Compile Data Set for Download or QSAR

Found 35 hits with Last Name = 'tan' and Initial = 'ds'   

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
Anthranilate--CoA ligase (Pseudomonas aeruginosa (Gram- Bacteria))	BDBM205460 (Salicyl-AMS (3)) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)[N-]C(=O)c2ccccc2O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C17H18N6O8S/c18-14-11-15(20-6-19-14)23(7-21-11)17-13(26)12(25)10(31-17)5-30-32(28,29)22-16(27)8-3-1-2-4-9(8)24/h1-4,6-7,10,12-13,17,25-26H,5H2,(H4,18,19,20,22,24,27)/p-1/t10-,12-,13-,17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	88	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/a
East Carolina University					Assay Description Reactions were performed at 37 °C in a 0.5 mL volume in a Varian Cary 100 UV-visible spectrophotometer with Cary WinUV software. Reaction mixtures co...				ACS Chem Biol 11: 3061-3067 (2016) Article DOI: 10.1021/acschembio.6b00575 BindingDB Entry DOI: 10.7270/Q2M61J25
					More data for this Ligand-Target Pair
Anthranilate--CoA ligase (Pseudomonas aeruginosa (Gram- Bacteria))	BDBM205461 (Salicyl-AMSN (4)) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CNS(=O)(=O)[N-]C(=O)c2ccccc2O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C17H19N7O7S/c18-14-11-15(20-6-19-14)24(7-21-11)17-13(27)12(26)10(31-17)5-22-32(29,30)23-16(28)8-3-1-2-4-9(8)25/h1-4,6-7,10,12-13,17,22,26-27H,5H2,(H4,18,19,20,23,25,28)/p-1/t10-,12-,13-,17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	109	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/a
East Carolina University					Assay Description Reactions were performed at 37 °C in a 0.5 mL volume in a Varian Cary 100 UV-visible spectrophotometer with Cary WinUV software. Reaction mixtures co...				ACS Chem Biol 11: 3061-3067 (2016) Article DOI: 10.1021/acschembio.6b00575 BindingDB Entry DOI: 10.7270/Q2M61J25
					More data for this Ligand-Target Pair
Anthranilate--CoA ligase (Pseudomonas aeruginosa (Gram- Bacteria))	BDBM205459 (Anthranilyl-AMSN (2)) Show SMILES Nc1ccccc1C(=O)[N-]S(=O)(=O)NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C17H20N8O6S/c18-9-4-2-1-3-8(9)16(28)24-32(29,30)23-5-10-12(26)13(27)17(31-10)25-7-22-11-14(19)20-6-21-15(11)25/h1-4,6-7,10,12-13,17,23,26-27H,5H2,(H5,18,19,20,21,24,28)/p-1/t10-,12-,13-,17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/a
East Carolina University					Assay Description Reactions were performed at 37 °C in a 0.5 mL volume in a Varian Cary 100 UV-visible spectrophotometer with Cary WinUV software. Reaction mixtures co...				ACS Chem Biol 11: 3061-3067 (2016) Article DOI: 10.1021/acschembio.6b00575 BindingDB Entry DOI: 10.7270/Q2M61J25
					More data for this Ligand-Target Pair
Anthranilate--CoA ligase (Pseudomonas aeruginosa (Gram- Bacteria))	BDBM205458 (Anthranilyl-AMS (1)) Show SMILES Nc1ccccc1C(=O)[N-]S(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C17H19N7O7S/c18-9-4-2-1-3-8(9)16(27)23-32(28,29)30-5-10-12(25)13(26)17(31-10)24-7-22-11-14(19)20-6-21-15(11)24/h1-4,6-7,10,12-13,17,25-26H,5H2,(H5,18,19,20,21,23,27)/p-1/t10-,12-,13-,17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	205	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/a
East Carolina University					Assay Description Reactions were performed at 37 °C in a 0.5 mL volume in a Varian Cary 100 UV-visible spectrophotometer with Cary WinUV software. Reaction mixtures co...				ACS Chem Biol 11: 3061-3067 (2016) Article DOI: 10.1021/acschembio.6b00575 BindingDB Entry DOI: 10.7270/Q2M61J25
