Compile Data Set for Download or QSAR

Found 305 hits with Last Name = 'gelin' 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
Aminopeptidase N (Sus scrofa (Pig))	BDBM50353018 (CHEMBL1821980 | CHEMBL1852660) Show SMILES NC1CCc2c(Br)ccc(-c3ccccc3)c2CC1=O Show InChI InChI=1S/C17H16BrNO/c18-15-8-6-12(11-4-2-1-3-5-11)14-10-17(20)16(19)9-7-13(14)15/h1-6,8,16H,7,9-10,19H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Haute-Alsace Curated by ChEMBL					Assay Description Inhibition of pig APN using L-leucine-p-nitroanilide as substrate measured every 10 mins for 2 hrs by spectriphotometric analysis				Bioorg Med Chem 21: 2135-44 (2013) Article DOI: 10.1016/j.bmc.2012.12.038 BindingDB Entry DOI: 10.7270/Q2CZ38J9
					More data for this Ligand-Target Pair
Aminopeptidase N (Mus musculus)	BDBM50353018 (CHEMBL1821980 | CHEMBL1852660) Show SMILES NC1CCc2c(Br)ccc(-c3ccccc3)c2CC1=O Show InChI InChI=1S/C17H16BrNO/c18-15-8-6-12(11-4-2-1-3-5-11)14-10-17(20)16(19)9-7-13(14)15/h1-6,8,16H,7,9-10,19H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Haute-Alsace Curated by ChEMBL					Assay Description Inhibition of mouse APN using L-leucine-p-nitroanilide as substrate measured every 10 mins for 2 hrs by spectriphotometric analysis				Bioorg Med Chem 21: 2135-44 (2013) Article DOI: 10.1016/j.bmc.2012.12.038 BindingDB Entry DOI: 10.7270/Q2CZ38J9
					More data for this Ligand-Target Pair
Aminopeptidase N (Homo sapiens (Human))	BDBM50353018 (CHEMBL1821980 | CHEMBL1852660) Show SMILES NC1CCc2c(Br)ccc(-c3ccccc3)c2CC1=O Show InChI InChI=1S/C17H16BrNO/c18-15-8-6-12(11-4-2-1-3-5-11)14-10-17(20)16(19)9-7-13(14)15/h1-6,8,16H,7,9-10,19H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Haute-Alsace Curated by ChEMBL					Assay Description Inhibition of human APN using L-leucine-p-nitroanilide as substrate measured every 10 mins for 2 hrs by spectriphotometric analysis				Bioorg Med Chem 21: 2135-44 (2013) Article DOI: 10.1016/j.bmc.2012.12.038 BindingDB Entry DOI: 10.7270/Q2CZ38J9
					More data for this Ligand-Target Pair
Aminopeptidase N (Sus scrofa (Pig))	BDBM50353016 (CHEMBL1821978) Show SMILES NC1CCc2cccc(c2CC1=O)-c1ccccc1 Show InChI InChI=1S/C17H17NO/c18-16-10-9-13-7-4-8-14(15(13)11-17(16)19)12-5-2-1-3-6-12/h1-8,16H,9-11,18H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Haute-Alsace Curated by ChEMBL					Assay Description Inhibition of pig APN using L-leucine-p-nitroanilide as substrate measured every 10 mins for 2 hrs by spectriphotometric analysis				Bioorg Med Chem 21: 2135-44 (2013) Article DOI: 10.1016/j.bmc.2012.12.038 BindingDB Entry DOI: 10.7270/Q2CZ38J9
					More data for this Ligand-Target Pair
Aminopeptidase N (Mus musculus)	BDBM50353016 (CHEMBL1821978) Show SMILES NC1CCc2cccc(c2CC1=O)-c1ccccc1 Show InChI InChI=1S/C17H17NO/c18-16-10-9-13-7-4-8-14(15(13)11-17(16)19)12-5-2-1-3-6-12/h1-8,16H,9-11,18H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Haute-Alsace Curated by ChEMBL					Assay Description Inhibition of mouse APN using L-leucine-p-nitroanilide as substrate measured every 10 mins for 2 hrs by spectriphotometric analysis				Bioorg Med Chem 21: 2135-44 (2013) Article DOI: 10.1016/j.bmc.2012.12.038 BindingDB Entry DOI: 10.7270/Q2CZ38J9
					More data for this Ligand-Target Pair
Aminopeptidase N (Homo sapiens (Human))	BDBM50353016 (CHEMBL1821978) Show SMILES NC1CCc2cccc(c2CC1=O)-c1ccccc1 Show InChI InChI=1S/C17H17NO/c18-16-10-9-13-7-4-8-14(15(13)11-17(16)19)12-5-2-1-3-6-12/h1-8,16H,9-11,18H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Haute-Alsace Curated by ChEMBL					Assay Description Inhibition of human APN using L-leucine-p-nitroanilide as substrate measured every 10 mins for 2 hrs by spectriphotometric analysis				Bioorg Med Chem 21: 2135-44 (2013) Article DOI: 10.1016/j.bmc.2012.12.038 BindingDB Entry DOI: 10.7270/Q2CZ38J9
					More data for this Ligand-Target Pair
Aminopeptidase N (Sus scrofa (Pig))	BDBM50336495 (7-Amino-5,7,8,9-tetrahydro-benzocyclohepten-6-one,...) Show SMILES NC1CCc2ccccc2CC1=O Show InChI InChI=1S/C11H13NO/c12-10-6-5-8-3-1-2-4-9(8)7-11(10)13/h1-4,10H,5-7,12H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Haute-Alsace Curated by ChEMBL					Assay Description Inhibition of pig APN using L-leucine-p-nitroanilide as substrate measured every 10 mins for 2 hrs by spectriphotometric analysis				Bioorg Med Chem 21: 2135-44 (2013) Article DOI: 10.1016/j.bmc.2012.12.038 BindingDB Entry DOI: 10.7270/Q2CZ38J9
					More data for this Ligand-Target Pair
