Compile Data Set for Download or QSAR

Found 1135 hits with Last Name = 'skelton' and Initial = 'n'   

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))	BDBM50202721 (CHEMBL3968268 | US10730889, Example 399 | US114857...) Show SMILES CC1(CC(=O)N2CCC3(CC3CNC(=O)N3Cc4ccncc4C3)CC2)CCOCC1 Show InChI InChI=1S/C24H34N4O3/c1-23(5-10-31-11-6-23)13-21(29)27-8-3-24(4-9-27)12-20(24)15-26-22(30)28-16-18-2-7-25-14-19(18)17-28/h2,7,14,20H,3-6,8-13,15-17H2,1H3,(H,26,30)	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	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of NAMPT in human A2780 cells assessed as decrease in cell viability after 72 hrs by SRB assay				J Med Chem 59: 8345-68 (2016) Article DOI: 10.1021/acs.jmedchem.6b00697 BindingDB Entry DOI: 10.7270/Q2KW5J0C
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM50202656 (CHEMBL3916438 | US10730889, Example 419 | US114857...) Show SMILES CC1(COC1)OC(=O)N1CCC2(C[C@@H]2CNC(=O)N2Cc3ccncc3C2)CC1 |r| Show InChI InChI=1S/C21H28N4O4/c1-20(13-28-14-20)29-19(27)24-6-3-21(4-7-24)8-17(21)10-23-18(26)25-11-15-2-5-22-9-16(15)12-25/h2,5,9,17H,3-4,6-8,10-14H2,1H3,(H,23,26)/t17-/m1/s1	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	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of NAMPT in human A2780 cells assessed as decrease in cell viability after 72 hrs by SRB assay				J Med Chem 59: 8345-68 (2016) Article DOI: 10.1021/acs.jmedchem.6b00697 BindingDB Entry DOI: 10.7270/Q2KW5J0C
					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	1	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of NAMPT in human A2780 cells assessed as decrease in cell viability after 72 hrs by SRB assay				J Med Chem 59: 8345-68 (2016) Article DOI: 10.1021/acs.jmedchem.6b00697 BindingDB Entry DOI: 10.7270/Q2KW5J0C
					More data for this Ligand-Target Pair				3D Structure (crystal)
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50327785 ((R)-2-amino-1-(4-(5-chloro-7H-pyrrolo[2,3-d]pyrimi...) Show SMILES N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(CC1)c1ncnc2[nH]cc(Cl)c12 |r| Show InChI InChI=1S/C19H20Cl2N6O/c20-13-3-1-12(2-4-13)9-15(22)19(28)27-7-5-26(6-8-27)18-16-14(21)10-23-17(16)24-11-25-18/h1-4,10-11,15H,5-9,22H2,(H,23,24,25)/t15-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc Curated by ChEMBL					Assay Description Inhibition of AKT1 by IMAP assay				Bioorg Med Chem Lett 20: 5607-12 (2010) Article DOI: 10.1016/j.bmcl.2010.08.053 BindingDB Entry DOI: 10.7270/Q2M908XQ
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50327782 ((R)-2-amino-3-(4-chlorophenyl)-1-(4-(5-methyl-7H-p...) Show SMILES Cc1c[nH]c2ncnc(N3CCN(CC3)C(=O)[C@H](N)Cc3ccc(Cl)cc3)c12 |r| Show InChI InChI=1S/C20H23ClN6O/c1-13-11-23-18-17(13)19(25-12-24-18)26-6-8-27(9-7-26)20(28)16(22)10-14-2-4-15(21)5-3-14/h2-5,11-12,16H,6-10,22H2,1H3,(H,23,24,25)/t16-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc Curated by ChEMBL					Assay Description Inhibition of AKT1 by IMAP assay				Bioorg Med Chem Lett 20: 5607-12 (2010) Article DOI: 10.1016/j.bmcl.2010.08.053 BindingDB Entry DOI: 10.7270/Q2M908XQ
					More data for this Ligand-Target Pair
RAC-gamma serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50398382 (CHEMBL2177387) Show SMILES CC(C)NC[C@@H](C(=O)N1CCN(CC1)c1ncnc2CC[C@@H](C=C)c12)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C25H32ClN5O/c1-4-18-7-10-22-23(18)24(29-16-28-22)30-11-13-31(14-12-30)25(32)21(15-27-17(2)3)19-5-8-20(26)9-6-19/h4-6,8-9,16-18,21,27H,1,7,10-15H2,2-3H3/t18-,21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc. Curated by ChEMBL					Assay Description Competitive inhibition of wild-type full-length amino-terminal polyhistidine-tagged human Akt3 expressed in recombinant baculovirus system using fluo...				J Med Chem 55: 8110-27 (2012) Article DOI: 10.1021/jm301024w BindingDB Entry DOI: 10.7270/Q20P1160
