Compile Data Set for Download or QSAR

Found 58 hits with Last Name = 'sehested' and Initial = 'm'   

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
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM50443803 (CHEMBL3094250) Show SMILES O=C(CCCCCCNC(NC#N)=Nc1ccncc1)N(OCCN1CCOCC1)C1CCCCC1 |w:13.13| Show InChI InChI=1S/C26H41N7O3/c27-22-30-26(31-23-11-14-28-15-12-23)29-13-7-2-1-6-10-25(34)33(24-8-4-3-5-9-24)36-21-18-32-16-19-35-20-17-32/h11-12,14-15,24H,1-10,13,16-21H2,(H2,28,29,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Topotarget A/S Curated by ChEMBL					Assay Description Inhibition of NAMPT in human HepG2 cells using [14C]-nicotinamide/PRPP as substrate assessed as formation of [14C]-nicotinamide mononucleotide after ...				J Med Chem 56: 9071-88 (2013) Article DOI: 10.1021/jm4009949 BindingDB Entry DOI: 10.7270/Q2CV4K6W
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM50443800 (CHEMBL3094255) Show SMILES O=S(=O)(CCCCCCNC(NC#N)=Nc1ccncc1)N(OCCN1CCOCC1)C1CCCCC1 |w:14.14| Show InChI InChI=1S/C25H41N7O4S/c26-22-29-25(30-23-10-13-27-14-11-23)28-12-6-1-2-7-21-37(33,34)32(24-8-4-3-5-9-24)36-20-17-31-15-18-35-19-16-31/h10-11,13-14,24H,1-9,12,15-21H2,(H2,27,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Topotarget A/S Curated by ChEMBL					Assay Description Inhibition of NAMPT in human HepG2 cells using [14C]-nicotinamide/PRPP as substrate assessed as formation of [14C]-nicotinamide mononucleotide after ...				J Med Chem 56: 9071-88 (2013) Article DOI: 10.1021/jm4009949 BindingDB Entry DOI: 10.7270/Q2CV4K6W
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50268097 (6-{[2-(9H-Fluoren-9-yliden)acetyl]amino}-N-hydroxy...) Show SMILES [#8]-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)\[#6]=[#6]-1\c2ccccc2-c2ccccc-12 Show InChI InChI=1S/C21H22N2O3/c24-20(23-26)12-2-1-7-13-22-21(25)14-19-17-10-5-3-8-15(17)16-9-4-6-11-18(16)19/h3-6,8-11,14,26H,1-2,7,12-13H2,(H,22,25)(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC2				Eur J Med Chem 44: 1067-85 (2009) Article DOI: 10.1016/j.ejmech.2008.06.020 BindingDB Entry DOI: 10.7270/Q2BG2NTX
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM50443805 (CHEMBL3094249) Show SMILES O=C(CCCCCCNC(NC#N)=Nc1ccncc1)NOC1CCCCC1 |w:13.13| Show InChI InChI=1S/C20H30N6O2/c21-16-24-20(25-17-11-14-22-15-12-17)23-13-7-2-1-6-10-19(27)26-28-18-8-4-3-5-9-18/h11-12,14-15,18H,1-10,13H2,(H,26,27)(H2,22,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Topotarget A/S Curated by ChEMBL					Assay Description Inhibition of NAMPT in human HepG2 cells using [14C]-nicotinamide/PRPP as substrate assessed as formation of [14C]-nicotinamide mononucleotide after ...				J Med Chem 56: 9071-88 (2013) Article DOI: 10.1021/jm4009949 BindingDB Entry DOI: 10.7270/Q2CV4K6W
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50268097 (6-{[2-(9H-Fluoren-9-yliden)acetyl]amino}-N-hydroxy...) Show SMILES [#8]-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)\[#6]=[#6]-1\c2ccccc2-c2ccccc-12 Show InChI InChI=1S/C21H22N2O3/c24-20(23-26)12-2-1-7-13-22-21(25)14-19-17-10-5-3-8-15(17)16-9-4-6-11-18(16)19/h3-6,8-11,14,26H,1-2,7,12-13H2,(H,22,25)(H,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC4				Eur J Med Chem 44: 1067-85 (2009) Article DOI: 10.1016/j.ejmech.2008.06.020 BindingDB Entry DOI: 10.7270/Q2BG2NTX