Aminopeptidase N (Homo sapiens (Human))	BDBM50336495 (7-Amino-5,7,8,9-tetrahydro-benzocyclohepten-6-one,...) Show SMILES NC1CCc2ccccc2CC1=O Show InChI InChI=1S/C11H13NO/c12-10-6-5-8-3-1-2-4-9(8)7-11(10)13/h1-4,10H,5-7,12H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Haute-Alsace Curated by ChEMBL					Assay Description Inhibition of human APN using L-leucine-p-nitroanilide as substrate measured every 10 mins for 2 hrs by spectriphotometric analysis				Bioorg Med Chem 21: 2135-44 (2013) Article DOI: 10.1016/j.bmc.2012.12.038 BindingDB Entry DOI: 10.7270/Q2CZ38J9
					More data for this Ligand-Target Pair
Aminopeptidase N (Mus musculus)	BDBM50336495 (7-Amino-5,7,8,9-tetrahydro-benzocyclohepten-6-one,...) Show SMILES NC1CCc2ccccc2CC1=O Show InChI InChI=1S/C11H13NO/c12-10-6-5-8-3-1-2-4-9(8)7-11(10)13/h1-4,10H,5-7,12H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Haute-Alsace Curated by ChEMBL					Assay Description Inhibition of mouse APN using L-leucine-p-nitroanilide as substrate measured every 10 mins for 2 hrs by spectriphotometric analysis				Bioorg Med Chem 21: 2135-44 (2013) Article DOI: 10.1016/j.bmc.2012.12.038 BindingDB Entry DOI: 10.7270/Q2CZ38J9
					More data for this Ligand-Target Pair
NAD kinase (Staphylococcus aureus)	BDBM141970 (US8927520, 19) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CNCC#Cc2nc3c(N)ncnc3n2[C@@H]2O[C@H](CO)C(O)[C@@H]2O)C(O)[C@@H]1O |r| Show InChI InChI=1S/C23H27N11O7/c24-18-12-20(29-6-27-18)33(8-31-12)22-16(38)14(36)9(40-22)4-26-3-1-2-11-32-13-19(25)28-7-30-21(13)34(11)23-17(39)15(37)10(5-35)41-23/h6-10,14-17,22-23,26,35-39H,3-5H2,(H2,24,27,29)(H2,25,28,30)/t9-,10-,14?,15?,16+,17+,22-,23-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut Pasteur; Institut Curie US Patent					Assay Description For inhibitor assays, IC50 was determined, in the presence of 1 mM NAD and 4 mM ATP (for LmNADK1) or 2 mM ATP (for SaNADK). Dixon plots were used to ...				US Patent US8927520 (2015) BindingDB Entry DOI: 10.7270/Q2ZG6QX6
					More data for this Ligand-Target Pair
NAD kinase 1 (Listeria monocytogenes)	BDBM141970 (US8927520, 19) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CNCC#Cc2nc3c(N)ncnc3n2[C@@H]2O[C@H](CO)C(O)[C@@H]2O)C(O)[C@@H]1O |r| Show InChI InChI=1S/C23H27N11O7/c24-18-12-20(29-6-27-18)33(8-31-12)22-16(38)14(36)9(40-22)4-26-3-1-2-11-32-13-19(25)28-7-30-21(13)34(11)23-17(39)15(37)10(5-35)41-23/h6-10,14-17,22-23,26,35-39H,3-5H2,(H2,24,27,29)(H2,25,28,30)/t9-,10-,14?,15?,16+,17+,22-,23-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut Pasteur; Institut Curie US Patent					Assay Description For inhibitor assays, IC50 was determined, in the presence of 1 mM NAD and 4 mM ATP (for LmNADK1) or 2 mM ATP (for SaNADK). Dixon plots were used to ...				US Patent US8927520 (2015) BindingDB Entry DOI: 10.7270/Q2ZG6QX6
					More data for this Ligand-Target Pair
NAD kinase (Staphylococcus aureus)	BDBM141971 (US8927520, 22) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COCC#Cc2nc3c(N)ncnc3n2[C@@H]2O[C@H](CO)C(O)[C@@H]2O)C(O)[C@@H]1O |r| Show InChI InChI=1S/C23H26N10O8/c24-18-12-20(28-6-26-18)32(8-30-12)22-16(37)15(36)10(41-22)5-39-3-1-2-11-31-13-19(25)27-7-29-21(13)33(11)23-17(38)14(35)9(4-34)40-23/h6-10,14-17,22-23,34-38H,3-5H2,(H2,24,26,28)(H2,25,27,29)/t9-,10-,14?,15?,16+,17+,22-,23-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut Pasteur; Institut Curie US Patent					Assay Description For inhibitor assays, IC50 was determined, in the presence of 1 mM NAD and 4 mM ATP (for LmNADK1) or 2 mM ATP (for SaNADK). Dixon plots were used to ...				US Patent US8927520 (2015) BindingDB Entry DOI: 10.7270/Q2ZG6QX6
					More data for this Ligand-Target Pair
NAD kinase 1 (Listeria monocytogenes)	BDBM141971 (US8927520, 22) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COCC#Cc2nc3c(N)ncnc3n2[C@@H]2O[C@H](CO)C(O)[C@@H]2O)C(O)[C@@H]1O |r| Show InChI InChI=1S/C23H26N10O8/c24-18-12-20(28-6-26-18)32(8-30-12)22-16(37)15(36)10(41-22)5-39-3-1-2-11-31-13-19(25)27-7-29-21(13)33(11)23-17(38)14(35)9(4-34)40-23/h6-10,14-17,22-23,34-38H,3-5H2,(H2,24,26,28)(H2,25,27,29)/t9-,10-,14?,15?,16+,17+,22-,23-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut Pasteur; Institut Curie US Patent					Assay Description For inhibitor assays, IC50 was determined, in the presence of 1 mM NAD and 4 mM ATP (for LmNADK1) or 2 mM ATP (for SaNADK). Dixon plots were used to ...				US Patent US8927520 (2015) BindingDB Entry DOI: 10.7270/Q2ZG6QX6
					More data for this Ligand-Target Pair
