Compile Data Set for Download or QSAR

Found 19 hits Enz. Inhib. hit(s) with Target = 'All-trans-retinol dehydrogenase [NAD(+)] ADH4'   

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
All-trans-retinol dehydrogenase [NAD(+)] ADH4 (Homo sapiens (Human))	BDBM50064270 (CHEMBL291214 | N-Cyclohexylmethyl-formamide) Show SMILES O=CNCC1CCCCC1 Show InChI InChI=1S/C8H15NO/c10-7-9-6-8-4-2-1-3-5-8/h7-8H,1-6H2,(H,9,10)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	7.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Iowa Curated by ChEMBL					Assay Description Inhibition of human alcohol dehydrogenase pi activity				J Med Chem 41: 1696-701 (1998) Article DOI: 10.1021/jm9707380 BindingDB Entry DOI: 10.7270/Q2VM4BC5
					More data for this Ligand-Target Pair
All-trans-retinol dehydrogenase [NAD(+)] ADH4 (Homo sapiens (Human))	BDBM50064266 (CHEMBL43719 | HEPTYLFORMAMIDE | N-Heptyl-formamide) Show SMILES CCCCCCCNC=O Show InChI InChI=1S/C8H17NO/c1-2-3-4-5-6-7-9-8-10/h8H,2-7H2,1H3,(H,9,10)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Iowa Curated by ChEMBL					Assay Description Inhibition of human alcohol dehydrogenase pi activity				J Med Chem 41: 1696-701 (1998) Article DOI: 10.1021/jm9707380 BindingDB Entry DOI: 10.7270/Q2VM4BC5
					More data for this Ligand-Target Pair
All-trans-retinol dehydrogenase [NAD(+)] ADH4 (Homo sapiens (Human))	BDBM50064287 (CHEMBL46655 | N-Cyclopropyl-N-heptyl-formamide) Show SMILES CCCCCCCN(C=O)C1CC1 Show InChI InChI=1S/C11H21NO/c1-2-3-4-5-6-9-12(10-13)11-7-8-11/h10-11H,2-9H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Iowa Curated by ChEMBL					Assay Description Inhibition of human alcohol dehydrogenase pi activity				J Med Chem 41: 1696-701 (1998) Article DOI: 10.1021/jm9707380 BindingDB Entry DOI: 10.7270/Q2VM4BC5
					More data for this Ligand-Target Pair
All-trans-retinol dehydrogenase [NAD(+)] ADH4 (Homo sapiens (Human))	BDBM50064274 (CHEMBL48122 | N-(1-Methyl-heptyl)-formamide) Show SMILES CCCCCCC(C)NC=O Show InChI InChI=1S/C9H19NO/c1-3-4-5-6-7-9(2)10-8-11/h8-9H,3-7H2,1-2H3,(H,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Iowa Curated by ChEMBL					Assay Description Inhibition of human alcohol dehydrogenase pi activity				J Med Chem 41: 1696-701 (1998) Article DOI: 10.1021/jm9707380 BindingDB Entry DOI: 10.7270/Q2VM4BC5
					More data for this Ligand-Target Pair
All-trans-retinol dehydrogenase [NAD(+)] ADH4 (Homo sapiens (Human))	BDBM50064278 (CHEMBL46778 | N-Cyclohexylformamid | N-Zyklohexylf...) Show SMILES O=CNC1CCCCC1 Show InChI InChI=1S/C7H13NO/c9-6-8-7-4-2-1-3-5-7/h6-7H,1-5H2,(H,8,9)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	8.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Iowa Curated by ChEMBL					Assay Description Inhibition of human alcohol dehydrogenase pi activity				J Med Chem 41: 1696-701 (1998) Article DOI: 10.1021/jm9707380 BindingDB Entry DOI: 10.7270/Q2VM4BC5
					More data for this Ligand-Target Pair
All-trans-retinol dehydrogenase [NAD(+)] ADH4 (Homo sapiens (Human))	BDBM50064271 (CHEMBL45704 | N-Cyclopentyl-N-cyclopropyl-formamid...) Show SMILES O=CN(C1CC1)C1CCCC1 Show InChI InChI=1S/C9H15NO/c11-7-10(9-5-6-9)8-3-1-2-4-8/h7-9H,1-6H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Iowa Curated by ChEMBL					Assay Description Inhibition of human alcohol dehydrogenase pi activity				J Med Chem 41: 1696-701 (1998) Article DOI: 10.1021/jm9707380 BindingDB Entry DOI: 10.7270/Q2VM4BC5
					More data for this Ligand-Target Pair