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50268097 (6-{[2-(9H-Fluoren-9-yliden)acetyl]amino}-N-hydroxy...) Show SMILES [#8]-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)\[#6]=[#6]-1\c2ccccc2-c2ccccc-12 Show InChI InChI=1S/C21H22N2O3/c24-20(23-26)12-2-1-7-13-22-21(25)14-19-17-10-5-3-8-15(17)16-9-4-6-11-18(16)19/h3-6,8-11,14,26H,1-2,7,12-13H2,(H,22,25)(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1				Eur J Med Chem 44: 1067-85 (2009) Article DOI: 10.1016/j.ejmech.2008.06.020 BindingDB Entry DOI: 10.7270/Q2BG2NTX
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50268097 (6-{[2-(9H-Fluoren-9-yliden)acetyl]amino}-N-hydroxy...) Show SMILES [#8]-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)\[#6]=[#6]-1\c2ccccc2-c2ccccc-12 Show InChI InChI=1S/C21H22N2O3/c24-20(23-26)12-2-1-7-13-22-21(25)14-19-17-10-5-3-8-15(17)16-9-4-6-11-18(16)19/h3-6,8-11,14,26H,1-2,7,12-13H2,(H,22,25)(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6				Eur J Med Chem 44: 1067-85 (2009) Article DOI: 10.1016/j.ejmech.2008.06.020 BindingDB Entry DOI: 10.7270/Q2BG2NTX
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM81395 (APO-866) Show SMILES O=C(NCCCCC1CCN(CC1)C(=O)c1ccccc1)\C=C\c1cccnc1 Show InChI InChI=1S/C24H29N3O2/c28-23(12-11-21-8-6-15-25-19-21)26-16-5-4-7-20-13-17-27(18-14-20)24(29)22-9-2-1-3-10-22/h1-3,6,8-12,15,19-20H,4-5,7,13-14,16-18H2,(H,26,28)/b12-11+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents	MMDB PDB Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Topotarget A/S Curated by ChEMBL					Assay Description Inhibition of NAMPT in human HepG2 cells using [14C]-nicotinamide/PRPP as substrate assessed as formation of [14C]-nicotinamide mononucleotide after ...				J Med Chem 56: 9071-88 (2013) Article DOI: 10.1021/jm4009949 BindingDB Entry DOI: 10.7270/Q2CV4K6W
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 9 (Homo sapiens (Human))	BDBM50268097 (6-{[2-(9H-Fluoren-9-yliden)acetyl]amino}-N-hydroxy...) Show SMILES [#8]-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)\[#6]=[#6]-1\c2ccccc2-c2ccccc-12 Show InChI InChI=1S/C21H22N2O3/c24-20(23-26)12-2-1-7-13-22-21(25)14-19-17-10-5-3-8-15(17)16-9-4-6-11-18(16)19/h3-6,8-11,14,26H,1-2,7,12-13H2,(H,22,25)(H,23,24)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC9				Eur J Med Chem 44: 1067-85 (2009) Article DOI: 10.1016/j.ejmech.2008.06.020 BindingDB Entry DOI: 10.7270/Q2BG2NTX
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM50443801 (CHEMBL3094254) Show SMILES O=S(=O)(CCCCCCNC(NC#N)=Nc1ccncc1)NOCC1CCCCC1 |w:14.14| Show InChI InChI=1S/C20H32N6O3S/c21-17-24-20(25-19-10-13-22-14-11-19)23-12-6-1-2-7-15-30(27,28)26-29-16-18-8-4-3-5-9-18/h10-11,13-14,18,26H,1-9,12,15-16H2,(H2,22,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Topotarget A/S Curated by ChEMBL					Assay Description Inhibition of NAMPT in human HepG2 cells using [14C]-nicotinamide/PRPP as substrate assessed as formation of [14C]-nicotinamide mononucleotide after ...				J Med Chem 56: 9071-88 (2013) Article DOI: 10.1021/jm4009949 BindingDB Entry DOI: 10.7270/Q2CV4K6W
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM50443798 (CHEMBL3094258) Show SMILES O=S(=O)(CCCCCCNC(NC#N)=Nc1ccncc1)N(CCCN1CCOCC1)C1CCCCC1 |w:14.14| Show InChI InChI=1S/C26H43N7O3S/c27-23-30-26(31-24-11-14-28-15-12-24)29-13-6-1-2-7-22-37(34,35)33(25-9-4-3-5-10-25)17-8-16-32-18-20-36-21-19-32/h11-12,14-15,25H,1-10,13,16-22H2,(H2,28,29,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Topotarget A/S Curated by ChEMBL					Assay Description Inhibition of NAMPT in human HepG2 cells using [14C]-nicotinamide/PRPP as substrate assessed as formation of [14C]-nicotinamide mononucleotide after ...				J Med Chem 56: 9071-88 (2013) Article DOI: 10.1021/jm4009949 BindingDB Entry DOI: 10.7270/Q2CV4K6W