NAD kinase (Homo sapiens (Human))	BDBM50208878 (CHEMBL3883415) Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CN=[N+]=[N-])[C@@H](O)[C@H]3O)c(SCC(=O)NCCc3cccc(Cl)c3)nc12 |r| Show InChI InChI=1S/C20H22ClN9O4S/c21-11-3-1-2-10(6-11)4-5-24-13(31)8-35-20-28-14-17(22)25-9-26-18(14)30(20)19-16(33)15(32)12(34-19)7-27-29-23/h1-3,6,9,12,15-16,19,32-33H,4-5,7-8H2,(H,24,31)(H2,22,25,26)/t12-,15-,16-,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
France; CNRS Curated by ChEMBL					Assay Description Inhibition of human NADK expressed in Escherichia coli BL21(DE3) assessed as reduction in NADP production using NAD as substrate by glucose-6-phospha...				Eur J Med Chem 124: 1041-1056 (2016) Article DOI: 10.1016/j.ejmech.2016.10.033 BindingDB Entry DOI: 10.7270/Q2WH2S1K
					More data for this Ligand-Target Pair
NAD kinase 1 (Listeria monocytogenes)	BDBM141969 (US8927520, 17) Show SMILES NC[C@H]1O[C@H]([C@@H](O)C1O)n1c(SCC(=O)NC[C@H]2O[C@H]([C@@H](O)C2O)n2cnc3c(N)ncnc23)nc2c(N)ncnc12 |r| Show InChI InChI=1S/C22H28N12O7S/c23-1-7-12(36)15(39)21(40-7)34-19-11(17(25)28-5-30-19)32-22(34)42-3-9(35)26-2-8-13(37)14(38)20(41-8)33-6-31-10-16(24)27-4-29-18(10)33/h4-8,12-15,20-21,36-39H,1-3,23H2,(H,26,35)(H2,24,27,29)(H2,25,28,30)/t7-,8-,12?,13?,14+,15+,20-,21-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut Pasteur; Institut Curie US Patent					Assay Description For inhibitor assays, IC50 was determined, in the presence of 1 mM NAD and 4 mM ATP (for LmNADK1) or 2 mM ATP (for SaNADK). Dixon plots were used to ...				US Patent US8927520 (2015) BindingDB Entry DOI: 10.7270/Q2ZG6QX6
					More data for this Ligand-Target Pair
NAD kinase (Staphylococcus aureus)	BDBM141969 (US8927520, 17) Show SMILES NC[C@H]1O[C@H]([C@@H](O)C1O)n1c(SCC(=O)NC[C@H]2O[C@H]([C@@H](O)C2O)n2cnc3c(N)ncnc23)nc2c(N)ncnc12 |r| Show InChI InChI=1S/C22H28N12O7S/c23-1-7-12(36)15(39)21(40-7)34-19-11(17(25)28-5-30-19)32-22(34)42-3-9(35)26-2-8-13(37)14(38)20(41-8)33-6-31-10-16(24)27-4-29-18(10)33/h4-8,12-15,20-21,36-39H,1-3,23H2,(H,26,35)(H2,24,27,29)(H2,25,28,30)/t7-,8-,12?,13?,14+,15+,20-,21-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut Pasteur; Institut Curie US Patent					Assay Description For inhibitor assays, IC50 was determined, in the presence of 1 mM NAD and 4 mM ATP (for LmNADK1) or 2 mM ATP (for SaNADK). Dixon plots were used to ...				US Patent US8927520 (2015) BindingDB Entry DOI: 10.7270/Q2ZG6QX6
					More data for this Ligand-Target Pair
NAD kinase (Homo sapiens (Human))	BDBM50208780 (CHEMBL3884180) Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CN=[N+]=[N-])[C@@H](O)[C@H]3O)c(SCC(=O)NCc3cccc(Br)c3)nc12 |r| Show InChI InChI=1S/C19H20BrN9O4S/c20-10-3-1-2-9(4-10)5-23-12(30)7-34-19-27-13-16(21)24-8-25-17(13)29(19)18-15(32)14(31)11(33-18)6-26-28-22/h1-4,8,11,14-15,18,31-32H,5-7H2,(H,23,30)(H2,21,24,25)/t11-,14-,15-,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
France; CNRS Curated by ChEMBL					Assay Description Inhibition of human NADK expressed in Escherichia coli BL21(DE3) assessed as reduction in NADP production using NAD as substrate by glucose-6-phospha...				Eur J Med Chem 124: 1041-1056 (2016) Article DOI: 10.1016/j.ejmech.2016.10.033 BindingDB Entry DOI: 10.7270/Q2WH2S1K
					More data for this Ligand-Target Pair
NAD kinase (Homo sapiens (Human))	BDBM50208778 (CHEMBL3885397) Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CN=[N+]=[N-])[C@@H](O)[C@H]3O)c(SCC(=O)NCCc3c[nH]c4ccc(Cl)cc34)nc12 |r| Show InChI InChI=1S/C22H23ClN10O4S/c23-11-1-2-13-12(5-11)10(6-27-13)3-4-26-15(34)8-38-22-31-16-19(24)28-9-29-20(16)33(22)21-18(36)17(35)14(37-21)7-30-32-25/h1-2,5-6,9,14,17-18,21,27,35-36H,3-4,7-8H2,(H,26,34)(H2,24,28,29)/t14-,17-,18-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	6.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
France; CNRS Curated by ChEMBL					Assay Description Inhibition of human NADK expressed in Escherichia coli BL21(DE3) assessed as reduction in NADP production using NAD as substrate by glucose-6-phospha...				Eur J Med Chem 124: 1041-1056 (2016) Article DOI: 10.1016/j.ejmech.2016.10.033 BindingDB Entry DOI: 10.7270/Q2WH2S1K
					More data for this Ligand-Target Pair
NAD kinase (Homo sapiens (Human))	BDBM50208802 (CHEMBL3885465) Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CN=[N+]=[N-])[C@@H](O)[C@H]3O)c(SCC(=O)NCCc3ccc(Br)cc3)nc12 |r| Show InChI InChI=1S/C20H22BrN9O4S/c21-11-3-1-10(2-4-11)5-6-24-13(31)8-35-20-28-14-17(22)25-9-26-18(14)30(20)19-16(33)15(32)12(34-19)7-27-29-23/h1-4,9,12,15-16,19,32-33H,5-8H2,(H,24,31)(H2,22,25,26)/t12-,15-,16-,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