					More data for this Ligand-Target Pair
Yersiniabactin biosynthetic protein (Yersinia pestis)	BDBM50339905 (5'-O-(N-(L-CYSTEINYL)-SULFAMOYL)ADENOSINE | 5'-O-[...) Show SMILES N[C@@H](CS)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C13H19N7O7S2/c14-5(2-28)12(23)19-29(24,25)26-1-6-8(21)9(22)13(27-6)20-4-18-7-10(15)16-3-17-11(7)20/h3-6,8-9,13,21-22,28H,1-2,14H2,(H,19,23)(H2,15,16,17)/t5-,6+,8+,9+,13+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Weill Cornell Graduate School of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant Yersinia pestis C-terminal His6-tagged HMWP2 cysteine adenylation domain (1 to 1491 residues) expressed in Escherichia coli...				Bioorg Med Chem Lett 26: 5340-5345 (2016) Article DOI: 10.1016/j.bmcl.2016.09.027 BindingDB Entry DOI: 10.7270/Q2CZ394B
					More data for this Ligand-Target Pair
Anthranilate--CoA ligase (Pseudomonas aeruginosa (Gram- Bacteria))	BDBM205462 (Benzoyl-AMS (5)) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)[N-]C(=O)c2ccccc2)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C17H18N6O7S/c18-14-11-15(20-7-19-14)23(8-21-11)17-13(25)12(24)10(30-17)6-29-31(27,28)22-16(26)9-4-2-1-3-5-9/h1-5,7-8,10,12-13,17,24-25H,6H2,(H3,18,19,20,22,26)/p-1/t10-,12-,13-,17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	420	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/a
East Carolina University					Assay Description Reactions were performed at 37 °C in a 0.5 mL volume in a Varian Cary 100 UV-visible spectrophotometer with Cary WinUV software. Reaction mixtures co...				ACS Chem Biol 11: 3061-3067 (2016) Article DOI: 10.1021/acschembio.6b00575 BindingDB Entry DOI: 10.7270/Q2M61J25
					More data for this Ligand-Target Pair
Yersiniabactin biosynthetic protein (Yersinia pestis)	BDBM50197294 (CHEMBL3897138) Show SMILES N[C@H]1CCCc2nc3c(N)ncnc3n2[C@@H]2O[C@H](COS(=O)(=O)NC1=O)[C@@H](O)[C@H]2O |r| Show InChI InChI=1S/C15H21N7O7S/c16-6-2-1-3-8-20-9-12(17)18-5-19-13(9)22(8)15-11(24)10(23)7(29-15)4-28-30(26,27)21-14(6)25/h5-7,10-11,15,23-24H,1-4,16H2,(H,21,25)(H2,17,18,19)/t6-,7+,10+,11+,15+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Weill Cornell Graduate School of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant Yersinia pestis C-terminal His6-tagged HMWP2 cysteine adenylation domain (1 to 1491 residues) expressed in Escherichia coli...				Bioorg Med Chem Lett 26: 5340-5345 (2016) Article DOI: 10.1016/j.bmcl.2016.09.027 BindingDB Entry DOI: 10.7270/Q2CZ394B
					More data for this Ligand-Target Pair
Yersiniabactin biosynthetic protein (Yersinia pestis)	BDBM50197291 (AlaSA) Show SMILES C[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C13H19N7O7S/c1-5(14)12(23)19-28(24,25)26-2-6-8(21)9(22)13(27-6)20-4-18-7-10(15)16-3-17-11(7)20/h3-6,8-9,13,21-22H,2,14H2,1H3,(H,19,23)(H2,15,16,17)/t5-,6+,8+,9+,13+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Weill Cornell Graduate School of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant Yersinia pestis C-terminal His6-tagged HMWP2 cysteine adenylation domain (1 to 1491 residues) expressed in Escherichia coli...				Bioorg Med Chem Lett 26: 5340-5345 (2016) Article DOI: 10.1016/j.bmcl.2016.09.027 BindingDB Entry DOI: 10.7270/Q2CZ394B
					More data for this Ligand-Target Pair
