-16/h1-11,13-14H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	5.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Pisa Curated by ChEMBL					Assay Description Inhibition of recombinant human 6His-tagged ALDH1A3 expressed in Escherichia coli BL21(DE3) using acetaldehyde as substrate preincubated for 5 mins f...				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))	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	n/a	n/a	5.50E+3	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) Article DOI: 10.1021/acsmedchemlett.9b00686 BindingDB Entry DOI: 10.7270/Q2N301G7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldehyde dehydrogenase family 1 member A3 (Homo sapiens (Human))	BDBM50538687 (CHEMBL4637120) Show SMILES Fc1ccc(cc1)-c1cccn2cc(nc12)-c1ccccc1 Show InChI InChI=1S/C19H13FN2/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 UniChem	Article PubMed	n/a	n/a	6.00E+3	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) 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))	BDBM50527788 (CHEMBL4450023) Show SMILES COc1cccc(c1)-c1cn2cc(ccc2n1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C20H15ClN2O/c1-24-18-4-2-3-15(11-18)19-13-23-12-16(7-10-20(23)22-19)14-5-8-17(21)9-6-14/h2-13H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Pisa Curated by ChEMBL					Assay Description Inhibition of recombinant human 6His-tagged ALDH1A3 expressed in Escherichia coli BL21(DE3) using acetaldehyde as substrate preincubated for 5 mins f...				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
Aldehyde dehydrogenase family 1 member A3 (Homo sapiens (Human))	BDBM50538689 (CHEMBL4640511) Show SMILES COc1cccc(c1)-c1cn2cccc(-c3ccc(F)cc3)c2n1 Show InChI InChI=1S/C20H15FN2O/c1-24-17-5-2-4-15(12-17)19-13-23-11-3-6-18(20(23)22-19)14-7-9-16(21)10-8-14/h2-13H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.20E+3	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) 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))	BDBM50527789 (CHEMBL4454424) Show SMILES COc1ccc(cc1)-c1cn2cc(ccc2n1)-c1ccc(OC)c(OC)c1 Show InChI InChI=1S/C22H20N2O3/c1-25-18-8-4-15(5-9-18)19-14-24-13-17(7-11-22(24)23-19)16-6-10-20(26-2)21(12-16)27-3/h4-14H,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Pisa Curated by ChEMBL					Assay Description Inhibition of recombinant human 6His-tagged ALDH1A3 expressed in Escherichia coli BL21(DE3) using acetaldehyde as substrate preincubated for 5 mins f...				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
Aldehyde dehydrogenase family 1 member A3 (Homo sapiens (Human))	BDBM50527790 (CHEMBL4290215) Show SMILES Cc1ccc(cc1)-c1cn2cc(ccc2n1)-c1ccccc1 Show InChI InChI=1S/C20H16N2/c1-15-7-9-17(10-8-15)19-14-22-13-18(11-12-20(22)21-19)16-5-3-2-4-6-16/h2-14H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.13E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pisa Curated by ChEMBL					Assay Description Inhibition of recombinant human 6His-tagged ALDH1A3 expressed in Escherichia coli BL21(DE3) using acetaldehyde as substrate preincubated for 5 mins f...				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
Aldehyde dehydrogenase family 1 member A3 (Homo sapiens (Human))	BDBM50527780 (CHEMBL4437739) Show SMILES COc1ccc(cc1)-c1cn2cc(ccc2n1)-c1ccc(OC)cc1 Show InChI InChI=1S/C21H18N2O2/c1-24-18-8-3-15(4-9-18)17-7-12-21-22-20(14-23(21)13-17)16-5-10-19(25-2)11-6-16/h3-14H,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.14E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pisa Curated by ChEMBL					Assay Description Inhibition of recombinant human 6His-tagged ALDH1A3 expressed in Escherichia coli BL21(DE3) using acetaldehyde as substrate preincubated for 5 mins f...				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
Aldehyde dehydrogenase 1A1 (Homo sapiens (Human))	BDBM50527787 (CHEMBL4453661) Show SMILES Clc1ccc(cc1)-c1ccc2nc(cn2c1)-c1ccc(Br)cc1 Show InChI InChI=1S/C19H12BrClN2/c20-16-6-1-14(2-7-16)18-12-23-11-15(5-10-19(23)22-18)13-3-8-17(21)9-4-13/h1-12H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.73E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pisa Curated by ChEMBL					Assay Description Inhibition of recombinant human 6His-tagged ALDH1A1 expressed in Escherichia coli BL21(DE3) using acetaldehyde as substrate preincubated for 5 mins f...				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