France; CNRS Curated by ChEMBL					Assay Description Inhibition of human NADK expressed in Escherichia coli BL21(DE3) assessed as reduction in NADP production using NAD as substrate by glucose-6-phospha...				Eur J Med Chem 124: 1041-1056 (2016) Article DOI: 10.1016/j.ejmech.2016.10.033 BindingDB Entry DOI: 10.7270/Q2WH2S1K
					More data for this Ligand-Target Pair
NAD kinase (Homo sapiens (Human))	BDBM50208739 (CHEMBL3885207) Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(SCCC(=O)NCCc3cccc(Br)c3)nc12 |r| Show InChI InChI=1S/C21H25BrN6O5S/c22-12-3-1-2-11(8-12)4-6-24-14(30)5-7-34-21-27-15-18(23)25-10-26-19(15)28(21)20-17(32)16(31)13(9-29)33-20/h1-3,8,10,13,16-17,20,29,31-32H,4-7,9H2,(H,24,30)(H2,23,25,26)/t13-,16-,17-,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
France; CNRS Curated by ChEMBL					Assay Description Inhibition of human NADK expressed in Escherichia coli BL21(DE3) assessed as reduction in NADP production using NAD as substrate by glucose-6-phospha...				Eur J Med Chem 124: 1041-1056 (2016) Article DOI: 10.1016/j.ejmech.2016.10.033 BindingDB Entry DOI: 10.7270/Q2WH2S1K
					More data for this Ligand-Target Pair
NAD kinase (Homo sapiens (Human))	BDBM50208736 (CHEMBL3883373) Show SMILES NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1c(SCC(=O)NCCc2ccc(Br)cc2)nc2c(N)ncnc12 |r| Show InChI InChI=1S/C20H24BrN7O4S/c21-11-3-1-10(2-4-11)5-6-24-13(29)8-33-20-27-14-17(23)25-9-26-18(14)28(20)19-16(31)15(30)12(7-22)32-19/h1-4,9,12,15-16,19,30-31H,5-8,22H2,(H,24,29)(H2,23,25,26)/t12-,15-,16-,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
France; CNRS Curated by ChEMBL					Assay Description Inhibition of human NADK expressed in Escherichia coli BL21(DE3) assessed as reduction in NADP production using NAD as substrate by glucose-6-phospha...				Eur J Med Chem 124: 1041-1056 (2016) Article DOI: 10.1016/j.ejmech.2016.10.033 BindingDB Entry DOI: 10.7270/Q2WH2S1K
					More data for this Ligand-Target Pair
NAD kinase (Homo sapiens (Human))	BDBM50208741 (CHEMBL3883614) Show SMILES NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1c(SCC(=O)NCCc2ccc(Cl)c(Cl)c2)nc2c(N)ncnc12 |r| Show InChI InChI=1S/C20H23Cl2N7O4S/c21-10-2-1-9(5-11(10)22)3-4-25-13(30)7-34-20-28-14-17(24)26-8-27-18(14)29(20)19-16(32)15(31)12(6-23)33-19/h1-2,5,8,12,15-16,19,31-32H,3-4,6-7,23H2,(H,25,30)(H2,24,26,27)/t12-,15-,16-,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
France; CNRS Curated by ChEMBL					Assay Description Inhibition of human NADK expressed in Escherichia coli BL21(DE3) assessed as reduction in NADP production using NAD as substrate by glucose-6-phospha...				Eur J Med Chem 124: 1041-1056 (2016) Article DOI: 10.1016/j.ejmech.2016.10.033 BindingDB Entry DOI: 10.7270/Q2WH2S1K
					More data for this Ligand-Target Pair
NAD kinase (Homo sapiens (Human))	BDBM50208904 (CHEMBL3884876) Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CN=[N+]=[N-])[C@@H](O)[C@H]3O)c(SCC(=O)NCCc3ccc(Cl)c(Cl)c3)nc12 |r| Show InChI InChI=1S/C20H21Cl2N9O4S/c21-10-2-1-9(5-11(10)22)3-4-25-13(32)7-36-20-29-14-17(23)26-8-27-18(14)31(20)19-16(34)15(33)12(35-19)6-28-30-24/h1-2,5,8,12,15-16,19,33-34H,3-4,6-7H2,(H,25,32)(H2,23,26,27)/t12-,15-,16-,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
France; CNRS Curated by ChEMBL					Assay Description Inhibition of human NADK expressed in Escherichia coli BL21(DE3) assessed as reduction in NADP production using NAD as substrate by glucose-6-phospha...				Eur J Med Chem 124: 1041-1056 (2016) Article DOI: 10.1016/j.ejmech.2016.10.033 BindingDB Entry DOI: 10.7270/Q2WH2S1K
					More data for this Ligand-Target Pair
NAD kinase (Homo sapiens (Human))	BDBM50208740 (CHEMBL3885345) Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CN=[N+]=[N-])[C@@H](O)[C@H]3O)c(SCC(=O)NCCc3ccc4ccccc4c3)nc12 |r| Show InChI InChI=1S/C24H25N9O4S/c25-21-18-22(29-12-28-21)33(23-20(36)19(35)16(37-23)10-30-32-26)24(31-18)38-11-17(34)27-8-7-13-5-6-14-3-1-2-4-15(14)9-13/h1-6,9,12,16,19-20,23,35-36H,7-8,10-11H2,(H,27,34)(H2,25,28,29)/t16-,19-,20-,23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
France; CNRS Curated by ChEMBL					Assay Description Inhibition of human NADK expressed in Escherichia coli BL21(DE3) assessed as reduction in NADP production using NAD as substrate by glucose-6-phospha...				Eur J Med Chem 124: 1041-1056 (2016) Article DOI: 10.1016/j.ejmech.2016.10.033 BindingDB Entry DOI: 10.7270/Q2WH2S1K
					More data for this Ligand-Target Pair