All-trans-retinol dehydrogenase [NAD(+)] ADH4 (Homo sapiens (Human))	BDBM50064288 (CHEMBL46293 | N-(phenylmethyl)formamide | N-BENZYL...) Show SMILES O=CNCc1ccccc1 Show InChI InChI=1S/C8H9NO/c10-7-9-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,9,10)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	1.10E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Iowa Curated by ChEMBL					Assay Description Inhibition of human alcohol dehydrogenase pi activity				J Med Chem 41: 1696-701 (1998) Article DOI: 10.1021/jm9707380 BindingDB Entry DOI: 10.7270/Q2VM4BC5
					More data for this Ligand-Target Pair
All-trans-retinol dehydrogenase [NAD(+)] ADH4 (Homo sapiens (Human))	BDBM50064269 (CHEMBL45466 | N-Butyl-formamide) Show SMILES CCCCNC=O Show InChI InChI=1S/C5H11NO/c1-2-3-4-6-5-7/h5H,2-4H2,1H3,(H,6,7)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.10E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Iowa Curated by ChEMBL					Assay Description Inhibition of human alcohol dehydrogenase pi activity				J Med Chem 41: 1696-701 (1998) Article DOI: 10.1021/jm9707380 BindingDB Entry DOI: 10.7270/Q2VM4BC5
					More data for this Ligand-Target Pair
All-trans-retinol dehydrogenase [NAD(+)] ADH4 (Homo sapiens (Human))	BDBM50064277 (CHEMBL45705 | N-Cyclohexyl-N-methyl-formamide) Show SMILES CN(C=O)C1CCCCC1 Show InChI InChI=1S/C8H15NO/c1-9(7-10)8-5-3-2-4-6-8/h7-8H,2-6H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.20E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Iowa Curated by ChEMBL					Assay Description Inhibition of human alcohol dehydrogenase pi activity				J Med Chem 41: 1696-701 (1998) Article DOI: 10.1021/jm9707380 BindingDB Entry DOI: 10.7270/Q2VM4BC5
					More data for this Ligand-Target Pair
All-trans-retinol dehydrogenase [NAD(+)] ADH4 (Homo sapiens (Human))	BDBM50064280 (CHEMBL295789 | N-Cyclopentyl-formamide) Show SMILES O=CNC1CCCC1 Show InChI InChI=1S/C6H11NO/c8-5-7-6-3-1-2-4-6/h5-6H,1-4H2,(H,7,8)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Iowa Curated by ChEMBL					Assay Description Inhibition of human alcohol dehydrogenase pi activity				J Med Chem 41: 1696-701 (1998) Article DOI: 10.1021/jm9707380 BindingDB Entry DOI: 10.7270/Q2VM4BC5
					More data for this Ligand-Target Pair
All-trans-retinol dehydrogenase [NAD(+)] ADH4 (Homo sapiens (Human))	BDBM50064268 (CHEMBL44630 | N-Cyclohexyl-N-isopropyl-formamide) Show SMILES CC(C)N(C=O)C1CCCCC1 Show InChI InChI=1S/C10H19NO/c1-9(2)11(8-12)10-6-4-3-5-7-10/h8-10H,3-7H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Iowa Curated by ChEMBL					Assay Description Inhibition of human alcohol dehydrogenase pi activity				J Med Chem 41: 1696-701 (1998) Article DOI: 10.1021/jm9707380 BindingDB Entry DOI: 10.7270/Q2VM4BC5
					More data for this Ligand-Target Pair
All-trans-retinol dehydrogenase [NAD(+)] ADH4 (Homo sapiens (Human))	BDBM50064282 (CHEMBL300291 | N-Cyclopentyl-N-propyl-formamide) Show SMILES CCCN(C=O)C1CCCC1 Show InChI InChI=1S/C9H17NO/c1-2-7-10(8-11)9-5-3-4-6-9/h8-9H,2-7H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.91E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Iowa Curated by ChEMBL					Assay Description Inhibition of human alcohol dehydrogenase pi activity				J Med Chem 41: 1696-701 (1998) Article DOI: 10.1021/jm9707380 BindingDB Entry DOI: 10.7270/Q2VM4BC5
					More data for this Ligand-Target Pair
All-trans-retinol dehydrogenase [NAD(+)] ADH4 (Homo sapiens (Human))	BDBM50064267 (CHEMBL297125 | N,N-Dicyclobutyl-formamide) Show SMILES O=CN(C1CCC1)C1CCC1 Show InChI InChI=1S/C9H15NO/c11-7-10(8-3-1-4-8)9-5-2-6-9/h7-9H,1-6H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Iowa Curated by ChEMBL					Assay Description Inhibition of human alcohol dehydrogenase pi activity				J Med Chem 41: 1696-701 (1998) Article DOI: 10.1021/jm9707380 BindingDB Entry DOI: 10.7270/Q2VM4BC5
