Compile Data Set for Download or QSAR

Found 18 hits Enz. Inhib. hit(s) with all data for entry = 50008087   

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 (Mus musculus)	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 KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents	MMDB PDB Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of recombinant mouse wild-type NAMPT expressed in bacterial expression system using PRPP as substrate in presence of mouse NMNAT-3 measure...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111576 BindingDB Entry DOI: 10.7270/Q22R3W15
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nicotinamide phosphoribosyltransferase (Mus musculus)	BDBM50515548 (CHEMBL4458472) Show SMILES O=C(NCCCCCCCn1cc(nn1)-c1cccnc1)c1ccccc1-n1ccnn1 Show InChI InChI=1S/C23H26N8O/c32-23(20-10-4-5-11-22(20)31-16-14-26-28-31)25-13-6-2-1-3-7-15-30-18-21(27-29-30)19-9-8-12-24-17-19/h4-5,8-12,14,16-18H,1-3,6-7,13,15H2,(H,25,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	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
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of recombinant mouse wild-type NAMPT expressed in bacterial expression system using PRPP as substrate in presence of mouse NMNAT-3 measure...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111576 BindingDB Entry DOI: 10.7270/Q22R3W15
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Mus musculus)	BDBM50515544 (CHEMBL4535593) Show SMILES CN1CCN(Cc2cn(nn2)-c2ccccc2C(=O)NCCCCCCCn2cc(nn2)-c2cccnc2)CC1 Show InChI InChI=1S/C29H38N10O/c1-36-16-18-37(19-17-36)21-25-22-39(35-32-25)28-12-6-5-11-26(28)29(40)31-14-7-3-2-4-8-15-38-23-27(33-34-38)24-10-9-13-30-20-24/h5-6,9-13,20,22-23H,2-4,7-8,14-19,21H2,1H3,(H,31,40)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of recombinant mouse wild-type NAMPT expressed in bacterial expression system using PRPP as substrate in presence of mouse NMNAT-3 measure...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111576 BindingDB Entry DOI: 10.7270/Q22R3W15
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Mus musculus)	BDBM50515540 (CHEMBL4470375) Show SMILES O=C(NCCCCCCCn1cc(nn1)-c1cccnc1)c1ccccc1-n1cc(CN2CCCCC2)nn1 Show InChI InChI=1S/C29H37N9O/c39-29(26-13-5-6-14-28(26)38-22-25(32-35-38)21-36-17-8-4-9-18-36)31-16-7-2-1-3-10-19-37-23-27(33-34-37)24-12-11-15-30-20-24/h5-6,11-15,20,22-23H,1-4,7-10,16-19,21H2,(H,31,39)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of recombinant mouse wild-type NAMPT expressed in bacterial expression system using PRPP as substrate in presence of mouse NMNAT-3 measure...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111576 BindingDB Entry DOI: 10.7270/Q22R3W15
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Mus musculus)	BDBM50515543 (CHEMBL4464821) Show SMILES CCOC(=O)C1CCN(Cc2cn(nn2)-c2ccccc2C(=O)NCCCCCCCn2cc(nn2)-c2cccnc2)CC1 Show InChI InChI=1S/C32H41N9O3/c1-2-44-32(43)25-14-19-39(20-15-25)22-27-23-41(38-35-27)30-13-7-6-12-28(30)31(42)34-17-8-4-3-5-9-18-40-24-29(36-37-40)26-11-10-16-33-21-26/h6-7,10-13,16,21,23-25H,2-5,8-9,14-15,17-20,22H2,1H3,(H,34,42)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of recombinant mouse wild-type NAMPT expressed in bacterial expression system using PRPP as substrate in presence of mouse NMNAT-3 measure...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111576 BindingDB Entry DOI: 10.7270/Q22R3W15
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Mus musculus)	BDBM50515552 (CHEMBL4469394) Show SMILES O=C(NCCCCCCCn1cc(nn1)-c1cccnc1)c1ccccc1-n1cc(CN2CCCC2)nn1 Show InChI InChI=1S/C28H35N9O/c38-28(25-12-4-5-13-27(25)37-21-24(31-34-37)20-35-16-8-9-17-35)30-15-6-2-1-3-7-18-36-22-26(32-33-36)23-11-10-14-29-19-23/h4-5,10-14,19,21-22H,1-3,6-9,15-18,20H2,(H,30,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of recombinant mouse wild-type NAMPT expressed in bacterial expression system using PRPP as substrate in presence of mouse NMNAT-3 measure...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111576 BindingDB Entry DOI: 10.7270/Q22R3W15