NAD kinase (Homo sapiens (Human))	BDBM50208805 (CHEMBL3883397) Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CN=[N+]=[N-])[C@@H](O)[C@H]3O)c(SCC(=O)NCCc3c[nH]c4ccccc34)nc12 |r| Show InChI InChI=1S/C22H24N10O4S/c23-19-16-20(28-10-27-19)32(21-18(35)17(34)14(36-21)8-29-31-24)22(30-16)37-9-15(33)25-6-5-11-7-26-13-4-2-1-3-12(11)13/h1-4,7,10,14,17-18,21,26,34-35H,5-6,8-9H2,(H,25,33)(H2,23,27,28)/t14-,17-,18-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	1.40E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
France; CNRS Curated by ChEMBL					Assay Description Inhibition of human NADK expressed in Escherichia coli BL21(DE3) assessed as reduction in NADP production using NAD as substrate by glucose-6-phospha...				Eur J Med Chem 124: 1041-1056 (2016) Article DOI: 10.1016/j.ejmech.2016.10.033 BindingDB Entry DOI: 10.7270/Q2WH2S1K
					More data for this Ligand-Target Pair
NAD kinase (Homo sapiens (Human))	BDBM50208745 (CHEMBL3884239) Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CN=[N+]=[N-])[C@@H](O)[C@H]3O)c(SCC(=O)NCC#C)nc12 |r| Show InChI InChI=1S/C15H17N9O4S/c1-2-3-18-8(25)5-29-15-22-9-12(16)19-6-20-13(9)24(15)14-11(27)10(26)7(28-14)4-21-23-17/h1,6-7,10-11,14,26-27H,3-5H2,(H,18,25)(H2,16,19,20)/t7-,10-,11-,14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
France; CNRS Curated by ChEMBL					Assay Description Inhibition of human NADK expressed in Escherichia coli BL21(DE3) assessed as reduction in NADP production using NAD as substrate by glucose-6-phospha...				Eur J Med Chem 124: 1041-1056 (2016) Article DOI: 10.1016/j.ejmech.2016.10.033 BindingDB Entry DOI: 10.7270/Q2WH2S1K
					More data for this Ligand-Target Pair
NAD kinase (Homo sapiens (Human))	BDBM50208743 (CHEMBL3884081) Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CN=[N+]=[N-])[C@@H](O)[C@H]3O)c(SCC(=O)NCCCc3ccccc3)nc12 |r| Show InChI InChI=1S/C21H25N9O4S/c22-18-15-19(26-11-25-18)30(20-17(33)16(32)13(34-20)9-27-29-23)21(28-15)35-10-14(31)24-8-4-7-12-5-2-1-3-6-12/h1-3,5-6,11,13,16-17,20,32-33H,4,7-10H2,(H,24,31)(H2,22,25,26)/t13-,16-,17-,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
France; CNRS Curated by ChEMBL					Assay Description Inhibition of human NADK expressed in Escherichia coli BL21(DE3) assessed as reduction in NADP production using NAD as substrate by glucose-6-phospha...				Eur J Med Chem 124: 1041-1056 (2016) Article DOI: 10.1016/j.ejmech.2016.10.033 BindingDB Entry DOI: 10.7270/Q2WH2S1K
					More data for this Ligand-Target Pair
NAD kinase (Homo sapiens (Human))	BDBM50208737 (CHEMBL3884746) Show SMILES CN(C)S(=O)(=O)NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1c(SCC(=O)NCCc2ccc(Cl)c(Cl)c2)nc2c(N)ncnc12 |r| Show InChI InChI=1S/C22H28Cl2N8O6S2/c1-31(2)40(36,37)29-8-14-17(34)18(35)21(38-14)32-20-16(19(25)27-10-28-20)30-22(32)39-9-15(33)26-6-5-11-3-4-12(23)13(24)7-11/h3-4,7,10,14,17-18,21,29,34-35H,5-6,8-9H2,1-2H3,(H,26,33)(H2,25,27,28)/t14-,17-,18-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
France; CNRS Curated by ChEMBL					Assay Description Inhibition of human NADK expressed in Escherichia coli BL21(DE3) assessed as reduction in NADP production using NAD as substrate by glucose-6-phospha...				Eur J Med Chem 124: 1041-1056 (2016) Article DOI: 10.1016/j.ejmech.2016.10.033 BindingDB Entry DOI: 10.7270/Q2WH2S1K
					More data for this Ligand-Target Pair
NAD kinase (Homo sapiens (Human))	BDBM50208779 (CHEMBL3884775) Show SMILES COc1ccc2[nH]cc(CCNC(=O)CSc3nc4c(N)ncnc4n3[C@@H]3O[C@H](CN=[N+]=[N-])[C@@H](O)[C@H]3O)c2c1 |r| Show InChI InChI=1S/C23H26N10O5S/c1-37-12-2-3-14-13(6-12)11(7-27-14)4-5-26-16(34)9-39-23-31-17-20(24)28-10-29-21(17)33(23)22-19(36)18(35)15(38-22)8-30-32-25/h2-3,6-7,10,15,18-19,22,27,35-36H,4-5,8-9H2,1H3,(H,26,34)(H2,24,28,29)/t15-,18-,19-,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.60E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
France; CNRS Curated by ChEMBL					Assay Description Inhibition of human NADK expressed in Escherichia coli BL21(DE3) assessed as reduction in NADP production using NAD as substrate by glucose-6-phospha...				Eur J Med Chem 124: 1041-1056 (2016) Article DOI: 10.1016/j.ejmech.2016.10.033 BindingDB Entry DOI: 10.7270/Q2WH2S1K
					More data for this Ligand-Target Pair
NAD kinase (Homo sapiens (Human))	BDBM50208795 (CHEMBL3885356) Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1c(SCC(=O)NCCc2ccc(Cl)c(Cl)c2)nc2c(N)ncnc12 |r| Show InChI InChI=1S/C20H22Cl2N6O4S/c1-9-15(30)16(31)19(32-9)28-18-14(17(23)25-8-26-18)27-20(28)33-7-13(29)24-5-4-10-2-3-11(21)12(22)6-10/h2-3,6,8-9,15-16,19,30-31H,4-5,7H2,1H3,(H,24,29)(H2,23,25,26)/t9-,15-,16-,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