					More data for this Ligand-Target Pair
All-trans-retinol dehydrogenase [NAD(+)] ADH4 (Homo sapiens (Human))	BDBM50064275 (CHEMBL297216 | N-Propyl-formamide) Show SMILES CCCNC=O Show InChI InChI=1S/C4H9NO/c1-2-3-5-4-6/h4H,2-3H2,1H3,(H,5,6)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Iowa Curated by ChEMBL					Assay Description Inhibition of human alcohol dehydrogenase pi activity				J Med Chem 41: 1696-701 (1998) Article DOI: 10.1021/jm9707380 BindingDB Entry DOI: 10.7270/Q2VM4BC5
					More data for this Ligand-Target Pair
All-trans-retinol dehydrogenase [NAD(+)] ADH4 (Homo sapiens (Human))	BDBM50064279 (CHEMBL299094 | N-Isobutyl-formamide) Show SMILES CC(C)CNC=O Show InChI InChI=1S/C5H11NO/c1-5(2)3-6-4-7/h4-5H,3H2,1-2H3,(H,6,7)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	3.40E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Iowa Curated by ChEMBL					Assay Description Inhibition of human alcohol dehydrogenase pi activity				J Med Chem 41: 1696-701 (1998) Article DOI: 10.1021/jm9707380 BindingDB Entry DOI: 10.7270/Q2VM4BC5
					More data for this Ligand-Target Pair
All-trans-retinol dehydrogenase [NAD(+)] ADH4 (Homo sapiens (Human))	BDBM50064286 (CHEMBL45844 | CYCLOBUTYL(CYCLOPENTYL)FORMAMIDE | N...) Show SMILES O=CN(C1CCC1)C1CCCC1 Show InChI InChI=1S/C10H17NO/c12-8-11(10-6-3-7-10)9-4-1-2-5-9/h8-10H,1-7H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	3.60E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Iowa Curated by ChEMBL					Assay Description Inhibition of human alcohol dehydrogenase pi activity				J Med Chem 41: 1696-701 (1998) Article DOI: 10.1021/jm9707380 BindingDB Entry DOI: 10.7270/Q2VM4BC5
					More data for this Ligand-Target Pair
All-trans-retinol dehydrogenase [NAD(+)] ADH4 (Homo sapiens (Human))	BDBM50064283 (CHEMBL49774 | N-Cyclobutyl-formamide) Show SMILES O=CNC1CCC1 Show InChI InChI=1S/C5H9NO/c7-4-6-5-2-1-3-5/h4-5H,1-3H2,(H,6,7)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	4.50E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Iowa Curated by ChEMBL					Assay Description Inhibition of human alcohol dehydrogenase pi activity				J Med Chem 41: 1696-701 (1998) Article DOI: 10.1021/jm9707380 BindingDB Entry DOI: 10.7270/Q2VM4BC5
					More data for this Ligand-Target Pair
All-trans-retinol dehydrogenase [NAD(+)] ADH4 (Homo sapiens (Human))	BDBM50064272 (CHEMBL296027 | N-Isopropyl-formamide) Show SMILES CC(C)NC=O Show InChI InChI=1S/C4H9NO/c1-4(2)5-3-6/h3-4H,1-2H3,(H,5,6)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents	Article PubMed	1.90E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Iowa Curated by ChEMBL					Assay Description Inhibition of human alcohol dehydrogenase pi activity				J Med Chem 41: 1696-701 (1998) Article DOI: 10.1021/jm9707380 BindingDB Entry DOI: 10.7270/Q2VM4BC5
					More data for this Ligand-Target Pair
All-trans-retinol dehydrogenase [NAD(+)] ADH4 (Homo sapiens (Human))	BDBM50064284 (CHEMBL49963 | N-Cyclopropyl-formamide) Show SMILES O=CNC1CC1 Show InChI InChI=1S/C4H7NO/c6-3-5-4-1-2-4/h3-4H,1-2H2,(H,5,6)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	5.20E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Iowa Curated by ChEMBL					Assay Description Inhibition of human alcohol dehydrogenase pi activity				J Med Chem 41: 1696-701 (1998) Article DOI: 10.1021/jm9707380 BindingDB Entry DOI: 10.7270/Q2VM4BC5
					More data for this Ligand-Target Pair