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50332329 ((S)-2-(4-chlorobenzyl)-3-(isopropylamino)-1-(4-((S...) Show SMILES CC(C)NC[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(CC1)c1ncnc2CS[C@@H](C)c12 |r| Show InChI InChI=1S/C24H32ClN5OS/c1-16(2)26-13-19(12-18-4-6-20(25)7-5-18)24(31)30-10-8-29(9-11-30)23-22-17(3)32-14-21(22)27-15-28-23/h4-7,15-17,19,26H,8-14H2,1-3H3/t17-,19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc. Curated by ChEMBL					Assay Description Inhibition of Akt1				Bioorg Med Chem Lett 20: 7037-41 (2010) Article DOI: 10.1016/j.bmcl.2010.09.112 BindingDB Entry DOI: 10.7270/Q2TM7BBJ
					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	1	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of NAMPT in human A2780 cells assessed as decrease in cell viability after 72 hrs by SRB assay				J Med Chem 59: 8345-68 (2016) Article DOI: 10.1021/acs.jmedchem.6b00697 BindingDB Entry DOI: 10.7270/Q2KW5J0C
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM50202639 (CHEMBL3983716 | US10730889, Example 350 | US114857...) Show SMILES CC1(COC1)OC(=O)N1CCC2(CC2CNC(=O)N2Cc3ccncc3C2)CC1 Show InChI InChI=1S/C21H28N4O4/c1-20(13-28-14-20)29-19(27)24-6-3-21(4-7-24)8-17(21)10-23-18(26)25-11-15-2-5-22-9-16(15)12-25/h2,5,9,17H,3-4,6-8,10-14H2,1H3,(H,23,26)	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	1	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of NAMPT in human A2780 cells assessed as decrease in cell viability after 72 hrs by SRB assay				J Med Chem 59: 8345-68 (2016) Article DOI: 10.1021/acs.jmedchem.6b00697 BindingDB Entry DOI: 10.7270/Q2KW5J0C
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50332316 ((R)-2-amino-3-(4-chlorophenyl)-1-(4-((S)-5-methyl-...) Show SMILES C[C@@H]1SCc2ncnc(N3CCN(CC3)C(=O)[C@H](N)Cc3ccc(Cl)cc3)c12 |r| Show InChI InChI=1S/C20H24ClN5OS/c1-13-18-17(11-28-13)23-12-24-19(18)25-6-8-26(9-7-25)20(27)16(22)10-14-2-4-15(21)5-3-14/h2-5,12-13,16H,6-11,22H2,1H3/t13-,16+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc. Curated by ChEMBL					Assay Description Inhibition of Akt1				Bioorg Med Chem Lett 20: 7037-41 (2010) Article DOI: 10.1016/j.bmcl.2010.09.112 BindingDB Entry DOI: 10.7270/Q2TM7BBJ
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM50202642 (CHEMBL3948584) Show SMILES CC(C)(C)OC(=O)N1CCC2(C[C@@H]2CNC(=O)N2Cc3ccncc3C2)CC1 |r| Show InChI InChI=1S/C21H30N4O3/c1-20(2,3)28-19(27)24-8-5-21(6-9-24)10-17(21)12-23-18(26)25-13-15-4-7-22-11-16(15)14-25/h4,7,11,17H,5-6,8-10,12-14H2,1-3H3,(H,23,26)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of NAMPT in human A2780 cells assessed as decrease in cell viability after 72 hrs by SRB assay				J Med Chem 59: 8345-68 (2016) Article DOI: 10.1021/acs.jmedchem.6b00697 BindingDB Entry DOI: 10.7270/Q2KW5J0C
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM50202656 (CHEMBL3916438 | US10730889, Example 419 | US114857...) Show SMILES CC1(COC1)OC(=O)N1CCC2(C[C@@H]2CNC(=O)N2Cc3ccncc3C2)CC1 |r| Show InChI InChI=1S/C21H28N4O4/c1-20(13-28-14-20)29-19(27)24-6-3-21(4-7-24)8-17(21)10-23-18(26)25-11-15-2-5-22-9-16(15)12-25/h2,5,9,17H,3-4,6-8,10-14H2,1H3,(H,23,26)/t17-/m1/s1	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	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of NAMPT in human HT1080 cells assessed as decrease in cell viability after 96 hrs by CyQuant-Direct reagent based assay				J Med Chem 59: 8345-68 (2016) Article DOI: 10.1021/acs.jmedchem.6b00697 BindingDB Entry DOI: 10.7270/Q2KW5J0C
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM50202658 (CHEMBL3893879 | US10730889, Example 49 | US1148574...) Show SMILES CC(C)(C)OC(=O)N1CCC2(CC2CNC(=O)N2Cc3ccncc3C2)CC1 Show InChI InChI=1S/C21H30N4O3/c1-20(2,3)28-19(27)24-8-5-21(6-9-24)10-17(21)12-23-18(26)25-13-15-4-7-22-11-16(15)14-25/h4,7,11,17H,5-6,8-10,12-14H2,1-3H3,(H,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of NAMPT in human A2780 cells assessed as decrease in cell viability after 72 hrs by SRB assay				J Med Chem 59: 8345-68 (2016) Article DOI: 10.1021/acs.jmedchem.6b00697 BindingDB Entry DOI: 10.7270/Q2KW5J0C