France; CNRS Curated by ChEMBL					Assay Description Inhibition of human NADK expressed in Escherichia coli BL21(DE3) assessed as reduction in NADP production using NAD as substrate by glucose-6-phospha...				Eur J Med Chem 124: 1041-1056 (2016) Article DOI: 10.1016/j.ejmech.2016.10.033 BindingDB Entry DOI: 10.7270/Q2WH2S1K
					More data for this Ligand-Target Pair
NAD kinase (Homo sapiens (Human))	BDBM50208735 (CHEMBL3884857) Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(SCC(=O)NCCc3cccc(Cl)c3)nc12 |r| Show InChI InChI=1S/C20H23ClN6O5S/c21-11-3-1-2-10(6-11)4-5-23-13(29)8-33-20-26-14-17(22)24-9-25-18(14)27(20)19-16(31)15(30)12(7-28)32-19/h1-3,6,9,12,15-16,19,28,30-31H,4-5,7-8H2,(H,23,29)(H2,22,24,25)/t12-,15-,16-,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
France; CNRS Curated by ChEMBL					Assay Description Inhibition of human NADK expressed in Escherichia coli BL21(DE3) assessed as reduction in NADP production using NAD as substrate by glucose-6-phospha...				Eur J Med Chem 124: 1041-1056 (2016) Article DOI: 10.1016/j.ejmech.2016.10.033 BindingDB Entry DOI: 10.7270/Q2WH2S1K
					More data for this Ligand-Target Pair
NAD kinase (Homo sapiens (Human))	BDBM50208774 (CHEMBL3885310) Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CN=[N+]=[N-])[C@@H](O)[C@H]3O)c(SCC(=O)NCCc3ccc(Cl)cc3)nc12 |r| Show InChI InChI=1S/C20H22ClN9O4S/c21-11-3-1-10(2-4-11)5-6-24-13(31)8-35-20-28-14-17(22)25-9-26-18(14)30(20)19-16(33)15(32)12(34-19)7-27-29-23/h1-4,9,12,15-16,19,32-33H,5-8H2,(H,24,31)(H2,22,25,26)/t12-,15-,16-,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
France; CNRS Curated by ChEMBL					Assay Description Inhibition of human NADK expressed in Escherichia coli BL21(DE3) assessed as reduction in NADP production using NAD as substrate by glucose-6-phospha...				Eur J Med Chem 124: 1041-1056 (2016) Article DOI: 10.1016/j.ejmech.2016.10.033 BindingDB Entry DOI: 10.7270/Q2WH2S1K
					More data for this Ligand-Target Pair
NAD kinase (Homo sapiens (Human))	BDBM50208874 (CHEMBL3883624) Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CN=[N+]=[N-])[C@@H](O)[C@H]3O)c(SCC(=O)NCc3ccnc(Cl)c3)nc12 |r| Show InChI InChI=1S/C18H19ClN10O4S/c19-10-3-8(1-2-22-10)4-23-11(30)6-34-18-27-12-15(20)24-7-25-16(12)29(18)17-14(32)13(31)9(33-17)5-26-28-21/h1-3,7,9,13-14,17,31-32H,4-6H2,(H,23,30)(H2,20,24,25)/t9-,13-,14-,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.20E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
France; CNRS Curated by ChEMBL					Assay Description Inhibition of human NADK expressed in Escherichia coli BL21(DE3) assessed as reduction in NADP production using NAD as substrate by glucose-6-phospha...				Eur J Med Chem 124: 1041-1056 (2016) Article DOI: 10.1016/j.ejmech.2016.10.033 BindingDB Entry DOI: 10.7270/Q2WH2S1K
					More data for this Ligand-Target Pair
NAD kinase (Homo sapiens (Human))	BDBM50208781 (CHEMBL3883763) Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CN=[N+]=[N-])[C@@H](O)[C@H]3O)c(SCC(=O)NCCc3ccc(cc3)C(F)(F)F)nc12 |r| Show InChI InChI=1S/C21H22F3N9O4S/c22-21(23,24)11-3-1-10(2-4-11)5-6-27-13(34)8-38-20-31-14-17(25)28-9-29-18(14)33(20)19-16(36)15(35)12(37-19)7-30-32-26/h1-4,9,12,15-16,19,35-36H,5-8H2,(H,27,34)(H2,25,28,29)/t12-,15-,16-,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
France; CNRS Curated by ChEMBL					Assay Description Inhibition of human NADK expressed in Escherichia coli BL21(DE3) assessed as reduction in NADP production using NAD as substrate by glucose-6-phospha...				Eur J Med Chem 124: 1041-1056 (2016) Article DOI: 10.1016/j.ejmech.2016.10.033 BindingDB Entry DOI: 10.7270/Q2WH2S1K
					More data for this Ligand-Target Pair
NAD kinase (Homo sapiens (Human))	BDBM50208773 (CHEMBL3884901) Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(SCC(=O)NCCc3ccc(Br)cc3)nc12 |r| Show InChI InChI=1S/C20H23BrN6O5S/c21-11-3-1-10(2-4-11)5-6-23-13(29)8-33-20-26-14-17(22)24-9-25-18(14)27(20)19-16(31)15(30)12(7-28)32-19/h1-4,9,12,15-16,19,28,30-31H,5-8H2,(H,23,29)(H2,22,24,25)/t12-,15-,16-,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.50E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
France; CNRS Curated by ChEMBL					Assay Description Inhibition of human NADK expressed in Escherichia coli BL21(DE3) assessed as reduction in NADP production using NAD as substrate by glucose-6-phospha...				Eur J Med Chem 124: 1041-1056 (2016) Article DOI: 10.1016/j.ejmech.2016.10.033 BindingDB Entry DOI: 10.7270/Q2WH2S1K
