Compile Data Set for Download or QSAR

Found 6 hits of ic50 for UniProtKB: P9WHV7   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
NAD kinase (Mycobacterium tuberculosis)	BDBM50295364 ((8-Bromoadenosine-5'-yl)(adenosine-5'-yl)disulfide...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSSC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2c(Br)nc3c(N)ncnc23)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C20H23BrN10O6S2/c21-20-29-9-15(23)25-4-27-17(9)31(20)19-13(35)11(33)7(37-19)2-39-38-1-6-10(32)12(34)18(36-6)30-5-28-8-14(22)24-3-26-16(8)30/h3-7,10-13,18-19,32-35H,1-2H2,(H2,22,24,26)(H2,23,25,27)/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis NAD kinase by modified HPLC based assay				Bioorg Med Chem 17: 5656-64 (2009) Article DOI: 10.1016/j.bmc.2009.06.013 BindingDB Entry DOI: 10.7270/Q2T153N2
					More data for this Ligand-Target Pair
NAD kinase (Mycobacterium tuberculosis)	BDBM50295365 (CHEMBL562056 | Di(8-bromoadenosine-5'-yl)disulfide) Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CSSC[C@H]4O[C@H]([C@H](O)[C@@H]4O)n4c(Br)nc5c(N)ncnc45)[C@@H](O)[C@H]3O)c(Br)nc12 |r| Show InChI InChI=1S/C20H22Br2N10O6S2/c21-19-29-7-13(23)25-3-27-15(7)31(19)17-11(35)9(33)5(37-17)1-39-40-2-6-10(34)12(36)18(38-6)32-16-8(30-20(32)22)14(24)26-4-28-16/h3-6,9-12,17-18,33-36H,1-2H2,(H2,23,25,27)(H2,24,26,28)/t5-,6-,9-,10-,11-,12-,17-,18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis NAD kinase by modified HPLC based assay				Bioorg Med Chem 17: 5656-64 (2009) Article DOI: 10.1016/j.bmc.2009.06.013 BindingDB Entry DOI: 10.7270/Q2T153N2
					More data for this Ligand-Target Pair
NAD kinase (Mycobacterium tuberculosis)	BDBM50295362 ((2S,3S,4R,5R,2'S,3'S,4'R,5'R)-2,2'-[DITHIOBIS(METH...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSSC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C20H24N10O6S2/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(35-19)1-37-38-2-8-12(32)14(34)20(36-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	4.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis NAD kinase by modified HPLC based assay				Bioorg Med Chem 17: 5656-64 (2009) Article DOI: 10.1016/j.bmc.2009.06.013 BindingDB Entry DOI: 10.7270/Q2T153N2
					More data for this Ligand-Target Pair
NAD kinase (Mycobacterium tuberculosis)	BDBM50295363 ((tiazofurin-5'-yl)(adenosin-5'-yl)disulfide | CHEM...) Show SMILES NC(=O)c1csc(n1)[C@@H]1O[C@H](CSSC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C19H23N7O7S3/c20-15-9-17(23-4-22-15)26(5-24-9)19-13(30)11(28)8(33-19)3-36-35-2-7-10(27)12(29)14(32-7)18-25-6(1-34-18)16(21)31/h1,4-5,7-8,10-14,19,27-30H,2-3H2,(H2,21,31)(H2,20,22,23)/t7-,8-,10-,11-,12-,13-,14-,19-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis NAD kinase by modified HPLC based assay				Bioorg Med Chem 17: 5656-64 (2009) Article DOI: 10.1016/j.bmc.2009.06.013 BindingDB Entry DOI: 10.7270/Q2T153N2
					More data for this Ligand-Target Pair
NAD kinase (Mycobacterium tuberculosis)	BDBM50203628 (Benzamide adenine dinucleotide | CHEMBL233434 | be...) Show SMILES NC(=O)c1cccc(c1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |w:18.19,14.15| Show InChI InChI=1S/C22H28N6O14P2/c23-19-13-21(26-7-25-19)28(8-27-13)22-17(32)15(30)12(41-22)6-39-44(36,37)42-43(34,35)38-5-11-14(29)16(31)18(40-11)9-2-1-3-10(4-9)20(24)33/h1-4,7-8,11-12,14-18,22,29-32H,5-6H2,(H2,24,33)(H,34,35)(H,36,37)(H2,23,25,26)/t11-,12-,14-,15-,16-,17-,18+,22-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis NAD kinase by modified HPLC based assay				Bioorg Med Chem 17: 5656-64 (2009) Article DOI: 10.1016/j.bmc.2009.06.013 BindingDB Entry DOI: 10.7270/Q2T153N2
					More data for this Ligand-Target Pair
NAD kinase (Mycobacterium tuberculosis)	BDBM50295366 (CHEMBL558497 | Di(2'-C-methyladenosine-5'-yl)disul...) Show SMILES C[C@@]1(O)[C@H](O)[C@@H](CSSC[C@H]2O[C@@H](n3cnc4c(N)ncnc34)[C@](C)(O)[C@@H]2O)O[C@H]1n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C22H28N10O6S2/c1-21(35)13(33)9(37-19(21)31-7-29-11-15(23)25-5-27-17(11)31)3-39-40-4-10-14(34)22(2,36)20(38-10)32-8-30-12-16(24)26-6-28-18(12)32/h5-10,13-14,19-20,33-36H,3-4H2,1-2H3,(H2,23,25,27)(H2,24,26,28)/t9-,10-,13-,14-,19-,20-,21-,22-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis NAD kinase by modified HPLC based assay				Bioorg Med Chem 17: 5656-64 (2009) Article DOI: 10.1016/j.bmc.2009.06.013 BindingDB Entry DOI: 10.7270/Q2T153N2
					More data for this Ligand-Target Pair