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM50202716 (CHEMBL3913883 | US11485745, Example 218) Show SMILES COCC(C)(C)OC(=O)N1CCC2(CC2CNC(=O)N2Cc3ccncc3C2)CC1 Show InChI InChI=1S/C22H32N4O4/c1-21(2,15-29-3)30-20(28)25-8-5-22(6-9-25)10-18(22)12-24-19(27)26-13-16-4-7-23-11-17(16)14-26/h4,7,11,18H,5-6,8-10,12-15H2,1-3H3,(H,24,27)	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	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of NAMPT in human A2780 cells assessed as decrease in cell viability after 72 hrs by SRB assay				J Med Chem 59: 8345-68 (2016) Article DOI: 10.1021/acs.jmedchem.6b00697 BindingDB Entry DOI: 10.7270/Q2KW5J0C
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM455760 (BDBM50202668 | N-[[6-(2,4-dimethyloxazole-5- carbo...) Show SMILES Cc1nc(C)c(o1)C(=O)N1CCC2(CC2CNC(=O)N2Cc3ccncc3C2)CC1 Show InChI InChI=1S/C22H27N5O3/c1-14-19(30-15(2)25-14)20(28)26-7-4-22(5-8-26)9-18(22)11-24-21(29)27-12-16-3-6-23-10-17(16)13-27/h3,6,10,18H,4-5,7-9,11-13H2,1-2H3,(H,24,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of NAMPT in human A2780 cells assessed as decrease in cell viability after 72 hrs by SRB assay				J Med Chem 59: 8345-68 (2016) Article DOI: 10.1021/acs.jmedchem.6b00697 BindingDB Entry DOI: 10.7270/Q2KW5J0C
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM50202636 (CHEMBL3963163 | US10730889, Example 45 | US1148574...) Show SMILES CC(C)(C)CC(=O)N1CCC2(CC2CNC(=O)N2Cc3ccncc3C2)CC1 Show InChI InChI=1S/C22H32N4O2/c1-21(2,3)11-19(27)25-8-5-22(6-9-25)10-18(22)13-24-20(28)26-14-16-4-7-23-12-17(16)15-26/h4,7,12,18H,5-6,8-11,13-15H2,1-3H3,(H,24,28)	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	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of NAMPT in human A2780 cells assessed as decrease in cell viability after 72 hrs by SRB assay				J Med Chem 59: 8345-68 (2016) Article DOI: 10.1021/acs.jmedchem.6b00697 BindingDB Entry DOI: 10.7270/Q2KW5J0C
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM50439306 (CHEMBL2417572) Show SMILES O=C(NCc1ccc(cc1)S(=O)(=O)C1CCCCC1)N1Cc2ccncc2C1 Show InChI InChI=1S/C21H25N3O3S/c25-21(24-14-17-10-11-22-13-18(17)15-24)23-12-16-6-8-20(9-7-16)28(26,27)19-4-2-1-3-5-19/h6-11,13,19H,1-5,12,14-15H2,(H,23,25)	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	2	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of human full length C-terminal His6-tagged NAMPT expressed in Escherichia coli Rosetta (DE3) cells using nicotinamide as substrate incuba...				J Med Chem 59: 8345-68 (2016) Article DOI: 10.1021/acs.jmedchem.6b00697 BindingDB Entry DOI: 10.7270/Q2KW5J0C
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50332327 (2-(4-chloro-3-fluorobenzyl)-3-(isopropylamino)-1-(...) Show SMILES CC(C)NCC(Cc1ccc(Cl)c(F)c1)C(=O)N1CCN(CC1)c1ncnc2CS[C@@H](C)c12 |r| Show InChI InChI=1S/C24H31ClFN5OS/c1-15(2)27-12-18(10-17-4-5-19(25)20(26)11-17)24(32)31-8-6-30(7-9-31)23-22-16(3)33-13-21(22)28-14-29-23/h4-5,11,14-16,18,27H,6-10,12-13H2,1-3H3/t16-,18?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc. Curated by ChEMBL					Assay Description Inhibition of Akt1				Bioorg Med Chem Lett 20: 7037-41 (2010) Article DOI: 10.1016/j.bmcl.2010.09.112 BindingDB Entry DOI: 10.7270/Q2TM7BBJ
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM50438936 (CHEMBL2420629 | GNE-617) Show SMILES Fc1cc(F)cc(c1)S(=O)(=O)c1ccc(CNC(=O)c2ccc3nccn3c2)cc1 Show InChI InChI=1S/C21H15F2N3O3S/c22-16-9-17(23)11-19(10-16)30(28,29)18-4-1-14(2-5-18)12-25-21(27)15-3-6-20-24-7-8-26(20)13-15/h1-11,13H,12H2,(H,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of NAMPT in human A2780 cells assessed as decrease in cell viability after 72 hrs by SRB assay				J Med Chem 59: 8345-68 (2016) Article DOI: 10.1021/acs.jmedchem.6b00697 BindingDB Entry DOI: 10.7270/Q2KW5J0C