					More data for this Ligand-Target Pair
NAD kinase (Homo sapiens (Human))	BDBM50208775 (CHEMBL3884119) Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CN=[N+]=[N-])[C@@H](O)[C@H]3O)c(SCC(=O)NCCc3cccc(c3)C(F)(F)F)nc12 |r| Show InChI InChI=1S/C21H22F3N9O4S/c22-21(23,24)11-3-1-2-10(6-11)4-5-27-13(34)8-38-20-31-14-17(25)28-9-29-18(14)33(20)19-16(36)15(35)12(37-19)7-30-32-26/h1-3,6,9,12,15-16,19,35-36H,4-5,7-8H2,(H,27,34)(H2,25,28,29)/t12-,15-,16-,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
France; CNRS Curated by ChEMBL					Assay Description Inhibition of human NADK expressed in Escherichia coli BL21(DE3) assessed as reduction in NADP production using NAD as substrate by glucose-6-phospha...				Eur J Med Chem 124: 1041-1056 (2016) Article DOI: 10.1016/j.ejmech.2016.10.033 BindingDB Entry DOI: 10.7270/Q2WH2S1K
					More data for this Ligand-Target Pair
NAD kinase (Homo sapiens (Human))	BDBM50208742 (CHEMBL3884982) Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CN=[N+]=[N-])[C@@H](O)[C@H]3O)c(SCC(=O)NCCc3cccc(Br)c3)nc12 |r| Show InChI InChI=1S/C20H22BrN9O4S/c21-11-3-1-2-10(6-11)4-5-24-13(31)8-35-20-28-14-17(22)25-9-26-18(14)30(20)19-16(33)15(32)12(34-19)7-27-29-23/h1-3,6,9,12,15-16,19,32-33H,4-5,7-8H2,(H,24,31)(H2,22,25,26)/t12-,15-,16-,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	3.30E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
France; CNRS Curated by ChEMBL					Assay Description Inhibition of human NADK expressed in Escherichia coli BL21(DE3) assessed as reduction in NADP production using NAD as substrate by glucose-6-phospha...				Eur J Med Chem 124: 1041-1056 (2016) Article DOI: 10.1016/j.ejmech.2016.10.033 BindingDB Entry DOI: 10.7270/Q2WH2S1K
					More data for this Ligand-Target Pair
NAD kinase (Homo sapiens (Human))	BDBM50208734 (CHEMBL3883980) Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(SCC(=O)NCCc3cccc(Br)c3)nc12 |r| Show InChI InChI=1S/C20H23BrN6O5S/c21-11-3-1-2-10(6-11)4-5-23-13(29)8-33-20-26-14-17(22)24-9-25-18(14)27(20)19-16(31)15(30)12(7-28)32-19/h1-3,6,9,12,15-16,19,28,30-31H,4-5,7-8H2,(H,23,29)(H2,22,24,25)/t12-,15-,16-,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	3.35E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
France; CNRS Curated by ChEMBL					Assay Description Inhibition of human NADK expressed in Escherichia coli BL21(DE3) assessed as reduction in NADP production using NAD as substrate by glucose-6-phospha...				Eur J Med Chem 124: 1041-1056 (2016) Article DOI: 10.1016/j.ejmech.2016.10.033 BindingDB Entry DOI: 10.7270/Q2WH2S1K
					More data for this Ligand-Target Pair
NAD kinase (Homo sapiens (Human))	BDBM50208738 (CHEMBL3885227) Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CN=[N+]=[N-])[C@@H](O)[C@H]3O)c(SCC(=O)NCCc3ccccc3)nc12 |r| Show InChI InChI=1S/C20H23N9O4S/c21-17-14-18(25-10-24-17)29(19-16(32)15(31)12(33-19)8-26-28-22)20(27-14)34-9-13(30)23-7-6-11-4-2-1-3-5-11/h1-5,10,12,15-16,19,31-32H,6-9H2,(H,23,30)(H2,21,24,25)/t12-,15-,16-,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.50E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
France; CNRS Curated by ChEMBL					Assay Description Inhibition of human NADK expressed in Escherichia coli BL21(DE3) assessed as reduction in NADP production using NAD as substrate by glucose-6-phospha...				Eur J Med Chem 124: 1041-1056 (2016) Article DOI: 10.1016/j.ejmech.2016.10.033 BindingDB Entry DOI: 10.7270/Q2WH2S1K
					More data for this Ligand-Target Pair
NAD kinase (Homo sapiens (Human))	BDBM50208744 (CHEMBL3885137) Show SMILES Cn1cc(CCNC(=O)CSc2nc3c(N)ncnc3n2[C@@H]2O[C@H](CN=[N+]=[N-])[C@@H](O)[C@H]2O)c2ccccc12 |r| Show InChI InChI=1S/C23H26N10O4S/c1-32-9-12(13-4-2-3-5-14(13)32)6-7-26-16(34)10-38-23-30-17-20(24)27-11-28-21(17)33(23)22-19(36)18(35)15(37-22)8-29-31-25/h2-5,9,11,15,18-19,22,35-36H,6-8,10H2,1H3,(H,26,34)(H2,24,27,28)/t15-,18-,19-,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.50E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
France; CNRS Curated by ChEMBL					Assay Description Inhibition of human NADK expressed in Escherichia coli BL21(DE3) assessed as reduction in NADP production using NAD as substrate by glucose-6-phospha...				Eur J Med Chem 124: 1041-1056 (2016) Article DOI: 10.1016/j.ejmech.2016.10.033 BindingDB Entry DOI: 10.7270/Q2WH2S1K
					More data for this Ligand-Target Pair
