Compile Data Set for Download or QSAR

Found 129 hits of ic50 data for polymerid = 50006845   

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))	BDBM50567363 (CHEMBL4876602) Show SMILES C[C@@H](Sc1nc2n(C)ncc2c(=O)n1-c1ccccc1)c1ccccc1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ALDH1A3 assessed as NADH formation using propionaldehyde as substrate by spectrophotometery				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113060 BindingDB Entry DOI: 10.7270/Q2N58R5M
					More data for this Ligand-Target Pair
Aldehyde dehydrogenase family 1 member A3 (Homo sapiens (Human))	BDBM50567386 (CHEMBL4861872) Show SMILES CC(Sc1nc2nn(cc2c(=O)n1-c1ccccc1)C1(C)COC1)c1ccccc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ALDH1A3 assessed as NADH formation using propionaldehyde as substrate by spectrophotometery				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113060 BindingDB Entry DOI: 10.7270/Q2N58R5M
					More data for this Ligand-Target Pair
Aldehyde dehydrogenase family 1 member A3 (Homo sapiens (Human))	BDBM50567382 (CHEMBL4859904) Show SMILES CC(Sc1nc2nn(CC3COC3)cc2c(=O)n1-c1ccccc1)c1ccccc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ALDH1A3 assessed as NADH formation using propionaldehyde as substrate by spectrophotometery				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113060 BindingDB Entry DOI: 10.7270/Q2N58R5M
					More data for this Ligand-Target Pair
Aldehyde dehydrogenase family 1 member A3 (Homo sapiens (Human))	BDBM50567362 (CHEMBL4848258) Show SMILES CC(Sc1nc2n(C)ncc2c(=O)n1-c1ccccc1)c1ccccc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ALDH1A3 assessed as NADH formation using propionaldehyde as substrate by spectrophotometery				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113060 BindingDB Entry DOI: 10.7270/Q2N58R5M
					More data for this Ligand-Target Pair
Aldehyde dehydrogenase family 1 member A3 (Homo sapiens (Human))	BDBM50567372 (CHEMBL4875157) Show SMILES CC(Sc1nc2n(C)ncc2c(=O)n1-c1ccccc1)c1ccccn1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	89	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ALDH1A3 assessed as NADH formation using propionaldehyde as substrate by spectrophotometery				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113060 BindingDB Entry DOI: 10.7270/Q2N58R5M
					More data for this Ligand-Target Pair
Aldehyde dehydrogenase family 1 member A3 (Homo sapiens (Human))	BDBM50459603 (CHEMBL4213331) Show SMILES Cn1ncc2c1nc(SCc1cccc(F)c1)n(-c1ccccc1)c2=O Show InChI InChI=1S/C19H15FN4OS/c1-23-17-16(11-21-23)18(25)24(15-8-3-2-4-9-15)19(22-17)26-12-13-6-5-7-14(20)10-13/h2-11H,12H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ALDH1A3 assessed as NADH formation using propionaldehyde as substrate by spectrophotometery				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113060 BindingDB Entry DOI: 10.7270/Q2N58R5M
					More data for this Ligand-Target Pair
Aldehyde dehydrogenase family 1 member A3 (Homo sapiens (Human))	BDBM50459603 (CHEMBL4213331) Show SMILES Cn1ncc2c1nc(SCc1cccc(F)c1)n(-c1ccccc1)c2=O Show InChI InChI=1S/C19H15FN4OS/c1-23-17-16(11-21-23)18(25)24(15-8-3-2-4-9-15)19(22-17)26-12-13-6-5-7-14(20)10-13/h2-11H,12H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	90	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 recombinant ALDH1A3 assessed as reduction in of NAD(P)H formation incubated for 2 mins by spectrophotometry				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))	BDBM50567376 (CHEMBL4848831) Show SMILES CC(Sc1nc2n(C)ncc2c(=O)n1-c1ccccc1)c1cccc(O)c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	91	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ALDH1A3 assessed as NADH formation using propionaldehyde as substrate by spectrophotometery				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113060 BindingDB Entry DOI: 10.7270/Q2N58R5M