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM50439306 (CHEMBL2417572) Show SMILES O=C(NCc1ccc(cc1)S(=O)(=O)C1CCCCC1)N1Cc2ccncc2C1 Show InChI InChI=1S/C21H25N3O3S/c25-21(24-14-17-10-11-22-13-18(17)15-24)23-12-16-6-8-20(9-7-16)28(26,27)19-4-2-1-3-5-19/h6-11,13,19H,1-5,12,14-15H2,(H,23,25)	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	2	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc Curated by ChEMBL					Assay Description Inhibition of human NAMPT using NAM/PRPP as substrate incubated for 15 mins prior to substrate addition measured after 30 mins by mass spectrometric ...				Bioorg Med Chem Lett 23: 4875-85 (2013) Article DOI: 10.1016/j.bmcl.2013.06.090 BindingDB Entry DOI: 10.7270/Q25T3MWP
					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	2	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of human full length C-terminal His6-tagged NAMPT expressed in Escherichia coli Rosetta (DE3) cells using nicotinamide as substrate incuba...				J Med Chem 59: 8345-68 (2016) Article DOI: 10.1021/acs.jmedchem.6b00697 BindingDB Entry DOI: 10.7270/Q2KW5J0C
					More data for this Ligand-Target Pair
RAC-gamma serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50398358 (CHEMBL2177361) Show SMILES C[C@@H]1C[C@@H](O)c2ncnc(N3CCN(CC3)C(=O)[C@H](CNCC3CC3)c3ccc(c(F)c3)C(F)(F)F)c12 |r| Show InChI InChI=1S/C26H31F4N5O2/c1-15-10-21(36)23-22(15)24(33-14-32-23)34-6-8-35(9-7-34)25(37)18(13-31-12-16-2-3-16)17-4-5-19(20(27)11-17)26(28,29)30/h4-5,11,14-16,18,21,31,36H,2-3,6-10,12-13H2,1H3/t15-,18-,21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc. Curated by ChEMBL					Assay Description Competitive inhibition of wild-type full-length amino-terminal polyhistidine-tagged human Akt3 expressed in recombinant baculovirus system using fluo...				J Med Chem 55: 8110-27 (2012) Article DOI: 10.1021/jm301024w BindingDB Entry DOI: 10.7270/Q20P1160
					More data for this Ligand-Target Pair
RAC-gamma serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50398359 (CHEMBL2178598) Show SMILES C[C@@H]1C[C@@H](O)c2ncnc(N3CCN(CC3)C(=O)[C@H](CNC(C)(C)CO)c3ccc(c(F)c3)C(F)(F)F)c12 |r| Show InChI InChI=1S/C26H33F4N5O3/c1-15-10-20(37)22-21(15)23(32-14-31-22)34-6-8-35(9-7-34)24(38)17(12-33-25(2,3)13-36)16-4-5-18(19(27)11-16)26(28,29)30/h4-5,11,14-15,17,20,33,36-37H,6-10,12-13H2,1-3H3/t15-,17-,20-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc. Curated by ChEMBL					Assay Description Competitive inhibition of wild-type full-length amino-terminal polyhistidine-tagged human Akt3 expressed in recombinant baculovirus system using fluo...				J Med Chem 55: 8110-27 (2012) Article DOI: 10.1021/jm301024w BindingDB Entry DOI: 10.7270/Q20P1160
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM50448625 (CHEMBL3127508) Show SMILES CC(C)(O)Cn1cc(cn1)S(=O)(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2cccnc2)cc1 |r| Show InChI InChI=1S/C22H24N4O4S/c1-22(2,28)14-26-13-18(12-24-26)31(29,30)17-7-5-16(6-8-17)25-21(27)20-10-19(20)15-4-3-9-23-11-15/h3-9,11-13,19-20,28H,10,14H2,1-2H3,(H,25,27)/t19-,20+/m0/s1	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	2	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged human full-length NAMPT expressed in Escherichia coli Rosetta DE3 using nicotinamide as substrate preincubated fo...				J Med Chem 57: 770-92 (2014) Article DOI: 10.1021/jm4015108 BindingDB Entry DOI: 10.7270/Q2BC412B
					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	2	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged human full-length NAMPT expressed in Escherichia coli Rosetta DE3 using nicotinamide as substrate preincubated fo...				J Med Chem 57: 770-92 (2014) Article DOI: 10.1021/jm4015108 BindingDB Entry DOI: 10.7270/Q2BC412B
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50398382 (CHEMBL2177387) Show SMILES CC(C)NC[C@@H](C(=O)N1CCN(CC1)c1ncnc2CC[C@@H](C=C)c12)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C25H32ClN5O/c1-4-18-7-10-22-23(18)24(29-16-28-22)30-11-13-31(14-12-30)25(32)21(15-27-17(2)3)19-5-8-20(26)9-6-19/h4-6,8-9,16-18,21,27H,1,7,10-15H2,2-3H3/t18-,21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc. Curated by ChEMBL					Assay Description Competitive inhibition of wild-type full-length amino-terminal polyhistidine-tagged human Akt1 expressed in recombinant baculovirus system using fluo...				J Med Chem 55: 8110-27 (2012) Article DOI: 10.1021/jm301024w BindingDB Entry DOI: 10.7270/Q20P1160