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50268063 ((E)-N-[6-(Hydroxyamino)-6-oxohexyl]-3-(7-quinoliny...) Show SMILES ONC(=O)CCCCCNC(=O)\C=C\c1ccc2cccnc2c1 Show InChI InChI=1S/C18H21N3O3/c22-17(20-11-3-1-2-6-18(23)21-24)10-8-14-7-9-15-5-4-12-19-16(15)13-14/h4-5,7-10,12-13,24H,1-3,6,11H2,(H,20,22)(H,21,23)/b10-8+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC2				Eur J Med Chem 44: 1067-85 (2009) Article DOI: 10.1016/j.ejmech.2008.06.020 BindingDB Entry DOI: 10.7270/Q2BG2NTX
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50268121 ((E)-3-(4-Chloro-2-fluorophenyl)-N-[6-(hydroxyamino...) Show SMILES ONC(=O)CCCCCNC(=O)\C=C\c1ccc(Cl)cc1F Show InChI InChI=1S/C15H18ClFN2O3/c16-12-7-5-11(13(17)10-12)6-8-14(20)18-9-3-1-2-4-15(21)19-22/h5-8,10,22H,1-4,9H2,(H,18,20)(H,19,21)/b8-6+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6				Eur J Med Chem 44: 1067-85 (2009) Article DOI: 10.1016/j.ejmech.2008.06.020 BindingDB Entry DOI: 10.7270/Q2BG2NTX
					More data for this Ligand-Target Pair
Histone deacetylase 9 (Homo sapiens (Human))	BDBM50268063 ((E)-N-[6-(Hydroxyamino)-6-oxohexyl]-3-(7-quinoliny...) Show SMILES ONC(=O)CCCCCNC(=O)\C=C\c1ccc2cccnc2c1 Show InChI InChI=1S/C18H21N3O3/c22-17(20-11-3-1-2-6-18(23)21-24)10-8-14-7-9-15-5-4-12-19-16(15)13-14/h4-5,7-10,12-13,24H,1-3,6,11H2,(H,20,22)(H,21,23)/b10-8+	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC9				Eur J Med Chem 44: 1067-85 (2009) Article DOI: 10.1016/j.ejmech.2008.06.020 BindingDB Entry DOI: 10.7270/Q2BG2NTX
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50268097 (6-{[2-(9H-Fluoren-9-yliden)acetyl]amino}-N-hydroxy...) Show SMILES [#8]-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)\[#6]=[#6]-1\c2ccccc2-c2ccccc-12 Show InChI InChI=1S/C21H22N2O3/c24-20(23-26)12-2-1-7-13-22-21(25)14-19-17-10-5-3-8-15(17)16-9-4-6-11-18(16)19/h3-6,8-11,14,26H,1-2,7,12-13H2,(H,22,25)(H,23,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC3				Eur J Med Chem 44: 1067-85 (2009) Article DOI: 10.1016/j.ejmech.2008.06.020 BindingDB Entry DOI: 10.7270/Q2BG2NTX
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50268063 ((E)-N-[6-(Hydroxyamino)-6-oxohexyl]-3-(7-quinoliny...) Show SMILES ONC(=O)CCCCCNC(=O)\C=C\c1ccc2cccnc2c1 Show InChI InChI=1S/C18H21N3O3/c22-17(20-11-3-1-2-6-18(23)21-24)10-8-14-7-9-15-5-4-12-19-16(15)13-14/h4-5,7-10,12-13,24H,1-3,6,11H2,(H,20,22)(H,21,23)/b10-8+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1				Eur J Med Chem 44: 1067-85 (2009) Article DOI: 10.1016/j.ejmech.2008.06.020 BindingDB Entry DOI: 10.7270/Q2BG2NTX
					More data for this Ligand-Target Pair
Histone deacetylase 7 (Homo sapiens (Human))	BDBM50268063 ((E)-N-[6-(Hydroxyamino)-6-oxohexyl]-3-(7-quinoliny...) Show SMILES ONC(=O)CCCCCNC(=O)\C=C\c1ccc2cccnc2c1 Show InChI InChI=1S/C18H21N3O3/c22-17(20-11-3-1-2-6-18(23)21-24)10-8-14-7-9-15-5-4-12-19-16(15)13-14/h4-5,7-10,12-13,24H,1-3,6,11H2,(H,20,22)(H,21,23)/b10-8+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC7				Eur J Med Chem 44: 1067-85 (2009) Article DOI: 10.1016/j.ejmech.2008.06.020 BindingDB Entry DOI: 10.7270/Q2BG2NTX