Aldehyde dehydrogenase family 1 member A3 (Homo sapiens (Human))	BDBM50527791 (CHEMBL4437559) Show SMILES COc1ccc(cc1)-c1ccc2nc(cn2c1)-c1ccccc1 Show InChI InChI=1S/C20H16N2O/c1-23-18-10-7-15(8-11-18)17-9-12-20-21-19(14-22(20)13-17)16-5-3-2-4-6-16/h2-14H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.78E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pisa Curated by ChEMBL					Assay Description Inhibition of recombinant human 6His-tagged ALDH1A3 expressed in Escherichia coli BL21(DE3) using acetaldehyde as substrate preincubated for 5 mins f...				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
Aldehyde dehydrogenase 1A1 (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.96E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pisa Curated by ChEMBL					Assay Description Inhibition of recombinant human 6His-tagged ALDH1A1 expressed in Escherichia coli BL21(DE3) using acetaldehyde as substrate preincubated for 5 mins f...				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
Aldehyde dehydrogenase family 1 member A3 (Homo sapiens (Human))	BDBM50527783 (CHEMBL4436671) Show SMILES COc1cccc(c1)-c1cn2cc(ccc2n1)-c1ccc(F)cc1 Show InChI InChI=1S/C20H15FN2O/c1-24-18-4-2-3-15(11-18)19-13-23-12-16(7-10-20(23)22-19)14-5-8-17(21)9-6-14/h2-13H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.12E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pisa Curated by ChEMBL					Assay Description Inhibition of recombinant human 6His-tagged ALDH1A3 expressed in Escherichia coli BL21(DE3) using acetaldehyde as substrate preincubated for 5 mins f...				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
Aldehyde dehydrogenase family 1 member A3 (Homo sapiens (Human))	BDBM50527786 (CHEMBL4440588) Show SMILES Fc1ccc(cc1)-c1ccc2nc(cn2c1)-c1ccccc1 Show InChI InChI=1S/C19H13FN2/c20-17-9-6-14(7-10-17)16-8-11-19-21-18(13-22(19)12-16)15-4-2-1-3-5-15/h1-13H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.28E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pisa Curated by ChEMBL					Assay Description Inhibition of recombinant human 6His-tagged ALDH1A3 expressed in Escherichia coli BL21(DE3) using acetaldehyde as substrate preincubated for 5 mins f...				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
Aldehyde dehydrogenase family 1 member A3 (Homo sapiens (Human))	BDBM50527792 (CHEMBL4526691) Show SMILES CSc1ccc(cc1)-c1ccc2nc(cn2c1)-c1ccccc1 Show InChI InChI=1S/C20H16N2S/c1-23-18-10-7-15(8-11-18)17-9-12-20-21-19(14-22(20)13-17)16-5-3-2-4-6-16/h2-14H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.71E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pisa Curated by ChEMBL					Assay Description Inhibition of recombinant human 6His-tagged ALDH1A3 expressed in Escherichia coli BL21(DE3) using acetaldehyde as substrate preincubated for 5 mins f...				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
Aldehyde dehydrogenase family 1 member A3 (Homo sapiens (Human))	BDBM50527793 (CHEMBL4564832) Show SMILES COC(=O)c1ccc(cc1)-c1ccc2nc(cn2c1)-c1ccccc1 Show InChI InChI=1S/C21H16N2O2/c1-25-21(24)17-9-7-15(8-10-17)18-11-12-20-22-19(14-23(20)13-18)16-5-3-2-4-6-16/h2-14H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.74E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pisa Curated by ChEMBL					Assay Description Inhibition of recombinant human 6His-tagged ALDH1A3 expressed in Escherichia coli BL21(DE3) using acetaldehyde as substrate preincubated for 5 mins f...				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
Retinal dehydrogenase 2 (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 GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	2.76E+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) Article DOI: 10.1021/acsmedchemlett.9b00686 BindingDB Entry DOI: 10.7270/Q2N301G7
					More data for this Ligand-Target Pair
Kynurenine--oxoglutarate transaminase 1 (Homo sapiens (Human))	BDBM50324539 ((S)-(-)-9-(4-aminopiperazin-1-yl)-8-fluoro-3-methy...) Show SMILES C[C@H]1COc2c(N3CCN(N)CC3)c(F)cc3c2n1cc(C(O)=O)c3=O |r| Show InChI InChI=1S/C17H19FN4O4/c1-9-8-26-16-13-10(15(23)11(17(24)25)7-22(9)13)6-12(18)14(16)20-2-4-21(19)5-3-20/h6-7,9H,2-5,8,19H2,1H3,(H,24,25)/t9-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Piemonte Orientale Amedeo Avogadro Curated by ChEMBL					Assay Description Inhibition of KAT1 in human prefrontal cortex homogenates				J Med Chem 53: 5684-9 (2010) Article DOI: 10.1021/jm100464k BindingDB Entry DOI: 10.7270/Q2HM58N6
					More data for this Ligand-Target Pair
Kynurenine--oxoglutarate transaminase 1 (Homo sapiens (Human))	BDBM50324539 ((S)-(-)-9-(4-aminopiperazin-1-yl)-8-fluoro-3-methy...) Show SMILES C[C@H]1COc2c(N3CCN(N)CC3)c(F)cc3c2n1cc(C(O)=O)c3=O |r| Show InChI InChI=1S/C17H19FN4O4/c1-9-8-26-16-13-10(15(23)11(17(24)25)7-22(9)13)6-12(18)14(16)20-2-4-21(19)5-3-20/h6-7,9H,2-5,8,19H2,1H3,(H,24,25)/t9-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Piemonte Orientale Amedeo Avogadro Curated by ChEMBL					Assay Description Inhibition of human recombinant MBP-KAT1 expressed in HEK293 cells assessed as conversion of L-kynurenine to kynurenic acid after 1 hr				J Med Chem 53: 5684-9 (2010) Article DOI: 10.1021/jm100464k BindingDB Entry DOI: 10.7270/Q2HM58N6