					More data for this Ligand-Target Pair
Aldehyde dehydrogenase family 1 member A3 (Homo sapiens (Human))	BDBM50567373 (CHEMBL4855442) Show SMILES CC(Sc1nc2n(C)ncc2c(=O)n1-c1ccccc1)c1cccnc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	95	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ALDH1A3 assessed as NADH formation using propionaldehyde as substrate by spectrophotometery				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113060 BindingDB Entry DOI: 10.7270/Q2N58R5M
					More data for this Ligand-Target Pair
Aldehyde dehydrogenase family 1 member A3 (Homo sapiens (Human))	BDBM50567374 (CHEMBL4849624) Show SMILES CC(Sc1nc2n(C)ncc2c(=O)n1-c1ccccc1)c1cncnc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ALDH1A3 assessed as NADH formation using propionaldehyde as substrate by spectrophotometery				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113060 BindingDB Entry DOI: 10.7270/Q2N58R5M
					More data for this Ligand-Target Pair
Aldehyde dehydrogenase family 1 member A3 (Homo sapiens (Human))	CHEMBL5274968 Show SMILES NS(=O)(=O)c1cc2ccccc2[nH]1 Show InChI InChI=1S/C8H8N2O2S/c9-13(11,12)8-5-6-3-1-2-4-7(6)10-8/h1-5,10H,(H2,9,11,12)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Potency against histamine H1 receptor on guinea pig ileum				Citation and Details
					More data for this Ligand-Target Pair
Aldehyde dehydrogenase family 1 member A3 (Homo sapiens (Human))	CHEMBL5269320 Show SMILES COc1ccc2cc(n(c2c1)S(=O)(=O)c1ccccc1)S(N)(=O)=O Show InChI InChI=1S/C15H14N2O5S2/c1-22-12-8-7-11-9-15(23(16,18)19)17(14(11)10-12)24(20,21)13-5-3-2-4-6-13/h2-10H,1H3,(H2,16,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL CHEMBL PC cid PC sid UniChem		n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of dihydrofolate reductase in Candida albicans (in vitro).				Citation and Details
					More data for this Ligand-Target Pair
Aldehyde dehydrogenase family 1 member A3 (Homo sapiens (Human))	CHEMBL5283146 Show SMILES NS(=O)(=O)c1cc2ccc(O)cc2o1 Show InChI InChI=1S/C8H7NO4S/c9-14(11,12)8-3-5-1-2-6(10)4-7(5)13-8/h1-4,10H,(H2,9,11,12)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In vitro inhibition of human dihydrofolate reductase				Citation and Details
					More data for this Ligand-Target Pair
Aldehyde dehydrogenase family 1 member A3 (Homo sapiens (Human))	CHEMBL5285815 Show SMILES NS(=O)(=O)c1cc2ccccc2o1 Show InChI InChI=1S/C8H7NO3S/c9-13(10,11)8-5-6-3-1-2-4-7(6)12-8/h1-5H,(H2,9,10,11)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL CHEMBL MMDB PC cid PC sid PDB UniChem Similars		n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of mevalonate kinase				Citation and Details
					More data for this Ligand-Target Pair
Aldehyde dehydrogenase family 1 member A3 (Homo sapiens (Human))	CHEMBL5271934 Show SMILES CC(C)(C)C(=O)Oc1ccc2oc(cc2c1)S(N)(=O)=O Show InChI InChI=1S/C13H15NO5S/c1-13(2,3)12(15)18-9-4-5-10-8(6-9)7-11(19-10)20(14,16)17/h4-7H,1-3H3,(H2,14,16,17)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of squalene synthase				Citation and Details
					More data for this Ligand-Target Pair
Aldehyde dehydrogenase family 1 member A3 (Homo sapiens (Human))	CHEMBL5278448 Show SMILES NS(=O)(=O)c1cc2cc3OCOc3cc2[nH]1 Show InChI InChI=1S/C9H8N2O4S/c10-16(12,13)9-2-5-1-7-8(15-4-14-7)3-6(5)11-9/h1-3,11H,4H2,(H2,10,12,13)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL CHEMBL PC cid PC sid UniChem		n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Potency against histamine H1 receptor on guinea pig ileum				Citation and Details
					More data for this Ligand-Target Pair