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50268121 ((E)-3-(4-Chloro-2-fluorophenyl)-N-[6-(hydroxyamino...) Show SMILES ONC(=O)CCCCCNC(=O)\C=C\c1ccc(Cl)cc1F Show InChI InChI=1S/C15H18ClFN2O3/c16-12-7-5-11(13(17)10-12)6-8-14(20)18-9-3-1-2-4-15(21)19-22/h5-8,10,22H,1-4,9H2,(H,18,20)(H,19,21)/b8-6+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC2				Eur J Med Chem 44: 1067-85 (2009) Article DOI: 10.1016/j.ejmech.2008.06.020 BindingDB Entry DOI: 10.7270/Q2BG2NTX
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50268042 ((2E,4E)-N-[6-(Hydroxyamino)-6-oxohexyl]-3-methyl-5...) Show SMILES C\C(\C=C\c1ccccc1)=C/C(=O)NCCCCCC(=O)NO Show InChI InChI=1S/C18H24N2O3/c1-15(11-12-16-8-4-2-5-9-16)14-18(22)19-13-7-3-6-10-17(21)20-23/h2,4-5,8-9,11-12,14,23H,3,6-7,10,13H2,1H3,(H,19,22)(H,20,21)/b12-11+,15-14+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC2				Eur J Med Chem 44: 1067-85 (2009) Article DOI: 10.1016/j.ejmech.2008.06.020 BindingDB Entry DOI: 10.7270/Q2BG2NTX
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM50443799 (CHEMBL3094257) Show SMILES FCCN(OCC1CCCCC1)S(=O)(=O)CCCCCCNC(NC#N)=Nc1ccncc1 |w:26.27| Show InChI InChI=1S/C22H35FN6O3S/c23-12-16-29(32-18-20-8-4-3-5-9-20)33(30,31)17-7-2-1-6-13-26-22(27-19-24)28-21-10-14-25-15-11-21/h10-11,14-15,20H,1-9,12-13,16-18H2,(H2,25,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Topotarget A/S Curated by ChEMBL					Assay Description Inhibition of NAMPT in human HepG2 cells using [14C]-nicotinamide/PRPP as substrate assessed as formation of [14C]-nicotinamide mononucleotide after ...				J Med Chem 56: 9071-88 (2013) Article DOI: 10.1021/jm4009949 BindingDB Entry DOI: 10.7270/Q2CV4K6W
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50268121 ((E)-3-(4-Chloro-2-fluorophenyl)-N-[6-(hydroxyamino...) Show SMILES ONC(=O)CCCCCNC(=O)\C=C\c1ccc(Cl)cc1F Show InChI InChI=1S/C15H18ClFN2O3/c16-12-7-5-11(13(17)10-12)6-8-14(20)18-9-3-1-2-4-15(21)19-22/h5-8,10,22H,1-4,9H2,(H,18,20)(H,19,21)/b8-6+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1				Eur J Med Chem 44: 1067-85 (2009) Article DOI: 10.1016/j.ejmech.2008.06.020 BindingDB Entry DOI: 10.7270/Q2BG2NTX
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50268063 ((E)-N-[6-(Hydroxyamino)-6-oxohexyl]-3-(7-quinoliny...) Show SMILES ONC(=O)CCCCCNC(=O)\C=C\c1ccc2cccnc2c1 Show InChI InChI=1S/C18H21N3O3/c22-17(20-11-3-1-2-6-18(23)21-24)10-8-14-7-9-15-5-4-12-19-16(15)13-14/h4-5,7-10,12-13,24H,1-3,6,11H2,(H,20,22)(H,21,23)/b10-8+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6				Eur J Med Chem 44: 1067-85 (2009) Article DOI: 10.1016/j.ejmech.2008.06.020 BindingDB Entry DOI: 10.7270/Q2BG2NTX
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50268042 ((2E,4E)-N-[6-(Hydroxyamino)-6-oxohexyl]-3-methyl-5...) Show SMILES C\C(\C=C\c1ccccc1)=C/C(=O)NCCCCCC(=O)NO Show InChI InChI=1S/C18H24N2O3/c1-15(11-12-16-8-4-2-5-9-16)14-18(22)19-13-7-3-6-10-17(21)20-23/h2,4-5,8-9,11-12,14,23H,3,6-7,10,13H2,1H3,(H,19,22)(H,20,21)/b12-11+,15-14+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1				Eur J Med Chem 44: 1067-85 (2009) Article DOI: 10.1016/j.ejmech.2008.06.020 BindingDB Entry DOI: 10.7270/Q2BG2NTX
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50268042 ((2E,4E)-N-[6-(Hydroxyamino)-6-oxohexyl]-3-methyl-5...) Show SMILES C\C(\C=C\c1ccccc1)=C/C(=O)NCCCCCC(=O)NO Show InChI InChI=1S/C18H24N2O3/c1-15(11-12-16-8-4-2-5-9-16)14-18(22)19-13-7-3-6-10-17(21)20-23/h2,4-5,8-9,11-12,14,23H,3,6-7,10,13H2,1H3,(H,19,22)(H,20,21)/b12-11+,15-14+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6				Eur J Med Chem 44: 1067-85 (2009) Article DOI: 10.1016/j.ejmech.2008.06.020 BindingDB Entry DOI: 10.7270/Q2BG2NTX
