Compile Data Set for Download or QSAR

Found 1034 hits with Last Name = 'hori' and Initial = 'a'   

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
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM16673 (4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...) Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	0.0210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Inhibition of human N-terminal His-tagged non-phosphorylated VEGFR2 after 60 mins by activity based 100 fold dilution assay				Bioorg Med Chem 19: 5342-51 (2011) Article DOI: 10.1016/j.bmc.2011.08.002 BindingDB Entry DOI: 10.7270/Q21R6QW4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50327046 (1-(2-fluoro-4-(5-methyl-5H-pyrrolo[3,2-d]pyrimidin...) Show SMILES Cn1ccc2ncnc(Oc3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)c(F)c3)c12 Show InChI InChI=1S/C21H15F4N5O2/c1-30-8-7-17-18(30)19(27-11-26-17)32-14-5-6-16(15(22)10-14)29-20(31)28-13-4-2-3-12(9-13)21(23,24)25/h2-11H,1H3,(H2,28,29,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.0240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Inhibition of human N-terminal His-tagged non-phosphorylated VEGFR2 after 60 mins by activity based 100 fold dilution assay				Bioorg Med Chem 19: 5342-51 (2011) Article DOI: 10.1016/j.bmc.2011.08.002 BindingDB Entry DOI: 10.7270/Q21R6QW4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50327046 (1-(2-fluoro-4-(5-methyl-5H-pyrrolo[3,2-d]pyrimidin...) Show SMILES Cn1ccc2ncnc(Oc3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)c(F)c3)c12 Show InChI InChI=1S/C21H15F4N5O2/c1-30-8-7-17-18(30)19(27-11-26-17)32-14-5-6-16(15(22)10-14)29-20(31)28-13-4-2-3-12(9-13)21(23,24)25/h2-11H,1H3,(H2,28,29,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.0440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Inhibition of human N-terminal His-tagged non-phosphorylated VEGFR2 after 60 mins by ligand displacement based enzyme-inhibitor dilution assay				Bioorg Med Chem 19: 5342-51 (2011) Article DOI: 10.1016/j.bmc.2011.08.002 BindingDB Entry DOI: 10.7270/Q21R6QW4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM16673 (4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...) Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Inhibition of human N-terminal His-tagged non-phosphorylated VEGFR2 after 60 mins by ligand displacement based enzyme-inhibitor dilution assay				Bioorg Med Chem 19: 5342-51 (2011) Article DOI: 10.1016/j.bmc.2011.08.002 BindingDB Entry DOI: 10.7270/Q21R6QW4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50059889 ((staurosporine)3-methoxy-2-methyl-4-methylamino-(2...) Show SMILES CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20?,26-,28+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Inhibition of human N-terminal His-tagged non-phosphorylated VEGFR2 after 10 mins by Global fit analysis				Bioorg Med Chem 19: 5342-51 (2011) Article DOI: 10.1016/j.bmc.2011.08.002 BindingDB Entry DOI: 10.7270/Q21R6QW4
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM4814 (CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...) Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Inhibition of human N-terminal His-tagged non-phosphorylated VEGFR2 after 10 mins by Global fit analysis				Bioorg Med Chem 19: 5342-51 (2011) Article DOI: 10.1016/j.bmc.2011.08.002 BindingDB Entry DOI: 10.7270/Q21R6QW4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50327046 (1-(2-fluoro-4-(5-methyl-5H-pyrrolo[3,2-d]pyrimidin...) Show SMILES Cn1ccc2ncnc(Oc3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)c(F)c3)c12 Show InChI InChI=1S/C21H15F4N5O2/c1-30-8-7-17-18(30)19(27-11-26-17)32-14-5-6-16(15(22)10-14)29-20(31)28-13-4-2-3-12(9-13)21(23,24)25/h2-11H,1H3,(H2,28,29,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Inhibition of human N-terminal His-tagged non-phosphorylated VEGFR2 after 10 mins by Global fit analysis				Bioorg Med Chem 19: 5342-51 (2011) Article DOI: 10.1016/j.bmc.2011.08.002 BindingDB Entry DOI: 10.7270/Q21R6QW4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM16673 (4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...) Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Inhibition of human N-terminal His-tagged non-phosphorylated VEGFR2 after 10 mins by Global fit analysis				Bioorg Med Chem 19: 5342-51 (2011) Article DOI: 10.1016/j.bmc.2011.08.002 BindingDB Entry DOI: 10.7270/Q21R6QW4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50327046 (1-(2-fluoro-4-(5-methyl-5H-pyrrolo[3,2-d]pyrimidin...) Show SMILES Cn1ccc2ncnc(Oc3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)c(F)c3)c12 Show InChI InChI=1S/C21H15F4N5O2/c1-30-8-7-17-18(30)19(27-11-26-17)32-14-5-6-16(15(22)10-14)29-20(31)28-13-4-2-3-12(9-13)21(23,24)25/h2-11H,1H3,(H2,28,29,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Inhibition of human N-terminal His-tagged phosphorylated VEGFR2 in presence of ATP measured without preincubation by AlphaScreen analysis				Bioorg Med Chem 19: 5342-51 (2011) Article DOI: 10.1016/j.bmc.2011.08.002 BindingDB Entry DOI: 10.7270/Q21R6QW4
					More data for this Ligand-Target Pair				3D Structure (crystal)
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
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50389606 (CHEMBL2069625) Show SMILES Cc1oc(nc1COc1cccc(CO)c1)-c1ccccc1 Show InChI InChI=1S/C18H17NO3/c1-13-17(12-21-16-9-5-6-14(10-16)11-20)19-18(22-13)15-7-3-2-4-8-15/h2-10,20H,11-12H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem	PDB Article PubMed	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human unphosphorylated N-terminal-His6 tagged VEGFR2 catalytic domain using 5-FAM-EEPLYWSFPAKKK-CONH2 as substrate after 60 mins by mob...				ACS Med Chem Lett 3: 342-346 (2012) Article DOI: 10.1021/ml3000403 BindingDB Entry DOI: 10.7270/Q2FN1782
					More data for this Ligand-Target Pair				3D Structure (crystal)
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))	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))	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))	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))	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))	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))	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))	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))	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
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50327046 (1-(2-fluoro-4-(5-methyl-5H-pyrrolo[3,2-d]pyrimidin...) Show SMILES Cn1ccc2ncnc(Oc3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)c(F)c3)c12 Show InChI InChI=1S/C21H15F4N5O2/c1-30-8-7-17-18(30)19(27-11-26-17)32-14-5-6-16(15(22)10-14)29-20(31)28-13-4-2-3-12(9-13)21(23,24)25/h2-11H,1H3,(H2,28,29,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.0330	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Inhibition of human N-terminal His-tagged non-phosphorylated VEGFR2 preincubated for 120 mins in presence of ATP by AlphaScreen analysis				Bioorg Med Chem 19: 5342-51 (2011) Article DOI: 10.1016/j.bmc.2011.08.002 BindingDB Entry DOI: 10.7270/Q21R6QW4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50399537 (CHEMBL2180604) Show SMILES Cc1cc(C(=O)Nc2cc(Oc3ccc4nc(NC(=O)C5CC5)cn4n3)ccc2C)n(C)n1 Show InChI InChI=1S/C23H23N7O3/c1-13-4-7-16(11-17(13)24-23(32)18-10-14(2)27-29(18)3)33-21-9-8-20-25-19(12-30(20)28-21)26-22(31)15-5-6-15/h4,7-12,15H,5-6H2,1-3H3,(H,24,32)(H,26,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0930	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of VEGFR2 (unknown origin) using biotinylated poly(Glu:Tyr) as substrate after 60 mins by AlphaScreen assay in presence of 1000 uM of ATP				Bioorg Med Chem 21: 2333-45 (2013) Article DOI: 10.1016/j.bmc.2013.01.074 BindingDB Entry DOI: 10.7270/Q22B90C1