Aldehyde dehydrogenase family 1 member A3 (Homo sapiens (Human))	CHEMBL5286018 Show SMILES CC(=O)Oc1ccc2cc(oc2c1)S(N)(=O)=O Show InChI InChI=1S/C10H9NO5S/c1-6(12)15-8-3-2-7-4-10(17(11,13)14)16-9(7)5-8/h2-5H,1H3,(H2,11,13,14)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Potency against histamine H1 receptor on guinea pig ileum				Citation and Details
					More data for this Ligand-Target Pair
Aldehyde dehydrogenase family 1 member A3 (Homo sapiens (Human))	CHEMBL5291299 Show SMILES NS(=O)(=O)c1cc2cc(O)ccc2[nH]1 Show InChI InChI=1S/C8H8N2O3S/c9-14(12,13)8-4-5-3-6(11)1-2-7(5)10-8/h1-4,10-11H,(H2,9,12,13)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Potency against histamine H1 receptor on guinea pig ileum				Citation and Details
					More data for this Ligand-Target Pair
Aldehyde dehydrogenase family 1 member A3 (Homo sapiens (Human))	CHEMBL5283146 Show SMILES NS(=O)(=O)c1cc2ccc(O)cc2o1 Show InChI InChI=1S/C8H7NO4S/c9-14(11,12)8-3-5-1-2-6(10)4-7(5)13-8/h1-4,10H,(H2,9,11,12)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Potency against histamine H1 receptor on guinea pig ileum				Citation and Details
					More data for this Ligand-Target Pair
Aldehyde dehydrogenase family 1 member A3 (Homo sapiens (Human))	CHEMBL5269320 Show SMILES COc1ccc2cc(n(c2c1)S(=O)(=O)c1ccccc1)S(N)(=O)=O Show InChI InChI=1S/C15H14N2O5S2/c1-22-12-8-7-11-9-15(23(16,18)19)17(14(11)10-12)24(20,21)13-5-3-2-4-6-13/h2-10H,1H3,(H2,16,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL CHEMBL PC cid PC sid UniChem		n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In vitro inhibition of human dihydrofolate reductase				Citation and Details
					More data for this Ligand-Target Pair
Aldehyde dehydrogenase family 1 member A3 (Homo sapiens (Human))	CHEMBL5285815 Show SMILES NS(=O)(=O)c1cc2ccccc2o1 Show InChI InChI=1S/C8H7NO3S/c9-13(10,11)8-5-6-3-1-2-4-7(6)12-8/h1-5H,(H2,9,10,11)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL CHEMBL MMDB PC cid PC sid PDB UniChem Similars		n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of dihydrofolate reductase in Candida albicans (in vitro).				Citation and Details
					More data for this Ligand-Target Pair
Aldehyde dehydrogenase family 1 member A3 (Homo sapiens (Human))	CHEMBL5271934 Show SMILES CC(C)(C)C(=O)Oc1ccc2oc(cc2c1)S(N)(=O)=O Show InChI InChI=1S/C13H15NO5S/c1-13(2,3)12(15)18-9-4-5-10-8(6-9)7-11(19-10)20(14,16)17/h4-7H,1-3H3,(H2,14,16,17)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In vitro inhibition of human dihydrofolate reductase				Citation and Details
					More data for this Ligand-Target Pair
Aldehyde dehydrogenase family 1 member A3 (Homo sapiens (Human))	CHEMBL5274968 Show SMILES NS(=O)(=O)c1cc2ccccc2[nH]1 Show InChI InChI=1S/C8H8N2O2S/c9-13(11,12)8-5-6-3-1-2-4-7(6)10-8/h1-5,10H,(H2,9,11,12)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of dihydrofolate reductase in Candida albicans (in vitro).				Citation and Details
					More data for this Ligand-Target Pair
Aldehyde dehydrogenase family 1 member A3 (Homo sapiens (Human))	CHEMBL5278448 Show SMILES NS(=O)(=O)c1cc2cc3OCOc3cc2[nH]1 Show InChI InChI=1S/C9H8N2O4S/c10-16(12,13)9-2-5-1-7-8(15-4-14-7)3-6(5)11-9/h1-3,11H,4H2,(H2,10,12,13)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL CHEMBL PC cid PC sid UniChem		n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of dihydrofolate reductase in Candida albicans (in vitro).				Citation and Details
					More data for this Ligand-Target Pair
Aldehyde dehydrogenase family 1 member A3 (Homo sapiens (Human))	CHEMBL5286018 Show SMILES CC(=O)Oc1ccc2cc(oc2c1)S(N)(=O)=O Show InChI InChI=1S/C10H9NO5S/c1-6(12)15-8-3-2-7-4-10(17(11,13)14)16-9(7)5-8/h2-5H,1H3,(H2,11,13,14)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of dihydrofolate reductase in Candida albicans (in vitro).				Citation and Details