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM50443796 (CHEMBL3094229) Show SMILES O=C1C(NCCCCCCCS(=O)(=O)N(OCCN2CCOCC2)C2CCCCC2)C(Nc2ccncc2)C1=O Show InChI InChI=1S/C28H45N5O6S/c34-27-25(26(28(27)35)31-23-11-14-29-15-12-23)30-13-7-2-1-3-8-22-40(36,37)33(24-9-5-4-6-10-24)39-21-18-32-16-19-38-20-17-32/h11-12,14-15,24-26,30H,1-10,13,16-22H2,(H,29,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
Topotarget A/S Curated by ChEMBL					Assay Description Inhibition of NAMPT in human HepG2 cells using [14C]-nicotinamide/PRPP as substrate assessed as formation of [14C]-nicotinamide mononucleotide after ...				J Med Chem 56: 9071-88 (2013) Article DOI: 10.1021/jm4009949 BindingDB Entry DOI: 10.7270/Q2CV4K6W
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50268042 ((2E,4E)-N-[6-(Hydroxyamino)-6-oxohexyl]-3-methyl-5...) Show SMILES C\C(\C=C\c1ccccc1)=C/C(=O)NCCCCCC(=O)NO Show InChI InChI=1S/C18H24N2O3/c1-15(11-12-16-8-4-2-5-9-16)14-18(22)19-13-7-3-6-10-17(21)20-23/h2,4-5,8-9,11-12,14,23H,3,6-7,10,13H2,1H3,(H,19,22)(H,20,21)/b12-11+,15-14+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC4				Eur J Med Chem 44: 1067-85 (2009) Article DOI: 10.1016/j.ejmech.2008.06.020 BindingDB Entry DOI: 10.7270/Q2BG2NTX
					More data for this Ligand-Target Pair
Histone deacetylase 9 (Homo sapiens (Human))	BDBM50268121 ((E)-3-(4-Chloro-2-fluorophenyl)-N-[6-(hydroxyamino...) Show SMILES ONC(=O)CCCCCNC(=O)\C=C\c1ccc(Cl)cc1F Show InChI InChI=1S/C15H18ClFN2O3/c16-12-7-5-11(13(17)10-12)6-8-14(20)18-9-3-1-2-4-15(21)19-22/h5-8,10,22H,1-4,9H2,(H,18,20)(H,19,21)/b8-6+	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC9				Eur J Med Chem 44: 1067-85 (2009) Article DOI: 10.1016/j.ejmech.2008.06.020 BindingDB Entry DOI: 10.7270/Q2BG2NTX
					More data for this Ligand-Target Pair
Histone deacetylase 9 (Homo sapiens (Human))	BDBM50268042 ((2E,4E)-N-[6-(Hydroxyamino)-6-oxohexyl]-3-methyl-5...) Show SMILES C\C(\C=C\c1ccccc1)=C/C(=O)NCCCCCC(=O)NO Show InChI InChI=1S/C18H24N2O3/c1-15(11-12-16-8-4-2-5-9-16)14-18(22)19-13-7-3-6-10-17(21)20-23/h2,4-5,8-9,11-12,14,23H,3,6-7,10,13H2,1H3,(H,19,22)(H,20,21)/b12-11+,15-14+	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC9				Eur J Med Chem 44: 1067-85 (2009) Article DOI: 10.1016/j.ejmech.2008.06.020 BindingDB Entry DOI: 10.7270/Q2BG2NTX
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50268121 ((E)-3-(4-Chloro-2-fluorophenyl)-N-[6-(hydroxyamino...) Show SMILES ONC(=O)CCCCCNC(=O)\C=C\c1ccc(Cl)cc1F Show InChI InChI=1S/C15H18ClFN2O3/c16-12-7-5-11(13(17)10-12)6-8-14(20)18-9-3-1-2-4-15(21)19-22/h5-8,10,22H,1-4,9H2,(H,18,20)(H,19,21)/b8-6+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC4				Eur J Med Chem 44: 1067-85 (2009) Article DOI: 10.1016/j.ejmech.2008.06.020 BindingDB Entry DOI: 10.7270/Q2BG2NTX
					More data for this Ligand-Target Pair
Histone deacetylase 7 (Homo sapiens (Human))	BDBM50268042 ((2E,4E)-N-[6-(Hydroxyamino)-6-oxohexyl]-3-methyl-5...) Show SMILES C\C(\C=C\c1ccccc1)=C/C(=O)NCCCCCC(=O)NO Show InChI InChI=1S/C18H24N2O3/c1-15(11-12-16-8-4-2-5-9-16)14-18(22)19-13-7-3-6-10-17(21)20-23/h2,4-5,8-9,11-12,14,23H,3,6-7,10,13H2,1H3,(H,19,22)(H,20,21)/b12-11+,15-14+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC7				Eur J Med Chem 44: 1067-85 (2009) Article DOI: 10.1016/j.ejmech.2008.06.020 BindingDB Entry DOI: 10.7270/Q2BG2NTX