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM16673 (4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...) Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	0.160	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Inhibition of human N-terminal His-tagged non-phosphorylated VEGFR2 preincubated for 120 mins in presence of ATP by AlphaScreen analysis				Bioorg Med Chem 19: 5342-51 (2011) Article DOI: 10.1016/j.bmc.2011.08.002 BindingDB Entry DOI: 10.7270/Q21R6QW4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Somatostatin receptor type 2 (Homo sapiens (Human))	BDBM50451372 (CHEMBL4217405) Show SMILES C[C@H]([C@@H](NC(=O)N1CCN(C(=O)C1)c1ccc(F)cc1C)C(=O)Nc1cc(CN(C)C)ccc1OC(F)(F)F)c1c[nH]c2ccccc12 |r| Show InChI InChI=1S/C34H36F4N6O4/c1-20-15-23(35)10-11-28(20)44-14-13-43(19-30(44)45)33(47)41-31(21(2)25-17-39-26-8-6-5-7-24(25)26)32(46)40-27-16-22(18-42(3)4)9-12-29(27)48-34(36,37)38/h5-12,15-17,21,31,39H,13-14,18-19H2,1-4H3,(H,40,46)(H,41,47)/t21-,31+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.170	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of [125I]somatostatin-14 (Tyr11) from human SSTR2 expressed in CHO dhfr cell membranes after 60 mins by TopCount scintillation counting ...				Bioorg Med Chem 25: 5995-6006 (2017) Article DOI: 10.1016/j.bmc.2017.09.031 BindingDB Entry DOI: 10.7270/Q2PR7ZK8
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50432398 (CHEMBL2348996) Show SMILES Cc1cc(C(=O)Nc2cccc(Oc3ccc4nc(NC(=O)C5CC5)cn4n3)c2)n(C)n1 Show InChI InChI=1S/C22H21N7O3/c1-13-10-17(28(2)26-13)22(31)23-15-4-3-5-16(11-15)32-20-9-8-19-24-18(12-29(19)27-20)25-21(30)14-6-7-14/h3-5,8-12,14H,6-7H2,1-2H3,(H,23,31)(H,25,30)	PDB MMDB NCI pathway 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	0.190	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of VEGFR2 (unknown origin) using biotinylated poly(Glu:Tyr) as substrate after 60 mins by AlphaScreen assay in presence of 1000 uM of ATP				Bioorg Med Chem 21: 2333-45 (2013) Article DOI: 10.1016/j.bmc.2013.01.074 BindingDB Entry DOI: 10.7270/Q22B90C1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Somatostatin receptor type 2 (Homo sapiens (Human))	BDBM50451394 (CHEMBL4205606) Show SMILES CCOc1ccc(CN(C)C)cc1NC(=O)[C@H](NC(=O)N1CCN(CC1)c1ccc(F)cc1)[C@@H](C)c1c[nH]c2ccccc12 |r| Show InChI InChI=1S/C34H41FN6O3/c1-5-44-31-15-10-24(22-39(3)4)20-30(31)37-33(42)32(23(2)28-21-36-29-9-7-6-8-27(28)29)38-34(43)41-18-16-40(17-19-41)26-13-11-25(35)12-14-26/h6-15,20-21,23,32,36H,5,16-19,22H2,1-4H3,(H,37,42)(H,38,43)/t23-,32+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of [125I]somatostatin-14 (Tyr11) from human SSTR2 expressed in CHO dhfr cell membranes after 60 mins by TopCount scintillation counting ...				Bioorg Med Chem 25: 5995-6006 (2017) Article DOI: 10.1016/j.bmc.2017.09.031 BindingDB Entry DOI: 10.7270/Q2PR7ZK8
					More data for this Ligand-Target Pair
Somatostatin receptor type 2 (Homo sapiens (Human))	BDBM50451373 (CHEMBL4206924) Show SMILES CCOc1ccc(CN(C)C)cc1NC(=O)[C@H](NC(=O)N1CCC(CC1)c1ccccc1)[C@@H](C)c1c[nH]c2ccccc12 |r| Show InChI InChI=1S/C35H43N5O3/c1-5-43-32-16-15-25(23-39(3)4)21-31(32)37-34(41)33(24(2)29-22-36-30-14-10-9-13-28(29)30)38-35(42)40-19-17-27(18-20-40)26-11-7-6-8-12-26/h6-16,21-22,24,27,33,36H,5,17-20,23H2,1-4H3,(H,37,41)(H,38,42)/t24-,33+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of [125I]somatostatin-14 (Tyr11) from human SSTR2 expressed in CHO dhfr cell membranes after 60 mins by TopCount scintillation counting ...				Bioorg Med Chem 25: 5995-6006 (2017) Article DOI: 10.1016/j.bmc.2017.09.031 BindingDB Entry DOI: 10.7270/Q2PR7ZK8
					More data for this Ligand-Target Pair