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50340304 (CHEMBL1760759 | N-(2-ethoxyethyl)-N-((2S)-2-hydrox...) Show SMILES CCOCCN(C[C@@H](O)CN1CCCC2(CCN(C2)c2ncnc3[nH]cc(C)c23)C1)S(=O)(=O)c1c(C)cccc1C |r| Show InChI InChI=1S/C30H44N6O4S/c1-5-40-15-14-36(41(38,39)27-22(2)8-6-9-23(27)3)18-25(37)17-34-12-7-10-30(19-34)11-13-35(20-30)29-26-24(4)16-31-28(26)32-21-33-29/h6,8-9,16,21,25,37H,5,7,10-15,17-20H2,1-4H3,(H,31,32,33)/t25-,30?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc. Curated by ChEMBL					Assay Description Inhibition of Akt1				Bioorg Med Chem Lett 21: 2335-40 (2011) Article DOI: 10.1016/j.bmcl.2011.02.098 BindingDB Entry DOI: 10.7270/Q2H132B2
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50327783 ((R)-2-amino-3-(4-chlorophenyl)-1-(4-(5-ethyl-7H-py...) Show SMILES CCc1c[nH]c2ncnc(N3CCN(CC3)C(=O)[C@H](N)Cc3ccc(Cl)cc3)c12 |r| Show InChI InChI=1S/C21H25ClN6O/c1-2-15-12-24-19-18(15)20(26-13-25-19)27-7-9-28(10-8-27)21(29)17(23)11-14-3-5-16(22)6-4-14/h3-6,12-13,17H,2,7-11,23H2,1H3,(H,24,25,26)/t17-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc Curated by ChEMBL					Assay Description Inhibition of AKT1 by IMAP assay				Bioorg Med Chem Lett 20: 5607-12 (2010) Article DOI: 10.1016/j.bmcl.2010.08.053 BindingDB Entry DOI: 10.7270/Q2M908XQ
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50327784 ((R)-2-amino-3-(4-chlorophenyl)-1-(4-(5-cyclopropyl...) Show SMILES N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(CC1)c1ncnc2[nH]cc(C3CC3)c12 |r| Show InChI InChI=1S/C22H25ClN6O/c23-16-5-1-14(2-6-16)11-18(24)22(30)29-9-7-28(8-10-29)21-19-17(15-3-4-15)12-25-20(19)26-13-27-21/h1-2,5-6,12-13,15,18H,3-4,7-11,24H2,(H,25,26,27)/t18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc Curated by ChEMBL					Assay Description Inhibition of AKT1 by IMAP assay				Bioorg Med Chem Lett 20: 5607-12 (2010) Article DOI: 10.1016/j.bmcl.2010.08.053 BindingDB Entry DOI: 10.7270/Q2M908XQ
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50327787 ((S)-3-amino-2-(4-chlorobenzyl)-1-(4-(5-methyl-7H-p...) Show SMILES Cc1c[nH]c2ncnc(N3CCN(CC3)C(=O)[C@H](CN)Cc3ccc(Cl)cc3)c12 |r| Show InChI InChI=1S/C21H25ClN6O/c1-14-12-24-19-18(14)20(26-13-25-19)27-6-8-28(9-7-27)21(29)16(11-23)10-15-2-4-17(22)5-3-15/h2-5,12-13,16H,6-11,23H2,1H3,(H,24,25,26)/t16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc Curated by ChEMBL					Assay Description Inhibition of AKT1 by IMAP assay				Bioorg Med Chem Lett 20: 5607-12 (2010) Article DOI: 10.1016/j.bmcl.2010.08.053 BindingDB Entry DOI: 10.7270/Q2M908XQ
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50327792 ((S)-1-(4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazi...) Show SMILES NC[C@@H](C(=O)N1CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C19H21ClN6O/c20-14-3-1-13(2-4-14)16(11-21)19(27)26-9-7-25(8-10-26)18-15-5-6-22-17(15)23-12-24-18/h1-6,12,16H,7-11,21H2,(H,22,23,24)/t16-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc Curated by ChEMBL					Assay Description Inhibition of AKT1 by IMAP assay				Bioorg Med Chem Lett 20: 5607-12 (2010) Article DOI: 10.1016/j.bmcl.2010.08.053 BindingDB Entry DOI: 10.7270/Q2M908XQ
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50327794 ((S)-3-amino-1-(4-(5-chloro-7H-pyrrolo[2,3-d]pyrimi...) Show SMILES NC[C@@H](C(=O)N1CCN(CC1)c1ncnc2[nH]cc(Cl)c12)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C19H19Cl3N6O/c20-13-2-1-11(7-14(13)21)12(8-23)19(29)28-5-3-27(4-6-28)18-16-15(22)9-24-17(16)25-10-26-18/h1-2,7,9-10,12H,3-6,8,23H2,(H,24,25,26)/t12-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc Curated by ChEMBL					Assay Description Inhibition of AKT1 by IMAP assay				Bioorg Med Chem Lett 20: 5607-12 (2010) Article DOI: 10.1016/j.bmcl.2010.08.053 BindingDB Entry DOI: 10.7270/Q2M908XQ