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM50443802 (CHEMBL3094251) Show SMILES O=C(CCCCCCCNC(NC#N)=Nc1ccncc1)N(Cc1ccccc1)OCCN1CCOCC1 |w:14.14| Show InChI InChI=1S/C28H39N7O3/c29-24-32-28(33-26-12-15-30-16-13-26)31-14-8-3-1-2-7-11-27(36)35(23-25-9-5-4-6-10-25)38-22-19-34-17-20-37-21-18-34/h4-6,9-10,12-13,15-16H,1-3,7-8,11,14,17-23H2,(H2,30,31,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
Topotarget A/S Curated by ChEMBL					Assay Description Inhibition of NAMPT in human HepG2 cells using [14C]-nicotinamide/PRPP as substrate assessed as formation of [14C]-nicotinamide mononucleotide after ...				J Med Chem 56: 9071-88 (2013) Article DOI: 10.1021/jm4009949 BindingDB Entry DOI: 10.7270/Q2CV4K6W
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50268121 ((E)-3-(4-Chloro-2-fluorophenyl)-N-[6-(hydroxyamino...) Show SMILES ONC(=O)CCCCCNC(=O)\C=C\c1ccc(Cl)cc1F Show InChI InChI=1S/C15H18ClFN2O3/c16-12-7-5-11(13(17)10-12)6-8-14(20)18-9-3-1-2-4-15(21)19-22/h5-8,10,22H,1-4,9H2,(H,18,20)(H,19,21)/b8-6+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC3				Eur J Med Chem 44: 1067-85 (2009) Article DOI: 10.1016/j.ejmech.2008.06.020 BindingDB Entry DOI: 10.7270/Q2BG2NTX
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50268063 ((E)-N-[6-(Hydroxyamino)-6-oxohexyl]-3-(7-quinoliny...) Show SMILES ONC(=O)CCCCCNC(=O)\C=C\c1ccc2cccnc2c1 Show InChI InChI=1S/C18H21N3O3/c22-17(20-11-3-1-2-6-18(23)21-24)10-8-14-7-9-15-5-4-12-19-16(15)13-14/h4-5,7-10,12-13,24H,1-3,6,11H2,(H,20,22)(H,21,23)/b10-8+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC4				Eur J Med Chem 44: 1067-85 (2009) Article DOI: 10.1016/j.ejmech.2008.06.020 BindingDB Entry DOI: 10.7270/Q2BG2NTX
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50268042 ((2E,4E)-N-[6-(Hydroxyamino)-6-oxohexyl]-3-methyl-5...) Show SMILES C\C(\C=C\c1ccccc1)=C/C(=O)NCCCCCC(=O)NO Show InChI InChI=1S/C18H24N2O3/c1-15(11-12-16-8-4-2-5-9-16)14-18(22)19-13-7-3-6-10-17(21)20-23/h2,4-5,8-9,11-12,14,23H,3,6-7,10,13H2,1H3,(H,19,22)(H,20,21)/b12-11+,15-14+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC3				Eur J Med Chem 44: 1067-85 (2009) Article DOI: 10.1016/j.ejmech.2008.06.020 BindingDB Entry DOI: 10.7270/Q2BG2NTX
					More data for this Ligand-Target Pair
Histone deacetylase 7 (Homo sapiens (Human))	BDBM50268121 ((E)-3-(4-Chloro-2-fluorophenyl)-N-[6-(hydroxyamino...) Show SMILES ONC(=O)CCCCCNC(=O)\C=C\c1ccc(Cl)cc1F Show InChI InChI=1S/C15H18ClFN2O3/c16-12-7-5-11(13(17)10-12)6-8-14(20)18-9-3-1-2-4-15(21)19-22/h5-8,10,22H,1-4,9H2,(H,18,20)(H,19,21)/b8-6+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC7				Eur J Med Chem 44: 1067-85 (2009) Article DOI: 10.1016/j.ejmech.2008.06.020 BindingDB Entry DOI: 10.7270/Q2BG2NTX
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50268063 ((E)-N-[6-(Hydroxyamino)-6-oxohexyl]-3-(7-quinoliny...) Show SMILES ONC(=O)CCCCCNC(=O)\C=C\c1ccc2cccnc2c1 Show InChI InChI=1S/C18H21N3O3/c22-17(20-11-3-1-2-6-18(23)21-24)10-8-14-7-9-15-5-4-12-19-16(15)13-14/h4-5,7-10,12-13,24H,1-3,6,11H2,(H,20,22)(H,21,23)/b10-8+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC3				Eur J Med Chem 44: 1067-85 (2009) Article DOI: 10.1016/j.ejmech.2008.06.020 BindingDB Entry DOI: 10.7270/Q2BG2NTX
					More data for this Ligand-Target Pair