					More data for this Ligand-Target Pair
Aldehyde dehydrogenase family 1 member A3 (Homo sapiens (Human))	BDBM50527785 (CHEMBL4519005) Show SMILES Clc1ccc(cc1)-c1ccc2nc(cn2c1)-c1ccccc1 Show InChI InChI=1S/C19H13ClN2/c20-17-9-6-14(7-10-17)16-8-11-19-21-18(13-22(19)12-16)15-4-2-1-3-5-15/h1-13H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.58E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pisa Curated by ChEMBL					Assay Description Inhibition of recombinant human 6His-tagged ALDH1A3 expressed in Escherichia coli BL21(DE3) using acetaldehyde as substrate preincubated for 5 mins f...				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
Retinal dehydrogenase 2 (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 GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	5.46E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pisa Curated by ChEMBL					Assay Description Inhibition of recombinant human 6His-tagged ALDH1A2 expressed in Escherichia coli BL21(DE3) using acetaldehyde as substrate preincubated for 5 mins f...				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
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	Article 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) Article DOI: 10.1021/acsmedchemlett.9b00686 BindingDB Entry DOI: 10.7270/Q2N301G7
					More data for this Ligand-Target Pair
Aldehyde dehydrogenase 1A1 (Homo sapiens (Human))	BDBM50527785 (CHEMBL4519005) Show SMILES Clc1ccc(cc1)-c1ccc2nc(cn2c1)-c1ccccc1 Show InChI InChI=1S/C19H13ClN2/c20-17-9-6-14(7-10-17)16-8-11-19-21-18(13-22(19)12-16)15-4-2-1-3-5-15/h1-13H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.88E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pisa Curated by ChEMBL					Assay Description Inhibition of recombinant human 6His-tagged ALDH1A1 expressed in Escherichia coli BL21(DE3) using acetaldehyde as substrate preincubated for 5 mins f...				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
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 antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article 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) 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))	BDBM50527794 (CHEMBL4463367) Show SMILES Cc1ccc(cc1)-c1cn2cc(ccc2n1)-c1ccc(F)cc1 Show InChI InChI=1S/C20H15FN2/c1-14-2-4-16(5-3-14)19-13-23-12-17(8-11-20(23)22-19)15-6-9-18(21)10-7-15/h2-13H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.29E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pisa Curated by ChEMBL					Assay Description Inhibition of recombinant human 6His-tagged ALDH1A3 expressed in Escherichia coli BL21(DE3) using acetaldehyde as substrate preincubated for 5 mins f...				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
Aldehyde dehydrogenase 1A1 (Homo sapiens (Human))	BDBM50527793 (CHEMBL4564832) Show SMILES COC(=O)c1ccc(cc1)-c1ccc2nc(cn2c1)-c1ccccc1 Show InChI InChI=1S/C21H16N2O2/c1-25-21(24)17-9-7-15(8-10-17)18-11-12-20-22-19(14-23(20)13-18)16-5-3-2-4-6-16/h2-14H,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	9.69E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pisa Curated by ChEMBL					Assay Description Inhibition of recombinant human 6His-tagged ALDH1A1 expressed in Escherichia coli BL21(DE3) using acetaldehyde as substrate preincubated for 5 mins f...				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
Aldehyde dehydrogenase 1A1 (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.68E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Pisa Curated by ChEMBL					Assay Description Inhibition of human recombinant ALDH1A1 pre-incubated for 5 mins before acetaldehyde addition by continuous spectrometric assay relative to control				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 1A1 (Homo sapiens (Human))	BDBM50527782 (CHEMBL4441577) Show SMILES COc1ccc(cc1)-c1cn2cc(ccc2n1)-c1cc(OC)cc(OC)c1 Show InChI InChI=1S/C22H20N2O3/c1-25-18-7-4-15(5-8-18)21-14-24-13-16(6-9-22(24)23-21)17-10-19(26-2)12-20(11-17)27-3/h4-14H,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.98E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Pisa Curated by ChEMBL					Assay Description Inhibition of recombinant human 6His-tagged ALDH1A1 expressed in Escherichia coli BL21(DE3) using acetaldehyde as substrate preincubated for 5 mins f...				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