Compile Data Set for Download or QSAR

Found 87 hits of ic50 data for polymerid = 50006844   

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
Retinal dehydrogenase 2 (Homo sapiens (Human))	BDBM50567384 (CHEMBL4849586) Show SMILES CC(Sc1nc2nn(cc2c(=O)n1-c1ccccc1)C1COC1)c1ccccn1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ALDH1A2 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
Retinal dehydrogenase 2 (Homo sapiens (Human))	BDBM50567363 (CHEMBL4876602) Show SMILES C[C@@H](Sc1nc2n(C)ncc2c(=O)n1-c1ccccc1)c1ccccc1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ALDH1A2 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
Retinal dehydrogenase 2 (Homo sapiens (Human))	BDBM50567385 (CHEMBL4846203) Show SMILES CC(Sc1nc2nn(cc2c(=O)n1-c1ccccc1)C1COC1)c1cccnc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ALDH1A2 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
Retinal dehydrogenase 2 (Homo sapiens (Human))	BDBM50567372 (CHEMBL4875157) Show SMILES CC(Sc1nc2n(C)ncc2c(=O)n1-c1ccccc1)c1ccccn1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ALDH1A2 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
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
Retinal dehydrogenase 2 (Homo sapiens (Human))	BDBM50567383 (CHEMBL4847114) Show SMILES CC(Sc1nc2nn(cc2c(=O)n1-c1ccccc1)C1COC1)c1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ALDH1A2 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
Retinal dehydrogenase 2 (Homo sapiens (Human))	BDBM50236908 (CHEMBL1562069) Show SMILES CCCc1cc(=O)oc2cc3oc(C)c(C)c3cc12 Show InChI InChI=1S/C16H16O3/c1-4-5-11-6-16(17)19-15-8-14-12(7-13(11)15)9(2)10(3)18-14/h6-8H,4-5H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	69	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
Retinal dehydrogenase 2 (Homo sapiens (Human))	BDBM50567382 (CHEMBL4859904) Show SMILES CC(Sc1nc2nn(CC3COC3)cc2c(=O)n1-c1ccccc1)c1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ALDH1A2 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
Retinal dehydrogenase 2 (Homo sapiens (Human))	BDBM50567373 (CHEMBL4855442) Show SMILES CC(Sc1nc2n(C)ncc2c(=O)n1-c1ccccc1)c1cccnc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid 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 ALDH1A2 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
Retinal dehydrogenase 2 (Homo sapiens (Human))	BDBM50567376 (CHEMBL4848831) Show SMILES CC(Sc1nc2n(C)ncc2c(=O)n1-c1ccccc1)c1cccc(O)c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB 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 ALDH1A2 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
Retinal dehydrogenase 2 (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 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
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Retinal dehydrogenase 2 (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 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 dihydrofolate reductase in Candida albicans (in vitro).				Citation and Details
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Retinal dehydrogenase 2 (Homo sapiens (Human))	BDBM50567378 (CHEMBL4846491) Show SMILES COc1cccc(c1)C(C)Sc1nc2n(C)ncc2c(=O)n1-c1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	108	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ALDH1A2 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
Retinal dehydrogenase 2 (Homo sapiens (Human))	BDBM50567362 (CHEMBL4848258) Show SMILES CC(Sc1nc2n(C)ncc2c(=O)n1-c1ccccc1)c1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ALDH1A2 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
Retinal dehydrogenase 2 (Homo sapiens (Human))	BDBM50567361 (CHEMBL4862833) Show SMILES CC(Sc1nc2n(C)ncc2c(=O)n1-c1ccccc1)c1cccc(F)c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ALDH1A2 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
Retinal dehydrogenase 2 (Homo sapiens (Human))	BDBM50567386 (CHEMBL4861872) Show SMILES CC(Sc1nc2nn(cc2c(=O)n1-c1ccccc1)C1(C)COC1)c1ccccc1 Show InChI	PDB UniProtKB/SwissProt 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 ALDH1A2 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
Retinal dehydrogenase 2 (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 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 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
Retinal dehydrogenase 2 (Homo sapiens (Human))	BDBM50567377 (CHEMBL4874309) Show SMILES COc1ccccc1C(C)Sc1nc2n(C)ncc2c(=O)n1-c1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	136	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ALDH1A2 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
Retinal dehydrogenase 2 (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 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