					More data for this Ligand-Target Pair
Aldehyde dehydrogenase family 1 member A3 (Homo sapiens (Human))	CHEMBL5291299 Show SMILES NS(=O)(=O)c1cc2cc(O)ccc2[nH]1 Show InChI InChI=1S/C8H8N2O3S/c9-14(12,13)8-4-5-3-6(11)1-2-7(5)10-8/h1-4,10-11H,(H2,9,12,13)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In vitro inhibition of human dihydrofolate reductase				Citation and Details
					More data for this Ligand-Target Pair
Aldehyde dehydrogenase family 1 member A3 (Homo sapiens (Human))	BDBM50567383 (CHEMBL4847114) Show SMILES CC(Sc1nc2nn(cc2c(=O)n1-c1ccccc1)C1COC1)c1ccccc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	109	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ALDH1A3 assessed as NADH formation using propionaldehyde as substrate by spectrophotometery				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113060 BindingDB Entry DOI: 10.7270/Q2N58R5M
					More data for this Ligand-Target Pair
Aldehyde dehydrogenase family 1 member A3 (Homo sapiens (Human))	BDBM50567377 (CHEMBL4874309) Show SMILES COc1ccccc1C(C)Sc1nc2n(C)ncc2c(=O)n1-c1ccccc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	112	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ALDH1A3 assessed as NADH formation using propionaldehyde as substrate by spectrophotometery				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113060 BindingDB Entry DOI: 10.7270/Q2N58R5M
					More data for this Ligand-Target Pair
Aldehyde dehydrogenase family 1 member A3 (Homo sapiens (Human))	BDBM50567366 (CHEMBL4876076) Show SMILES CCC(Sc1nc2n(C)ncc2c(=O)n1-c1ccccc1)c1ccccc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	119	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ALDH1A3 assessed as NADH formation using propionaldehyde as substrate by spectrophotometery				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113060 BindingDB Entry DOI: 10.7270/Q2N58R5M
					More data for this Ligand-Target Pair
Aldehyde dehydrogenase family 1 member A3 (Homo sapiens (Human))	BDBM50459588 (CHEMBL4210115) Show SMILES Fc1cccc(CSc2nc3nn(cc3c(=O)n2-c2ccccc2)C2COC2)c1 Show InChI InChI=1S/C21H17FN4O2S/c22-15-6-4-5-14(9-15)13-29-21-23-19-18(10-25(24-19)17-11-28-12-17)20(27)26(21)16-7-2-1-3-8-16/h1-10,17H,11-13H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	120	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 recombinant ALDH1A3 assessed as reduction in of NAD(P)H formation incubated for 2 mins by spectrophotometry				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))	BDBM50459588 (CHEMBL4210115) Show SMILES Fc1cccc(CSc2nc3nn(cc3c(=O)n2-c2ccccc2)C2COC2)c1 Show InChI InChI=1S/C21H17FN4O2S/c22-15-6-4-5-14(9-15)13-29-21-23-19-18(10-25(24-19)17-11-28-12-17)20(27)26(21)16-7-2-1-3-8-16/h1-10,17H,11-13H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ALDH1A3 assessed as NADH formation using propionaldehyde as substrate by spectrophotometery				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113060 BindingDB Entry DOI: 10.7270/Q2N58R5M
					More data for this Ligand-Target Pair
Aldehyde dehydrogenase family 1 member A3 (Homo sapiens (Human))	BDBM50567361 (CHEMBL4862833) Show SMILES CC(Sc1nc2n(C)ncc2c(=O)n1-c1ccccc1)c1cccc(F)c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	128	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ALDH1A3 assessed as NADH formation using propionaldehyde as substrate by spectrophotometery				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113060 BindingDB Entry DOI: 10.7270/Q2N58R5M
					More data for this Ligand-Target Pair