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Mus musculus)	BDBM50515551 (CHEMBL4446772) Show SMILES CC(C)N1CCN(Cc2cn(nn2)-c2ccccc2C(=O)NCCCCCCCn2cc(nn2)-c2cccnc2)CC1 Show InChI InChI=1S/C31H42N10O/c1-25(2)39-19-17-38(18-20-39)22-27-23-41(37-34-27)30-13-7-6-12-28(30)31(42)33-15-8-4-3-5-9-16-40-24-29(35-36-40)26-11-10-14-32-21-26/h6-7,10-14,21,23-25H,3-5,8-9,15-20,22H2,1-2H3,(H,33,42)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of recombinant mouse wild-type NAMPT expressed in bacterial expression system using PRPP as substrate in presence of mouse NMNAT-3 measure...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111576 BindingDB Entry DOI: 10.7270/Q22R3W15
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Mus musculus)	BDBM50515556 (CHEMBL4555764) Show SMILES O=C(NCCCCCCCn1cc(nn1)-c1cccnc1)c1ccccc1-c1cccnc1 Show InChI InChI=1S/C26H28N6O/c33-26(24-13-5-4-12-23(24)21-10-8-14-27-18-21)29-16-6-2-1-3-7-17-32-20-25(30-31-32)22-11-9-15-28-19-22/h4-5,8-15,18-20H,1-3,6-7,16-17H2,(H,29,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of recombinant mouse wild-type NAMPT expressed in bacterial expression system using PRPP as substrate in presence of mouse NMNAT-3 measure...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111576 BindingDB Entry DOI: 10.7270/Q22R3W15
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Mus musculus)	BDBM50515541 (CHEMBL4590810) Show SMILES OC(=O)c1ccccc1-c1ccccc1C(=O)NCCCCCCCn1cc(nn1)-c1cccnc1 Show InChI InChI=1S/C28H29N5O3/c34-27(24-14-6-4-12-22(24)23-13-5-7-15-25(23)28(35)36)30-17-8-2-1-3-9-18-33-20-26(31-32-33)21-11-10-16-29-19-21/h4-7,10-16,19-20H,1-3,8-9,17-18H2,(H,30,34)(H,35,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of recombinant mouse wild-type NAMPT expressed in bacterial expression system using PRPP as substrate in presence of mouse NMNAT-3 measure...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111576 BindingDB Entry DOI: 10.7270/Q22R3W15
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Mus musculus)	BDBM50515545 (CHEMBL4440197) Show SMILES CN(C)Cc1cn(nn1)-c1ccccc1C(=O)NCCCCCCCn1cc(nn1)-c1cccnc1 Show InChI InChI=1S/C26H33N9O/c1-33(2)18-22-19-35(32-29-22)25-13-7-6-12-23(25)26(36)28-15-8-4-3-5-9-16-34-20-24(30-31-34)21-11-10-14-27-17-21/h6-7,10-14,17,19-20H,3-5,8-9,15-16,18H2,1-2H3,(H,28,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of recombinant mouse wild-type NAMPT expressed in bacterial expression system using PRPP as substrate in presence of mouse NMNAT-3 measure...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111576 BindingDB Entry DOI: 10.7270/Q22R3W15
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Mus musculus)	BDBM50515546 (CHEMBL4577703) Show SMILES OC1CCN(Cc2cn(nn2)-c2ccccc2C(=O)NCCCCCCCn2cc(nn2)-c2cccnc2)CC1 Show InChI InChI=1S/C29H37N9O2/c39-25-12-17-36(18-13-25)20-24-21-38(35-32-24)28-11-5-4-10-26(28)29(40)31-15-6-2-1-3-7-16-37-22-27(33-34-37)23-9-8-14-30-19-23/h4-5,8-11,14,19,21-22,25,39H,1-3,6-7,12-13,15-18,20H2,(H,31,40)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of recombinant mouse wild-type NAMPT expressed in bacterial expression system using PRPP as substrate in presence of mouse NMNAT-3 measure...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111576 BindingDB Entry DOI: 10.7270/Q22R3W15
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Mus musculus)	BDBM50515547 (CHEMBL4444551) Show SMILES O=C(NCCCCCCCn1cc(nn1)-c1cccnc1)c1ccccc1-c1c[nH]nn1 Show InChI InChI=1S/C23H26N8O/c32-23(20-11-5-4-10-19(20)21-16-26-29-27-21)25-13-6-2-1-3-7-14-31-17-22(28-30-31)18-9-8-12-24-15-18/h4-5,8-12,15-17H,1-3,6-7,13-14H2,(H,25,32)(H,26,27,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of recombinant mouse wild-type NAMPT expressed in bacterial expression system using PRPP as substrate in presence of mouse NMNAT-3 measure...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111576 BindingDB Entry DOI: 10.7270/Q22R3W15