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50332318 ((R)-2-amino-3-(4-chloro-3-fluorophenyl)-1-(4-((S)-...) Show SMILES C[C@@H]1SCc2ncnc(N3CCN(CC3)C(=O)[C@H](N)Cc3ccc(Cl)c(F)c3)c12 |r| Show InChI InChI=1S/C20H23ClFN5OS/c1-12-18-17(10-29-12)24-11-25-19(18)26-4-6-27(7-5-26)20(28)16(23)9-13-2-3-14(21)15(22)8-13/h2-3,8,11-12,16H,4-7,9-10,23H2,1H3/t12-,16+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc. Curated by ChEMBL					Assay Description Inhibition of Akt1				Bioorg Med Chem Lett 20: 7037-41 (2010) Article DOI: 10.1016/j.bmcl.2010.09.112 BindingDB Entry DOI: 10.7270/Q2TM7BBJ
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50398372 (CHEMBL2177378) Show SMILES C[C@@H]1C[C@@H](O)c2ncnc(N3CCN(CC3)C(=O)[C@H](CNC(C)(C)CO)c3ccc(Cl)cc3)c12 |r| Show InChI InChI=1S/C25H34ClN5O3/c1-16-12-20(33)22-21(16)23(28-15-27-22)30-8-10-31(11-9-30)24(34)19(13-29-25(2,3)14-32)17-4-6-18(26)7-5-17/h4-7,15-16,19-20,29,32-33H,8-14H2,1-3H3/t16-,19-,20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc. Curated by ChEMBL					Assay Description Competitive inhibition of wild-type full-length amino-terminal polyhistidine-tagged human Akt1 expressed in recombinant baculovirus system using fluo...				J Med Chem 55: 8110-27 (2012) Article DOI: 10.1021/jm301024w BindingDB Entry DOI: 10.7270/Q20P1160
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM50202639 (CHEMBL3983716 | US10730889, Example 350 | US114857...) Show SMILES CC1(COC1)OC(=O)N1CCC2(CC2CNC(=O)N2Cc3ccncc3C2)CC1 Show InChI InChI=1S/C21H28N4O4/c1-20(13-28-14-20)29-19(27)24-6-3-21(4-7-24)8-17(21)10-23-18(26)25-11-15-2-5-22-9-16(15)12-25/h2,5,9,17H,3-4,6-8,10-14H2,1H3,(H,23,26)	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	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of NAMPT in human A2780 cells assessed as decrease in cell viability after 72 hrs by SRB assay				J Med Chem 59: 8345-68 (2016) Article DOI: 10.1021/acs.jmedchem.6b00697 BindingDB Entry DOI: 10.7270/Q2KW5J0C
					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	3	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of human full length C-terminal His6-tagged NAMPT expressed in Escherichia coli Rosetta (DE3) cells using nicotinamide as substrate incuba...				J Med Chem 59: 8345-68 (2016) Article DOI: 10.1021/acs.jmedchem.6b00697 BindingDB Entry DOI: 10.7270/Q2KW5J0C
					More data for this Ligand-Target Pair				3D Structure (crystal)
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50398381 (CHEMBL2177388) Show SMILES CC(C)NC[C@@H](C(=O)N1CCN(CC1)c1ncnc2CC[C@@H](CF)c12)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C24H31ClFN5O/c1-16(2)27-14-20(17-3-6-19(25)7-4-17)24(32)31-11-9-30(10-12-31)23-22-18(13-26)5-8-21(22)28-15-29-23/h3-4,6-7,15-16,18,20,27H,5,8-14H2,1-2H3/t18-,20+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc. Curated by ChEMBL					Assay Description Competitive inhibition of wild-type full-length amino-terminal polyhistidine-tagged human Akt1 expressed in recombinant baculovirus system using fluo...				J Med Chem 55: 8110-27 (2012) Article DOI: 10.1021/jm301024w BindingDB Entry DOI: 10.7270/Q20P1160
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50398365 (CHEMBL2177368) Show SMILES C[C@@H]1C[C@@H](O)c2ncnc(N3CCN(CC3)C(=O)[C@H](CNCC3CCOCC3)c3ccc(Cl)cc3)c12 |r| Show InChI InChI=1S/C27H36ClN5O3/c1-18-14-23(34)25-24(18)26(31-17-30-25)32-8-10-33(11-9-32)27(35)22(20-2-4-21(28)5-3-20)16-29-15-19-6-12-36-13-7-19/h2-5,17-19,22-23,29,34H,6-16H2,1H3/t18-,22-,23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc. Curated by ChEMBL					Assay Description Competitive inhibition of wild-type full-length amino-terminal polyhistidine-tagged human Akt1 expressed in recombinant baculovirus system using fluo...				J Med Chem 55: 8110-27 (2012) Article DOI: 10.1021/jm301024w BindingDB Entry DOI: 10.7270/Q20P1160