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of human recombinant ALDH1A2 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
Retinal dehydrogenase 2 (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 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 ALDH1A2 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
Retinal dehydrogenase 2 (Homo sapiens (Human))	BDBM50567369 (CHEMBL4873090) Show SMILES Cn1ncc2c1c1C(=O)C(Sc1n(-c1ccccc1)c2=O)c1ccccc1 Show InChI	PDB UniProtKB/SwissProt 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
TBA					Assay Description Inhibition of human ALDH1A2 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
Retinal dehydrogenase 2 (Homo sapiens (Human))	BDBM50567366 (CHEMBL4876076) Show SMILES CCC(Sc1nc2n(C)ncc2c(=O)n1-c1ccccc1)c1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	179	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ALDH1A2 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
Retinal dehydrogenase 2 (Homo sapiens (Human))	BDBM50466622 (CHEMBL4286209) Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(=O)C(Cl)Cl |c:4| Show InChI InChI=1S/C21H28Cl2O/c1-15(8-6-9-16(2)14-19(24)20(22)23)11-12-18-17(3)10-7-13-21(18,4)5/h6,8-9,11-12,14,20H,7,10,13H2,1-5H3/b9-6+,12-11+,15-8+,16-14+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	191	n/a	n/a	n/a	n/a	n/a	n/a
University of Oklahoma Health Sciences Center Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged recombinant human RALDH2 using RAL as substrate preincubated for 20 mins followed by substrate addition and meas...				Bioorg Med Chem 26: 5766-5779 (2018) Article DOI: 10.1016/j.bmc.2018.10.009 BindingDB Entry DOI: 10.7270/Q2FB55M4
					More data for this Ligand-Target Pair
Retinal dehydrogenase 2 (Homo sapiens (Human))	BDBM50567381 (CHEMBL4867380) Show SMILES CC(Sc1nc2n(C)ncc2c(=O)n1-c1ccc(CCO)cc1)c1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	216	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ALDH1A2 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
Retinal dehydrogenase 2 (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 GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	230	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 ALDH1A2 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
Retinal dehydrogenase 2 (Homo sapiens (Human))	BDBM50567352 (CHEMBL4873315) Show SMILES Cn1ncc2c1cc(SCc1cccc(F)c1)n(-c1ccccc1)c2=O Show InChI	PDB UniProtKB/SwissProt 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 ALDH1A2 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
Retinal dehydrogenase 2 (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 GoogleScholar AffyNet	PC cid PC sid PDB 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 ALDH1A2 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
Retinal dehydrogenase 2 (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 GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	250	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 ALDH1A2 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
Retinal dehydrogenase 2 (Homo sapiens (Human))	BDBM50567371 (CHEMBL4868666) Show SMILES Cn1ncc2c1c1C=CC(Sc1n(-c1ccccc1)c2=O)c1ccccc1 |c:8| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ALDH1A2 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
Retinal dehydrogenase 2 (Homo sapiens (Human))	BDBM50236899 (CHEMBL4099822) Show SMILES CCCc1c(C)c2cc3c(C)c(C)oc3cc2oc1=O Show InChI InChI=1S/C17H18O3/c1-5-6-12-10(3)14-7-13-9(2)11(4)19-15(13)8-16(14)20-17(12)18/h7-8H,5-6H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	300	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
Retinal dehydrogenase 2 (Homo sapiens (Human))	BDBM50567367 (CHEMBL4863668) Show SMILES CC(C)C(Sc1nc2n(C)ncc2c(=O)n1-c1ccccc1)c1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	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 human ALDH1A2 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
Retinal dehydrogenase 2 (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 GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	330	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
Retinal dehydrogenase 2 (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 GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	340	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 ALDH1A2 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
Retinal dehydrogenase 2 (Homo sapiens (Human))	BDBM50567374 (CHEMBL4849624) Show SMILES CC(Sc1nc2n(C)ncc2c(=O)n1-c1ccccc1)c1cncnc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ALDH1A2 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
Retinal dehydrogenase 2 (Homo sapiens (Human))	BDBM50567370 (CHEMBL4860590) Show SMILES Cn1ncc2c1c1C(=O)CC(Sc1n(-c1ccccc1)c2=O)c1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ALDH1A2 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