Aldehyde dehydrogenase family 1 member A3 (Homo sapiens (Human))	BDBM50459613 (CHEMBL4214509) Show SMILES Cn1cc2c(n1)nc(SCc1cccc(F)c1)n(-c1ccccc1)c2=O Show InChI InChI=1S/C19H15FN4OS/c1-23-11-16-17(22-23)21-19(26-12-13-6-5-7-14(20)10-13)24(18(16)25)15-8-3-2-4-9-15/h2-11H,12H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 human recombinant ALDH1A3 assessed as reduction in of NAD(P)H formation incubated for 2 mins by spectrophotometry				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))	BDBM50459593 (CHEMBL4217452) Show SMILES Fc1cccc(CSc2nc3nn(CC4COC4)cc3c(=O)n2-c2ccccc2)c1 Show InChI InChI=1S/C22H19FN4O2S/c23-17-6-4-5-15(9-17)14-30-22-24-20-19(11-26(25-20)10-16-12-29-13-16)21(28)27(22)18-7-2-1-3-8-18/h1-9,11,16H,10,12-14H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 human recombinant ALDH1A3 assessed as reduction in of NAD(P)H formation incubated for 2 mins by spectrophotometry				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))	BDBM50567367 (CHEMBL4863668) Show SMILES CC(C)C(Sc1nc2n(C)ncc2c(=O)n1-c1ccccc1)c1ccccc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ALDH1A3 assessed as NADH formation using propionaldehyde as substrate by spectrophotometery				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113060 BindingDB Entry DOI: 10.7270/Q2N58R5M
					More data for this Ligand-Target Pair
Aldehyde dehydrogenase family 1 member A3 (Homo sapiens (Human))	BDBM50567352 (CHEMBL4873315) Show SMILES Cn1ncc2c1cc(SCc1cccc(F)c1)n(-c1ccccc1)c2=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ALDH1A3 assessed as NADH formation using propionaldehyde as substrate by spectrophotometery				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113060 BindingDB Entry DOI: 10.7270/Q2N58R5M
					More data for this Ligand-Target Pair
Aldehyde dehydrogenase family 1 member A3 (Homo sapiens (Human))	BDBM50567369 (CHEMBL4873090) Show SMILES Cn1ncc2c1c1C(=O)C(Sc1n(-c1ccccc1)c2=O)c1ccccc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ALDH1A3 assessed as NADH formation using propionaldehyde as substrate by spectrophotometery				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113060 BindingDB Entry DOI: 10.7270/Q2N58R5M
					More data for this Ligand-Target Pair
Aldehyde dehydrogenase family 1 member A3 (Homo sapiens (Human))	BDBM50459602 (CHEMBL4216790) Show SMILES Fc1cccc(CSc2nc3n(ncc3c(=O)n2-c2ccccc2)C2COC2)c1 Show InChI InChI=1S/C21H17FN4O2S/c22-15-6-4-5-14(9-15)13-29-21-24-19-18(10-23-26(19)17-11-28-12-17)20(27)25(21)16-7-2-1-3-8-16/h1-10,17H,11-13H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	170	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 recombinant ALDH1A3 assessed as reduction in of NAD(P)H formation incubated for 2 mins by spectrophotometry				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))	BDBM50459612 (CHEMBL4205216) Show SMILES Fc1cccc(CSc2nc3nn(CC4CC4)cc3c(=O)n2-c2ccccc2)c1 Show InChI InChI=1S/C22H19FN4OS/c23-17-6-4-5-16(11-17)14-29-22-24-20-19(13-26(25-20)12-15-9-10-15)21(28)27(22)18-7-2-1-3-8-18/h1-8,11,13,15H,9-10,12,14H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	170	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 recombinant ALDH1A3 assessed as reduction in of NAD(P)H formation incubated for 2 mins by spectrophotometry				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))	BDBM50236905 (CHEMBL1349972) Show SMILES Cc1oc2cc3oc(=O)c4CCCc4c3cc2c1C Show InChI InChI=1S/C16H14O3/c1-8-9(2)18-14-7-15-13(6-12(8)14)10-4-3-5-11(10)16(17)19-15/h6-7H,3-5H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	170	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 ALDH1A3 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 family 1 member A3 (Homo sapiens (Human))	BDBM50567378 (CHEMBL4846491) Show SMILES COc1cccc(c1)C(C)Sc1nc2n(C)ncc2c(=O)n1-c1ccccc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	174	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ALDH1A3 assessed as NADH formation using propionaldehyde as substrate by spectrophotometery				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113060 BindingDB Entry DOI: 10.7270/Q2N58R5M