Histone deacetylase 5 (Homo sapiens (Human))	BDBM50268063 ((E)-N-[6-(Hydroxyamino)-6-oxohexyl]-3-(7-quinoliny...) Show SMILES ONC(=O)CCCCCNC(=O)\C=C\c1ccc2cccnc2c1 Show InChI InChI=1S/C18H21N3O3/c22-17(20-11-3-1-2-6-18(23)21-24)10-8-14-7-9-15-5-4-12-19-16(15)13-14/h4-5,7-10,12-13,24H,1-3,6,11H2,(H,20,22)(H,21,23)/b10-8+	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.60	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC5				Eur J Med Chem 44: 1067-85 (2009) Article DOI: 10.1016/j.ejmech.2008.06.020 BindingDB Entry DOI: 10.7270/Q2BG2NTX
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM50443793 (CHEMBL3094236) Show SMILES O=C(CCCCCCNC(=S)NCc1cccnc1)N(OCCN1CCOCC1)C1CCCCC1 Show InChI InChI=1S/C26H43N5O3S/c32-25(12-6-1-2-7-14-28-26(35)29-22-23-9-8-13-27-21-23)31(24-10-4-3-5-11-24)34-20-17-30-15-18-33-19-16-30/h8-9,13,21,24H,1-7,10-12,14-20,22H2,(H2,28,29,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.20	n/a	n/a	n/a	n/a	n/a	n/a
Topotarget A/S Curated by ChEMBL					Assay Description Inhibition of NAMPT in human HepG2 cells using [14C]-nicotinamide/PRPP as substrate assessed as formation of [14C]-nicotinamide mononucleotide after ...				J Med Chem 56: 9071-88 (2013) Article DOI: 10.1021/jm4009949 BindingDB Entry DOI: 10.7270/Q2CV4K6W
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM50443791 (CHEMBL3094238) Show SMILES O=C(NCCCCCCS(=O)(=O)N(CCN1CCOCC1)CC1CCCCC1)NCc1cccnc1 Show InChI InChI=1S/C26H45N5O4S/c32-26(29-22-25-11-8-12-27-21-25)28-13-6-1-2-7-20-36(33,34)31(23-24-9-4-3-5-10-24)15-14-30-16-18-35-19-17-30/h8,11-12,21,24H,1-7,9-10,13-20,22-23H2,(H2,28,29,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Topotarget A/S Curated by ChEMBL					Assay Description Inhibition of NAMPT in human HepG2 cells using [14C]-nicotinamide/PRPP as substrate assessed as formation of [14C]-nicotinamide mononucleotide after ...				J Med Chem 56: 9071-88 (2013) Article DOI: 10.1021/jm4009949 BindingDB Entry DOI: 10.7270/Q2CV4K6W
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM50435350 (CHEMBL17289) Show SMILES Clc1ccc(OCCCCCCNC(Nc2ccncc2)=NC#N)cc1 |w:21.22| Show InChI InChI=1S/C19H22ClN5O/c20-16-5-7-18(8-6-16)26-14-4-2-1-3-11-23-19(24-15-21)25-17-9-12-22-13-10-17/h5-10,12-13H,1-4,11,14H2,(H2,22,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Topotarget A/S Curated by ChEMBL					Assay Description Inhibition of NAMPT in human HepG2 cells using [14C]-nicotinamide/PRPP as substrate assessed as formation of [14C]-nicotinamide mononucleotide after ...				J Med Chem 56: 9071-88 (2013) Article DOI: 10.1021/jm4009949 BindingDB Entry DOI: 10.7270/Q2CV4K6W
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM50443797 (CHEMBL3094224) Show SMILES O=C1C(NCCCCCCS(=O)(=O)N(CCCN2CCOCC2)Cc2cccnc2)C(Nc2ccncc2)C1=O Show InChI InChI=1S/C28H40N6O5S/c35-27-25(26(28(27)36)32-24-8-12-29-13-9-24)31-11-3-1-2-4-20-40(37,38)34(22-23-7-5-10-30-21-23)15-6-14-33-16-18-39-19-17-33/h5,7-10,12-13,21,25-26,31H,1-4,6,11,14-20,22H2,(H,29,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Topotarget A/S Curated by ChEMBL					Assay Description Inhibition of NAMPT in human HepG2 cells using [14C]-nicotinamide/PRPP as substrate assessed as formation of [14C]-nicotinamide mononucleotide after ...				J Med Chem 56: 9071-88 (2013) Article DOI: 10.1021/jm4009949 BindingDB Entry DOI: 10.7270/Q2CV4K6W