Anthranilate--CoA ligase (Pseudomonas aeruginosa (Gram- Bacteria))	BDBM50413189 (CHEMBL457531 | Salicyl-AVSN (7)) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CNS(=O)(=O)\C=C\c2ccccc2O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C18H20N6O6S/c19-16-13-17(21-8-20-16)24(9-22-13)18-15(27)14(26)12(30-18)7-23-31(28,29)6-5-10-3-1-2-4-11(10)25/h1-6,8-9,12,14-15,18,23,25-27H,7H2,(H2,19,20,21)/b6-5+/t12-,14-,15-,18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.54E+4	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/a
East Carolina University					Assay Description Reactions were performed at 37 °C in a 0.5 mL volume in a Varian Cary 100 UV-visible spectrophotometer with Cary WinUV software. Reaction mixtures co...				ACS Chem Biol 11: 3061-3067 (2016) Article DOI: 10.1021/acschembio.6b00575 BindingDB Entry DOI: 10.7270/Q2M61J25
					More data for this Ligand-Target Pair
Anthranilate--CoA ligase (Pseudomonas aeruginosa (Gram- Bacteria))	BDBM205463 (Anthranilyl-AVSN (6)) Show SMILES Nc1ccccc1\C=C\S(=O)(=O)NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C18H21N7O5S/c19-11-4-2-1-3-10(11)5-6-31(28,29)24-7-12-14(26)15(27)18(30-12)25-9-23-13-16(20)21-8-22-17(13)25/h1-6,8-9,12,14-15,18,24,26-27H,7,19H2,(H2,20,21,22)/b6-5+/t12-,14-,15-,18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.63E+4	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/a
East Carolina University					Assay Description Reactions were performed at 37 °C in a 0.5 mL volume in a Varian Cary 100 UV-visible spectrophotometer with Cary WinUV software. Reaction mixtures co...				ACS Chem Biol 11: 3061-3067 (2016) Article DOI: 10.1021/acschembio.6b00575 BindingDB Entry DOI: 10.7270/Q2M61J25
					More data for this Ligand-Target Pair
Salicyl-AMP ligase / salicyl-S-ArCP synthetase (Mycobacterium tuberculosis)	BDBM50324670 (((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihyd...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2ccccc2O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C17H18N6O8S/c18-14-11-15(20-6-19-14)23(7-21-11)17-13(26)12(25)10(31-17)5-30-32(28,29)22-16(27)8-3-1-2-4-9(8)24/h1-4,6-7,10,12-13,17,24-26H,5H2,(H,22,27)(H2,18,19,20)/t10-,12-,13-,17-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	10.7	n/a	n/a	n/a	n/a	n/a	n/a
Weill Medical College of Cornell University Curated by ChEMBL					Assay Description Inhibition of adenylation activity of Mycobacterium tuberculosis MbtA after 30 mins by ATP-[32P]pyrophosphate exchange assay				Nat Chem Biol 1: 29-32 (2006) Article DOI: 10.1038/nchembio706 BindingDB Entry DOI: 10.7270/Q2BV7GV0
					More data for this Ligand-Target Pair
o-succinylbenzoate synthase (Escherichia coli K-12 (Enterobacteria))	BDBM181038 (OSB-AMS (1)) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCC(=O)c2ccccc2C(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C21H22N6O10S/c22-18-15-19(24-8-23-18)27(9-25-15)20-17(31)16(30)13(37-20)7-36-38(34,35)26-14(29)6-5-12(28)10-3-1-2-4-11(10)21(32)33/h1-4,8-9,13,16-17,20,30-31H,5-7H2,(H,26,29)(H,32,33)(H2,22,23,24)/t13-,16-,17-,20-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	7.4	n/a
