Compile Data Set for Download or QSAR

Found 106 hits with Last Name = 'mcgonigal' and Initial = 'sc'   

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
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
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
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
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
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
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))	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
Aldehyde dehydrogenase 1A1 (Homo sapiens (Human))	BDBM50567384 (CHEMBL4849586) Show SMILES CC(Sc1nc2nn(cc2c(=O)n1-c1ccccc1)C1COC1)c1ccccn1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ALDH1A1 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 1A1 (Homo sapiens (Human))	BDBM50567363 (CHEMBL4876602) Show SMILES C[C@@H](Sc1nc2n(C)ncc2c(=O)n1-c1ccccc1)c1ccccc1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ALDH1A1 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				3D Structure (crystal)
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 1A1 (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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 ALDH1A1 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 1A1 (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB 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 ALDH1A1 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				3D Structure (crystal)
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
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
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
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))	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 1A1 (Homo sapiens (Human))	BDBM50567386 (CHEMBL4861872) Show SMILES CC(Sc1nc2nn(cc2c(=O)n1-c1ccccc1)C1(C)COC1)c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ALDH1A1 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 1A1 (Homo sapiens (Human))	BDBM50567374 (CHEMBL4849624) Show SMILES CC(Sc1nc2n(C)ncc2c(=O)n1-c1ccccc1)c1cncnc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	94	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ALDH1A1 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
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
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 1A1 (Homo sapiens (Human))	BDBM50567382 (CHEMBL4859904) Show SMILES CC(Sc1nc2nn(CC3COC3)cc2c(=O)n1-c1ccccc1)c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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 ALDH1A1 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))	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
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 1A1 (Homo sapiens (Human))	BDBM50567383 (CHEMBL4847114) Show SMILES CC(Sc1nc2nn(cc2c(=O)n1-c1ccccc1)C1COC1)c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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 ALDH1A1 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
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 1A1 (Homo sapiens (Human))	BDBM50567385 (CHEMBL4846203) Show SMILES CC(Sc1nc2nn(cc2c(=O)n1-c1ccccc1)C1COC1)c1cccnc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	118	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ALDH1A1 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
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 1A1 (Homo sapiens (Human))	BDBM50567362 (CHEMBL4848258) Show SMILES CC(Sc1nc2n(C)ncc2c(=O)n1-c1ccccc1)c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB 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 ALDH1A1 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				3D Structure (crystal)
Aldehyde dehydrogenase 1A1 (Homo sapiens (Human))	BDBM50567376 (CHEMBL4848831) Show SMILES CC(Sc1nc2n(C)ncc2c(=O)n1-c1ccccc1)c1cccc(O)c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB 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 ALDH1A1 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				3D Structure (crystal)
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
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
Aldehyde dehydrogenase 1A1 (Homo sapiens (Human))	BDBM50567373 (CHEMBL4855442) Show SMILES CC(Sc1nc2n(C)ncc2c(=O)n1-c1ccccc1)c1cccnc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	139	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ALDH1A1 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
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
Aldehyde dehydrogenase 1A1 (Homo sapiens (Human))	BDBM50567366 (CHEMBL4876076) Show SMILES CCC(Sc1nc2n(C)ncc2c(=O)n1-c1ccccc1)c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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 ALDH1A1 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 1A1 (Homo sapiens (Human))	BDBM50567361 (CHEMBL4862833) Show SMILES CC(Sc1nc2n(C)ncc2c(=O)n1-c1ccccc1)c1cccc(F)c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	151	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ALDH1A1 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
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
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
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 1A1 (Homo sapiens (Human))	BDBM50567370 (CHEMBL4860590) Show SMILES Cn1ncc2c1c1C(=O)CC(Sc1n(-c1ccccc1)c2=O)c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	206	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ALDH1A1 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

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