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM50443804 (CHEMBL2417795) Show SMILES O=C(CCCCCCNC(NC#N)=Nc1ccncc1)N(Cc1ccccc1)OC1CCCCC1 |w:13.13| Show InChI InChI=1S/C27H36N6O2/c28-22-31-27(32-24-16-19-29-20-17-24)30-18-10-2-1-9-15-26(34)33(21-23-11-5-3-6-12-23)35-25-13-7-4-8-14-25/h3,5-6,11-12,16-17,19-20,25H,1-2,4,7-10,13-15,18,21H2,(H2,29,30,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Topotarget A/S Curated by ChEMBL					Assay Description Inhibition of NAMPT in human HepG2 cells using [14C]-nicotinamide/PRPP as substrate assessed as formation of [14C]-nicotinamide mononucleotide after ...				J Med Chem 56: 9071-88 (2013) Article DOI: 10.1021/jm4009949 BindingDB Entry DOI: 10.7270/Q2CV4K6W
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM50443794 (CHEMBL3094234) Show SMILES O=C(NCCCCCCS(=O)(=O)N(OCCN1CCOCC1)C1CCCCC1)Nc1ccncc1 Show InChI InChI=1S/C24H41N5O5S/c30-24(27-22-10-13-25-14-11-22)26-12-6-1-2-7-21-35(31,32)29(23-8-4-3-5-9-23)34-20-17-28-15-18-33-19-16-28/h10-11,13-14,23H,1-9,12,15-21H2,(H2,25,26,27,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
Topotarget A/S Curated by ChEMBL					Assay Description Inhibition of NAMPT in human HepG2 cells using [14C]-nicotinamide/PRPP as substrate assessed as formation of [14C]-nicotinamide mononucleotide after ...				J Med Chem 56: 9071-88 (2013) Article DOI: 10.1021/jm4009949 BindingDB Entry DOI: 10.7270/Q2CV4K6W
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM50443795 (CHEMBL3094230) Show SMILES O=C1C(NCCCCCS(=O)(=O)N(OCCN2CCOCC2)C2CCCCC2)C(Nc2ccncc2)C1=O Show InChI InChI=1S/C26H41N5O6S/c32-25-23(24(26(25)33)29-21-9-12-27-13-10-21)28-11-5-2-6-20-38(34,35)31(22-7-3-1-4-8-22)37-19-16-30-14-17-36-18-15-30/h9-10,12-13,22-24,28H,1-8,11,14-20H2,(H,27,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Topotarget A/S Curated by ChEMBL					Assay Description Inhibition of NAMPT in human HepG2 cells using [14C]-nicotinamide/PRPP as substrate assessed as formation of [14C]-nicotinamide mononucleotide after ...				J Med Chem 56: 9071-88 (2013) Article DOI: 10.1021/jm4009949 BindingDB Entry DOI: 10.7270/Q2CV4K6W
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC3				Eur J Med Chem 44: 1067-85 (2009) Article DOI: 10.1016/j.ejmech.2008.06.020 BindingDB Entry DOI: 10.7270/Q2BG2NTX
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1				Eur J Med Chem 44: 1067-85 (2009) Article DOI: 10.1016/j.ejmech.2008.06.020 BindingDB Entry DOI: 10.7270/Q2BG2NTX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 4 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	101	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC4				Eur J Med Chem 44: 1067-85 (2009) Article DOI: 10.1016/j.ejmech.2008.06.020 BindingDB Entry DOI: 10.7270/Q2BG2NTX
					More data for this Ligand-Target Pair
Histone deacetylase 7 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	102	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC7				Eur J Med Chem 44: 1067-85 (2009) Article DOI: 10.1016/j.ejmech.2008.06.020 BindingDB Entry DOI: 10.7270/Q2BG2NTX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 9 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	107	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC9				Eur J Med Chem 44: 1067-85 (2009) Article DOI: 10.1016/j.ejmech.2008.06.020 BindingDB Entry DOI: 10.7270/Q2BG2NTX
					More data for this Ligand-Target Pair
Histone deacetylase 5 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	107	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC5				Eur J Med Chem 44: 1067-85 (2009) Article DOI: 10.1016/j.ejmech.2008.06.020 BindingDB Entry DOI: 10.7270/Q2BG2NTX
					More data for this Ligand-Target Pair

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