Somatostatin receptor type 2 (Homo sapiens (Human))	BDBM50451392 (CHEMBL4214725) Show SMILES CCOc1ccc(CN(C)C)cc1NC(=O)[C@H](NC(=O)N1CCN(C(=O)C1)c1ccc(F)cc1)[C@@H](C)c1c[nH]c2ccccc12 |r| Show InChI InChI=1S/C34H39FN6O4/c1-5-45-30-15-10-23(20-39(3)4)18-29(30)37-33(43)32(22(2)27-19-36-28-9-7-6-8-26(27)28)38-34(44)40-16-17-41(31(42)21-40)25-13-11-24(35)12-14-25/h6-15,18-19,22,32,36H,5,16-17,20-21H2,1-4H3,(H,37,43)(H,38,44)/t22-,32+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of [125I]somatostatin-14 (Tyr11) from human SSTR2 expressed in CHO dhfr cell membranes after 60 mins by TopCount scintillation counting ...				Bioorg Med Chem 25: 5995-6006 (2017) Article DOI: 10.1016/j.bmc.2017.09.031 BindingDB Entry DOI: 10.7270/Q2PR7ZK8
					More data for this Ligand-Target Pair
Somatostatin receptor type 2 (Homo sapiens (Human))	BDBM50451391 (CHEMBL4212088) Show SMILES CCOc1ccc(CN(C)C)cc1NC(=O)[C@H](NC(=O)N1CCN(C(=O)C1)c1ccc(F)cc1C)[C@@H](C)c1c[nH]c2ccccc12 |r| Show InChI InChI=1S/C35H41FN6O4/c1-6-46-31-14-11-24(20-40(4)5)18-29(31)38-34(44)33(23(3)27-19-37-28-10-8-7-9-26(27)28)39-35(45)41-15-16-42(32(43)21-41)30-13-12-25(36)17-22(30)2/h7-14,17-19,23,33,37H,6,15-16,20-21H2,1-5H3,(H,38,44)(H,39,45)/t23-,33+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of [125I]somatostatin-14 (Tyr11) from human SSTR2 expressed in CHO dhfr cell membranes after 60 mins by TopCount scintillation counting ...				Bioorg Med Chem 25: 5995-6006 (2017) Article DOI: 10.1016/j.bmc.2017.09.031 BindingDB Entry DOI: 10.7270/Q2PR7ZK8
					More data for this Ligand-Target Pair
Somatostatin receptor type 2 (Homo sapiens (Human))	BDBM50451384 (CHEMBL4210064) Show SMILES C[C@H]([C@@H](NC(=O)N1CCN(C(=O)C1)c1ccc(F)cc1C)C(=O)Nc1cc(CN(C)C)ccc1C(C)=O)c1c[nH]c2ccccc12 |r| Show InChI InChI=1S/C35H39FN6O4/c1-21-16-25(36)11-13-31(21)42-15-14-41(20-32(42)44)35(46)39-33(22(2)28-18-37-29-9-7-6-8-27(28)29)34(45)38-30-17-24(19-40(4)5)10-12-26(30)23(3)43/h6-13,16-18,22,33,37H,14-15,19-20H2,1-5H3,(H,38,45)(H,39,46)/t22-,33+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.240	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of [125I]somatostatin-14 (Tyr11) from human SSTR2 expressed in CHO dhfr cell membranes after 60 mins by TopCount scintillation counting ...				Bioorg Med Chem 25: 5995-6006 (2017) Article DOI: 10.1016/j.bmc.2017.09.031 BindingDB Entry DOI: 10.7270/Q2PR7ZK8
					More data for this Ligand-Target Pair
Somatostatin receptor type 2 (Homo sapiens (Human))	BDBM50451385 (CHEMBL4205969) Show SMILES C[C@H]([C@@H](NC(=O)N1CCN(C(=O)C1)c1ccc(F)cc1)C(=O)Nc1cc(CN(C)C)ccc1C(C)=O)c1c[nH]c2ccccc12 |r| Show InChI InChI=1S/C34H37FN6O4/c1-21(28-18-36-29-8-6-5-7-27(28)29)32(33(44)37-30-17-23(19-39(3)4)9-14-26(30)22(2)42)38-34(45)40-15-16-41(31(43)20-40)25-12-10-24(35)11-13-25/h5-14,17-18,21,32,36H,15-16,19-20H2,1-4H3,(H,37,44)(H,38,45)/t21-,32+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.310	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of [125I]somatostatin-14 (Tyr11) from human SSTR2 expressed in CHO dhfr cell membranes after 60 mins by TopCount scintillation counting ...				Bioorg Med Chem 25: 5995-6006 (2017) Article DOI: 10.1016/j.bmc.2017.09.031 BindingDB Entry DOI: 10.7270/Q2PR7ZK8
					More data for this Ligand-Target Pair
Somatostatin receptor type 2 (Homo sapiens (Human))	BDBM50451382 (CHEMBL4205696) Show SMILES C[C@H]([C@@H](NC(=O)N1CCN(C(=O)C1)c1ccc(F)cc1)C(=O)Nc1cc(CN(C)C)ccc1OC(F)(F)F)c1c[nH]c2ccccc12 |r| Show InChI InChI=1S/C33H34F4N6O4/c1-20(25-17-38-26-7-5-4-6-24(25)26)30(31(45)39-27-16-21(18-41(2)3)8-13-28(27)47-33(35,36)37)40-32(46)42-14-15-43(29(44)19-42)23-11-9-22(34)10-12-23/h4-13,16-17,20,30,38H,14-15,18-19H2,1-3H3,(H,39,45)(H,40,46)/t20-,30+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.530	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of [125I]somatostatin-14 (Tyr11) from human SSTR2 expressed in CHO dhfr cell membranes after 60 mins by TopCount scintillation counting ...				Bioorg Med Chem 25: 5995-6006 (2017) Article DOI: 10.1016/j.bmc.2017.09.031 BindingDB Entry DOI: 10.7270/Q2PR7ZK8
					More data for this Ligand-Target Pair

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