					More data for this Ligand-Target Pair
Aldehyde dehydrogenase family 1 member A3 (Homo sapiens (Human))	BDBM50459599 (CHEMBL4213859) Show SMILES Cn1ncc2c1nc(SCc1cccc(F)c1)n(CCc1ccccc1)c2=O Show InChI InChI=1S/C21H19FN4OS/c1-25-19-18(13-23-25)20(27)26(11-10-15-6-3-2-4-7-15)21(24-19)28-14-16-8-5-9-17(22)12-16/h2-9,12-13H,10-11,14H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	180	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 recombinant ALDH1A3 assessed as reduction in of NAD(P)H formation incubated for 2 mins by spectrophotometry				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))	BDBM50567387 (CHEMBL4852411) Show SMILES CC(Sc1nc2n(C)ncc2c(=O)n1-c1ccc(cc1)C#N)c1ccccc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ALDH1A3 assessed as NADH formation using propionaldehyde as substrate by spectrophotometery				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113060 BindingDB Entry DOI: 10.7270/Q2N58R5M
					More data for this Ligand-Target Pair
Aldehyde dehydrogenase family 1 member A3 (Homo sapiens (Human))	BDBM50567371 (CHEMBL4868666) Show SMILES Cn1ncc2c1c1C=CC(Sc1n(-c1ccccc1)c2=O)c1ccccc1 |c:8| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ALDH1A3 assessed as NADH formation using propionaldehyde as substrate by spectrophotometery				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113060 BindingDB Entry DOI: 10.7270/Q2N58R5M
					More data for this Ligand-Target Pair
Aldehyde dehydrogenase family 1 member A3 (Homo sapiens (Human))	BDBM50567385 (CHEMBL4846203) Show SMILES CC(Sc1nc2nn(cc2c(=O)n1-c1ccccc1)C1COC1)c1cccnc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ALDH1A3 assessed as NADH formation using propionaldehyde as substrate by spectrophotometery				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113060 BindingDB Entry DOI: 10.7270/Q2N58R5M
					More data for this Ligand-Target Pair
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	n/a	n/a	260	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
					More data for this Ligand-Target Pair
Aldehyde dehydrogenase family 1 member A3 (Homo sapiens (Human))	BDBM50236900 (CHEMBL4072941) Show SMILES Cc1oc2cc3oc(=O)c(C)c(C)c3cc2c1C Show InChI InChI=1S/C15H14O3/c1-7-8(2)15(16)18-14-6-13-12(5-11(7)14)9(3)10(4)17-13/h5-6H,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description In vitro for its ability to displace [3H]- SCH 23390 from Dopamine receptor D1 in bovine striatal membrane expressed in CHO cells				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 family 1 member A3 (Homo sapiens (Human))	BDBM69358 (3-nitro-4-(1-pyrrolidinyl)benzaldehyde | 3-nitro-4...) Show SMILES [O-][N+](=O)c1cc(C=O)ccc1N1CCCC1 Show InChI InChI=1S/C11H12N2O3/c14-8-9-3-4-10(11(7-9)13(15)16)12-5-1-2-6-12/h3-4,7-8H,1-2,5-6H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	270	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
					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	n/a	n/a	300	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
					More data for this Ligand-Target Pair
Aldehyde dehydrogenase family 1 member A3 (Homo sapiens (Human))	BDBM50585952 (CHEMBL5090970) Show SMILES Clc1cc(C=O)ccc1N1CCCC1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	310	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
					More data for this Ligand-Target Pair

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