NAD kinase (Homo sapiens (Human))	BDBM50208776 (CHEMBL3883970) Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(SCC(=O)NCCc3ccc(Cl)c(Cl)c3)nc12 |r| Show InChI InChI=1S/C20H22Cl2N6O5S/c21-10-2-1-9(5-11(10)22)3-4-24-13(30)7-34-20-27-14-17(23)25-8-26-18(14)28(20)19-16(32)15(31)12(6-29)33-19/h1-2,5,8,12,15-16,19,29,31-32H,3-4,6-7H2,(H,24,30)(H2,23,25,26)/t12-,15-,16-,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.25E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
France; CNRS Curated by ChEMBL					Assay Description Inhibition of human NADK expressed in Escherichia coli BL21(DE3) assessed as reduction in NADP production using NAD as substrate by glucose-6-phospha...				Eur J Med Chem 124: 1041-1056 (2016) Article DOI: 10.1016/j.ejmech.2016.10.033 BindingDB Entry DOI: 10.7270/Q2WH2S1K
					More data for this Ligand-Target Pair
NAD kinase (Homo sapiens (Human))	BDBM50208777 (CHEMBL3883775) Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CN=[N+]=[N-])[C@@H](O)[C@H]3O)c(SCC(=O)NCCc3nc4ccccc4[nH]3)nc12 |r| Show InChI InChI=1S/C21H23N11O4S/c22-18-15-19(26-9-25-18)32(20-17(35)16(34)12(36-20)7-27-31-23)21(30-15)37-8-14(33)24-6-5-13-28-10-3-1-2-4-11(10)29-13/h1-4,9,12,16-17,20,34-35H,5-8H2,(H,24,33)(H,28,29)(H2,22,25,26)/t12-,16-,17-,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	5.25E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
France; CNRS Curated by ChEMBL					Assay Description Inhibition of human NADK expressed in Escherichia coli BL21(DE3) assessed as reduction in NADP production using NAD as substrate by glucose-6-phospha...				Eur J Med Chem 124: 1041-1056 (2016) Article DOI: 10.1016/j.ejmech.2016.10.033 BindingDB Entry DOI: 10.7270/Q2WH2S1K
					More data for this Ligand-Target Pair
NAD kinase (Homo sapiens (Human))	BDBM50208905 (CHEMBL3884652) Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(SCC(=O)NCCc3c[nH]c4ccc(Cl)cc34)nc12 |r| Show InChI InChI=1S/C22H24ClN7O5S/c23-11-1-2-13-12(5-11)10(6-26-13)3-4-25-15(32)8-36-22-29-16-19(24)27-9-28-20(16)30(22)21-18(34)17(33)14(7-31)35-21/h1-2,5-6,9,14,17-18,21,26,31,33-34H,3-4,7-8H2,(H,25,32)(H2,24,27,28)/t14-,17-,18-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.75E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
France; CNRS Curated by ChEMBL					Assay Description Inhibition of human NADK expressed in Escherichia coli BL21(DE3) assessed as reduction in NADP production using NAD as substrate by glucose-6-phospha...				Eur J Med Chem 124: 1041-1056 (2016) Article DOI: 10.1016/j.ejmech.2016.10.033 BindingDB Entry DOI: 10.7270/Q2WH2S1K
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50428286 (DABRAFENIB | GSK2118436A) Show SMILES CC(C)(C)c1nc(c(s1)-c1ccnc(N)n1)-c1cccc(NS(=O)(=O)c2c(F)cccc2F)c1F Show InChI InChI=1S/C23H20F3N5O2S2/c1-23(2,3)21-30-18(19(34-21)16-10-11-28-22(27)29-16)12-6-4-9-15(17(12)26)31-35(32,33)20-13(24)7-5-8-14(20)25/h4-11,31H,1-3H3,(H2,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01354 BindingDB Entry DOI: 10.7270/Q2474FZQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50602851 (CHEMBL5189539) Show SMILES Nc1nccc(n1)-c1sc(nc1-c1cccc(NS(=O)(=O)c2cc(F)ccc2F)c1F)C1CCCN1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01354 BindingDB Entry DOI: 10.7270/Q2474FZQ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50602852 (CHEMBL5201169) Show SMILES Nc1nccc(n1)-c1sc(nc1-c1cccc(NS(=O)(=O)c2cc(F)ccc2F)c1F)C1CCCCN1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01354 BindingDB Entry DOI: 10.7270/Q2474FZQ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50602855 (CHEMBL5176494) Show SMILES Nc1nccc(n1)-c1sc(nc1-c1cc(Cl)cc(NS(=O)(=O)c2cc(F)ccc2F)c1F)C1COCCN1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01354 BindingDB Entry DOI: 10.7270/Q2474FZQ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50602850 (CHEMBL5203353) Show SMILES Nc1nccc(n1)-c1sc(nc1-c1cccc(NS(=O)(=O)c2cc(F)ccc2F)c1F)C1CCN1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01354 BindingDB Entry DOI: 10.7270/Q2474FZQ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50602854 (CHEMBL5202550) Show SMILES CC(C)(C)c1nc(c(s1)-c1ccnc(N)n1)-c1cc(Cl)cc(NS(=O)(=O)c2cc(F)ccc2F)c1F Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01354 BindingDB Entry DOI: 10.7270/Q2474FZQ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50602856 (CHEMBL5183233) Show SMILES Nc1nccc(n1)-c1sc(nc1-c1cccc(NS(=O)(=O)c2cc(F)ccc2F)c1F)C1CCN(CC1)C1CC1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01354 BindingDB Entry DOI: 10.7270/Q2474FZQ
					More data for this Ligand-Target Pair

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