Retinal dehydrogenase 2 (Homo sapiens (Human))	BDBM50567359 (CHEMBL4848961) Show SMILES Cn1ncc2c1nc(\C=C\c1cccc(F)c1)n(-c1ccccc1)c2=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ALDH1A2 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
Retinal dehydrogenase 2 (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 GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	480	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 ALDH1A2 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
Retinal dehydrogenase 2 (Homo sapiens (Human))	BDBM50459595 (CHEMBL4210318) Show SMILES Cn1ncc2c1nc(SCc1cccc(F)c1)n(-c1cccc(Cl)c1)c2=O Show InChI InChI=1S/C19H14ClFN4OS/c1-24-17-16(10-22-24)18(26)25(15-7-3-5-13(20)9-15)19(23-17)27-11-12-4-2-6-14(21)8-12/h2-10H,11H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	560	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 ALDH1A2 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
Retinal dehydrogenase 2 (Homo sapiens (Human))	BDBM50567380 (CHEMBL4866017) Show SMILES CC(Sc1nc2n(C)ncc2c(=O)n1-c1ccc(CO)cc1)c1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ALDH1A2 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
Retinal dehydrogenase 2 (Homo sapiens (Human))	BDBM50459586 (CHEMBL4217294) Show SMILES Fc1cccc(CSc2nc3[nH]ncc3c(=O)n2-c2ccccc2)c1 Show InChI InChI=1S/C18H13FN4OS/c19-13-6-4-5-12(9-13)11-25-18-21-16-15(10-20-22-16)17(24)23(18)14-7-2-1-3-8-14/h1-10H,11H2,(H,20,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	670	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 ALDH1A2 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
Retinal dehydrogenase 2 (Homo sapiens (Human))	BDBM50459591 (CHEMBL4209261) Show SMILES Cn1ncc2c1nc(SCc1cccc(F)c1)n(Cc1ccccc1)c2=O Show InChI InChI=1S/C20H17FN4OS/c1-24-18-17(11-22-24)19(26)25(12-14-6-3-2-4-7-14)20(23-18)27-13-15-8-5-9-16(21)10-15/h2-11H,12-13H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	720	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 ALDH1A2 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
Retinal dehydrogenase 2 (Homo sapiens (Human))	BDBM50236896 (CHEMBL4064364) Show SMILES CCCc1c(C)c2cc3c(C)coc3cc2oc1=O Show InChI InChI=1S/C16H16O3/c1-4-5-11-10(3)13-6-12-9(2)8-18-14(12)7-15(13)19-16(11)17/h6-8H,4-5H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	760	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]- spiperone from cloned human dopamine D2 long receptor expressed in CHO cells; high binding affinity				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))	BDBM50567388 (CHEMBL4877915) Show SMILES CC(Sc1nc2n(C)ncc2c(=O)n1-c1ccc(cc1)C#C)c1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ALDH1A2 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
Retinal dehydrogenase 2 (Homo sapiens (Human))	BDBM50567353 (CHEMBL4865571) Show SMILES Cn1ccc2c1nc(SCc1cccc(F)c1)n(-c1ccccc1)c2=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	810	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ALDH1A2 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
Retinal dehydrogenase 2 (Homo sapiens (Human))	BDBM50572094 (CHEMBL4871374) Show SMILES Clc1cccc(Cn2c(CN3CCN(CC3)C(=O)C3CC3)nc3ccccc23)c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	890	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ALDH1A2 assessed as NADH formation using propionaldehyde as substrate by spectrophotometry				Citation and Details Article DOI: 10.1016/j.bmc.2021.116352 BindingDB Entry DOI: 10.7270/Q2F47SX9
					More data for this Ligand-Target Pair
Retinal dehydrogenase 2 (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 GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	900	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 ALDH1A2 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
Retinal dehydrogenase 2 (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 GoogleScholar AffyNet	CHEMBL CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	1.00E+3	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
Retinal dehydrogenase 2 (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 GoogleScholar AffyNet	Purchase CHEMBL CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	1.00E+3	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
Retinal dehydrogenase 2 (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 GoogleScholar AffyNet	Purchase CHEMBL CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	1.00E+3	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
Retinal dehydrogenase 2 (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 GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+3	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 ALDH1A2 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

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