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50398358 (CHEMBL2177361) Show SMILES C[C@@H]1C[C@@H](O)c2ncnc(N3CCN(CC3)C(=O)[C@H](CNCC3CC3)c3ccc(c(F)c3)C(F)(F)F)c12 |r| Show InChI InChI=1S/C26H31F4N5O2/c1-15-10-21(36)23-22(15)24(33-14-32-23)34-6-8-35(9-7-34)25(37)18(13-31-12-16-2-3-16)17-4-5-19(20(27)11-17)26(28,29)30/h4-5,11,14-16,18,21,31,36H,2-3,6-10,12-13H2,1H3/t15-,18-,21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc. Curated by ChEMBL					Assay Description Competitive inhibition of wild-type full-length amino-terminal polyhistidine-tagged human Akt1 expressed in recombinant baculovirus system using fluo...				J Med Chem 55: 8110-27 (2012) Article DOI: 10.1021/jm301024w BindingDB Entry DOI: 10.7270/Q20P1160
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50398360 (CHEMBL2178597) Show SMILES C[C@@H]1C[C@@H](O)c2ncnc(N3CCN(CC3)C(=O)[C@H](CNC(C)(C)C)c3ccc(c(F)c3)C(F)(F)F)c12 |r| Show InChI InChI=1S/C26H33F4N5O2/c1-15-11-20(36)22-21(15)23(32-14-31-22)34-7-9-35(10-8-34)24(37)17(13-33-25(2,3)4)16-5-6-18(19(27)12-16)26(28,29)30/h5-6,12,14-15,17,20,33,36H,7-11,13H2,1-4H3/t15-,17-,20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc. Curated by ChEMBL					Assay Description Competitive inhibition of wild-type full-length amino-terminal polyhistidine-tagged human Akt1 expressed in recombinant baculovirus system using fluo...				J Med Chem 55: 8110-27 (2012) Article DOI: 10.1021/jm301024w BindingDB Entry DOI: 10.7270/Q20P1160
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50398361 (CHEMBL2177372) Show SMILES CC(C)NC[C@@H](C(=O)N1CCN(CC1)c1ncnc2[C@H](O)C[C@@H](C)c12)c1ccc(Cl)c(F)c1 |r| Show InChI InChI=1S/C24H31ClFN5O2/c1-14(2)27-12-17(16-4-5-18(25)19(26)11-16)24(33)31-8-6-30(7-9-31)23-21-15(3)10-20(32)22(21)28-13-29-23/h4-5,11,13-15,17,20,27,32H,6-10,12H2,1-3H3/t15-,17-,20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc. Curated by ChEMBL					Assay Description Competitive inhibition of wild-type full-length amino-terminal polyhistidine-tagged human Akt1 expressed in recombinant baculovirus system using fluo...				J Med Chem 55: 8110-27 (2012) Article DOI: 10.1021/jm301024w BindingDB Entry DOI: 10.7270/Q20P1160
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM50435348 (CHEMBL2391572 | US11279687, Compound 439) Show SMILES O=C(NCc1cccnc1)Nc1ccc(cc1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C19H17N3O3S/c23-19(21-14-15-5-4-12-20-13-15)22-16-8-10-18(11-9-16)26(24,25)17-6-2-1-3-7-17/h1-13H,14H2,(H2,21,22,23)	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	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of human full length C-terminal His6-tagged NAMPT expressed in Escherichia coli Rosetta (DE3) cells using nicotinamide as substrate incuba...				J Med Chem 59: 8345-68 (2016) Article DOI: 10.1021/acs.jmedchem.6b00697 BindingDB Entry DOI: 10.7270/Q2KW5J0C
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM50435774 (CHEMBL2393183 | US11279687, Compound 204) Show SMILES Nc1ccc(CNC(=O)Nc2ccc(cc2)S(=O)(=O)c2ccccc2)cn1 Show InChI InChI=1S/C19H18N4O3S/c20-18-11-6-14(12-21-18)13-22-19(24)23-15-7-9-17(10-8-15)27(25,26)16-4-2-1-3-5-16/h1-12H,13H2,(H2,20,21)(H2,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of human full length C-terminal His6-tagged NAMPT expressed in Escherichia coli Rosetta (DE3) cells using nicotinamide as substrate incuba...				J Med Chem 59: 8345-68 (2016) Article DOI: 10.1021/acs.jmedchem.6b00697 BindingDB Entry DOI: 10.7270/Q2KW5J0C
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM50435771 (CHEMBL2393168) Show SMILES FC(F)(F)C1CCN(CCN1)S(=O)(=O)c1ccc(NC(=O)NCc2cccnc2)cc1 Show InChI InChI=1S/C19H22F3N5O3S/c20-19(21,22)17-7-10-27(11-9-24-17)31(29,30)16-5-3-15(4-6-16)26-18(28)25-13-14-2-1-8-23-12-14/h1-6,8,12,17,24H,7,9-11,13H2,(H2,25,26,28)	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	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of NAMPT (unknown origin) assessed as NAM conversion to NMN preincubated for 15 mins prior to substrate addition measured after 30 mins by...				Bioorg Med Chem Lett 23: 3531-8 (2013) Article DOI: 10.1016/j.bmcl.2013.04.040 BindingDB Entry DOI: 10.7270/Q2DJ5H1D