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Mus musculus)	BDBM50515542 (CHEMBL4569066) Show SMILES O=C(NCCCCCCCn1cc(nn1)-c1cccnc1)c1ccccc1-n1cc(CN2CCOCC2)nn1 Show InChI InChI=1S/C28H35N9O2/c38-28(25-10-4-5-11-27(25)37-21-24(31-34-37)20-35-15-17-39-18-16-35)30-13-6-2-1-3-7-14-36-22-26(32-33-36)23-9-8-12-29-19-23/h4-5,8-12,19,21-22H,1-3,6-7,13-18,20H2,(H,30,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of recombinant mouse wild-type NAMPT expressed in bacterial expression system using PRPP as substrate in presence of mouse NMNAT-3 measure...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111576 BindingDB Entry DOI: 10.7270/Q22R3W15
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Mus musculus)	BDBM50515553 (CHEMBL4567518) Show SMILES OCCN(CCO)Cc1cn(nn1)-c1ccccc1C(=O)NCCCCCCCn1cc(nn1)-c1cccnc1 Show InChI InChI=1S/C28H37N9O3/c38-17-15-35(16-18-39)20-24-21-37(34-31-24)27-11-5-4-10-25(27)28(40)30-13-6-2-1-3-7-14-36-22-26(32-33-36)23-9-8-12-29-19-23/h4-5,8-12,19,21-22,38-39H,1-3,6-7,13-18,20H2,(H,30,40)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of recombinant mouse wild-type NAMPT expressed in bacterial expression system using PRPP as substrate in presence of mouse NMNAT-3 measure...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111576 BindingDB Entry DOI: 10.7270/Q22R3W15
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Mus musculus)	BDBM50515550 (CHEMBL4462010) Show SMILES NC(=O)c1ccccc1-c1ccccc1C(=O)NCCCCCCCn1cc(nn1)-c1cccnc1 Show InChI InChI=1S/C28H30N6O2/c29-27(35)24-14-6-4-12-22(24)23-13-5-7-15-25(23)28(36)31-17-8-2-1-3-9-18-34-20-26(32-33-34)21-11-10-16-30-19-21/h4-7,10-16,19-20H,1-3,8-9,17-18H2,(H2,29,35)(H,31,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	88	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of recombinant mouse wild-type NAMPT expressed in bacterial expression system using PRPP as substrate in presence of mouse NMNAT-3 measure...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111576 BindingDB Entry DOI: 10.7270/Q22R3W15
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Mus musculus)	BDBM50515549 (CHEMBL4555772) Show SMILES OC(=O)c1ccc(cc1)-c1ccccc1C(=O)NCCCCCCCn1cc(nn1)-c1cccnc1 Show InChI InChI=1S/C28H29N5O3/c34-27(25-11-5-4-10-24(25)21-12-14-22(15-13-21)28(35)36)30-17-6-2-1-3-7-18-33-20-26(31-32-33)23-9-8-16-29-19-23/h4-5,8-16,19-20H,1-3,6-7,17-18H2,(H,30,34)(H,35,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>500	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of recombinant mouse wild-type NAMPT expressed in bacterial expression system using PRPP as substrate in presence of mouse NMNAT-3 measure...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111576 BindingDB Entry DOI: 10.7270/Q22R3W15
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Mus musculus)	BDBM50515554 (CHEMBL4561248) Show SMILES OC(=O)c1cccc(c1)-c1ccccc1C(=O)NCCCCCCCn1cc(nn1)-c1cccnc1 Show InChI InChI=1S/C28H29N5O3/c34-27(25-14-5-4-13-24(25)21-10-8-11-22(18-21)28(35)36)30-16-6-2-1-3-7-17-33-20-26(31-32-33)23-12-9-15-29-19-23/h4-5,8-15,18-20H,1-3,6-7,16-17H2,(H,30,34)(H,35,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>500	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of recombinant mouse wild-type NAMPT expressed in bacterial expression system using PRPP as substrate in presence of mouse NMNAT-3 measure...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111576 BindingDB Entry DOI: 10.7270/Q22R3W15
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Mus musculus)	BDBM50515555 (CHEMBL4070645) Show SMILES [O-][n+]1cccc(c1)-c1cn(CCCCCCCNC(=O)c2ccccc2-c2ccccc2)nn1 Show InChI InChI=1S/C27H29N5O2/c33-27(25-16-8-7-15-24(25)22-12-5-4-6-13-22)28-17-9-2-1-3-10-18-31-21-26(29-30-31)23-14-11-19-32(34)20-23/h4-8,11-16,19-21H,1-3,9-10,17-18H2,(H,28,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>500	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of recombinant mouse wild-type NAMPT expressed in bacterial expression system using PRPP as substrate in presence of mouse NMNAT-3 measure...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111576 BindingDB Entry DOI: 10.7270/Q22R3W15
					More data for this Ligand-Target Pair