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM50435774 (CHEMBL2393183 | US11279687, Compound 204) Show SMILES Nc1ccc(CNC(=O)Nc2ccc(cc2)S(=O)(=O)c2ccccc2)cn1 Show InChI InChI=1S/C19H18N4O3S/c20-18-11-6-14(12-21-18)13-22-19(24)23-15-7-9-17(10-8-15)27(25,26)16-4-2-1-3-5-16/h1-12H,13H2,(H2,20,21)(H2,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of NAMPT (unknown origin) assessed as NAM conversion to NMN preincubated for 15 mins prior to substrate addition measured after 30 mins by...				Bioorg Med Chem Lett 23: 3531-8 (2013) Article DOI: 10.1016/j.bmcl.2013.04.040 BindingDB Entry DOI: 10.7270/Q2DJ5H1D
					More data for this Ligand-Target Pair				3D Structure (crystal)
RAC-gamma serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50398360 (CHEMBL2178597) Show SMILES C[C@@H]1C[C@@H](O)c2ncnc(N3CCN(CC3)C(=O)[C@H](CNC(C)(C)C)c3ccc(c(F)c3)C(F)(F)F)c12 |r| Show InChI InChI=1S/C26H33F4N5O2/c1-15-11-20(36)22-21(15)23(32-14-31-22)34-7-9-35(10-8-34)24(37)17(13-33-25(2,3)4)16-5-6-18(19(27)12-16)26(28,29)30/h5-6,12,14-15,17,20,33,36H,7-11,13H2,1-4H3/t15-,17-,20-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc. Curated by ChEMBL					Assay Description Competitive inhibition of wild-type full-length amino-terminal polyhistidine-tagged human Akt3 expressed in recombinant baculovirus system using fluo...				J Med Chem 55: 8110-27 (2012) Article DOI: 10.1021/jm301024w BindingDB Entry DOI: 10.7270/Q20P1160
					More data for this Ligand-Target Pair
RAC-beta serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50398358 (CHEMBL2177361) Show SMILES C[C@@H]1C[C@@H](O)c2ncnc(N3CCN(CC3)C(=O)[C@H](CNCC3CC3)c3ccc(c(F)c3)C(F)(F)F)c12 |r| Show InChI InChI=1S/C26H31F4N5O2/c1-15-10-21(36)23-22(15)24(33-14-32-23)34-6-8-35(9-7-34)25(37)18(13-31-12-16-2-3-16)17-4-5-19(20(27)11-17)26(28,29)30/h4-5,11,14-16,18,21,31,36H,2-3,6-10,12-13H2,1H3/t15-,18-,21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc. Curated by ChEMBL					Assay Description Competitive inhibition of wild-type full-length amino-terminal polyhistidine-tagged human Akt2 expressed in recombinant baculovirus system using fluo...				J Med Chem 55: 8110-27 (2012) Article DOI: 10.1021/jm301024w BindingDB Entry DOI: 10.7270/Q20P1160
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM50435774 (CHEMBL2393183 | US11279687, Compound 204) Show SMILES Nc1ccc(CNC(=O)Nc2ccc(cc2)S(=O)(=O)c2ccccc2)cn1 Show InChI InChI=1S/C19H18N4O3S/c20-18-11-6-14(12-21-18)13-22-19(24)23-15-7-9-17(10-8-15)27(25,26)16-4-2-1-3-5-16/h1-12H,13H2,(H2,20,21)(H2,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged human full-length NAMPT expressed in Escherichia coli Rosetta DE3 using nicotinamide as substrate preincubated fo...				J Med Chem 57: 770-92 (2014) Article DOI: 10.1021/jm4015108 BindingDB Entry DOI: 10.7270/Q2BC412B
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	3	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged human full-length NAMPT expressed in Escherichia coli Rosetta DE3 using nicotinamide as substrate preincubated fo...				J Med Chem 57: 770-92 (2014) Article DOI: 10.1021/jm4015108 BindingDB Entry DOI: 10.7270/Q2BC412B
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM50435348 (CHEMBL2391572 | US11279687, Compound 439) Show SMILES O=C(NCc1cccnc1)Nc1ccc(cc1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C19H17N3O3S/c23-19(21-14-15-5-4-12-20-13-15)22-16-8-10-18(11-9-16)26(24,25)17-6-2-1-3-7-17/h1-13H,14H2,(H2,21,22,23)	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	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of NAMPT (unknown origin) assessed as NAM conversion to NMN preincubated for 15 mins prior to substrate addition measured after 30 mins by...				Bioorg Med Chem Lett 23: 3531-8 (2013) Article DOI: 10.1016/j.bmcl.2013.04.040 BindingDB Entry DOI: 10.7270/Q2DJ5H1D
					More data for this Ligand-Target Pair

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