Argonne National Laboratory					Assay Description Enzyme inhibition studies were performed in 20 mM NaHPO4 buffer (pH 7.4) containing 150 mM NaCl and 1 mM MgCl2 using a MenE-MenB coupled assay in whi...				Biochemistry 54: 6514-24 (2015) Article DOI: 10.1021/acs.biochem.5b00966 BindingDB Entry DOI: 10.7270/Q2RX99WJ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Mus musculus)	BDBM50325986 (3-(6-(3-aminophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-...) Show SMILES Nc1cccc(c1)-c1cc2c(Oc3cccc(O)c3)ncnc2[nH]1 Show InChI InChI=1S/C18H14N4O2/c19-12-4-1-3-11(7-12)16-9-15-17(22-16)20-10-21-18(15)24-14-6-2-5-13(23)8-14/h1-10,23H,19H2,(H,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Memorial Sloan-Kettering Cancer Center Curated by ChEMBL					Assay Description Binding affinity to GSK-3 beta in mouse D3 cells				Nat Chem Biol 1: 74-84 (2006) Article DOI: 10.1038/nchembio0705-74 BindingDB Entry DOI: 10.7270/Q2MC9118
					More data for this Ligand-Target Pair
Yersiniabactin biosynthetic protein (Yersinia pestis)	BDBM50339905 (5'-O-(N-(L-CYSTEINYL)-SULFAMOYL)ADENOSINE | 5'-O-[...) Show SMILES N[C@@H](CS)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C13H19N7O7S2/c14-5(2-28)12(23)19-29(24,25)26-1-6-8(21)9(22)13(27-6)20-4-18-7-10(15)16-3-17-11(7)20/h3-6,8-9,13,21-22,28H,1-2,14H2,(H,19,23)(H2,15,16,17)/t5-,6+,8+,9+,13+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Weill Cornell Graduate School of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant Yersinia pestis C-terminal His6-tagged HMWP2 cysteine adenylation domain (1 to 1491 residues) expressed in Escherichia coli...				Bioorg Med Chem Lett 26: 5340-5345 (2016) Article DOI: 10.1016/j.bmcl.2016.09.027 BindingDB Entry DOI: 10.7270/Q2CZ394B
					More data for this Ligand-Target Pair
o-succinylbenzoate synthase (Escherichia coli K-12 (Enterobacteria))	BDBM181041 (5'-O-(N-[4-(2-(2-Methoxy-3,4-dioxocyclobut-1-e...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCC(=O)c2ccccc2-c2c(O)c(=O)c2=O)[C@@H](O)[C@H]1O |r,wU:12.14,10.11,wD:38.42,40.45,(5.42,6.41,;5.5,4.87,;6.88,4.17,;6.96,2.64,;5.66,1.8,;4.29,2.5,;2.85,1.94,;1.89,3.14,;2.72,4.43,;4.21,4.03,;1.52,1.17,;.27,2.08,;-.97,1.17,;-2.3,1.94,;-3.64,1.17,;-4.97,1.94,;-4.2,3.28,;-5.74,3.28,;-6.31,1.17,;-7.64,1.94,;-7.64,3.48,;-8.97,1.17,;-10.31,1.94,;-11.64,1.17,;-11.64,-.37,;-12.97,1.94,;-14.31,1.17,;-15.64,1.94,;-15.64,3.48,;-14.31,4.25,;-12.97,3.48,;-11.64,4.25,;-11.64,5.79,;-12.73,6.88,;-10.1,5.79,;-9.01,6.88,;-10.1,4.25,;-9.01,3.17,;-.5,-.29,;-1.4,-1.54,;1.04,-.29,;1.95,-1.54,)| Show InChI InChI=1S/C24H22N6O11S/c25-22-16-23(27-8-26-22)30(9-28-16)24-21(37)17(33)13(41-24)7-40-42(38,39)29-14(32)6-5-12(31)10-3-1-2-4-11(10)15-18(34)20(36)19(15)35/h1-4,8-9,13,17,21,24,33-34,37H,5-7H2,(H,29,32)(H2,25,26,27)/t13-,17-,21-,24-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	7.4	n/a
Argonne National Laboratory					Assay Description Enzyme inhibition studies were performed in 20 mM NaHPO4 buffer (pH 7.4) containing 150 mM NaCl and 1 mM MgCl2 using a MenE-MenB coupled assay in whi...				Biochemistry 54: 6514-24 (2015) Article DOI: 10.1021/acs.biochem.5b00966 BindingDB Entry DOI: 10.7270/Q2RX99WJ
					More data for this Ligand-Target Pair
Yersiniabactin biosynthetic protein (Yersinia pestis)	BDBM50197294 (CHEMBL3897138) Show SMILES N[C@H]1CCCc2nc3c(N)ncnc3n2[C@@H]2O[C@H](COS(=O)(=O)NC1=O)[C@@H](O)[C@H]2O |r| Show InChI InChI=1S/C15H21N7O7S/c16-6-2-1-3-8-20-9-12(17)18-5-19-13(9)22(8)15-11(24)10(23)7(29-15)4-28-30(26,27)21-14(6)25/h5-7,10-11,15,23-24H,1-4,16H2,(H,21,25)(H2,17,18,19)/t6-,7+,10+,11+,15+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
Weill Cornell Graduate School of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant Yersinia pestis C-terminal His6-tagged HMWP2 cysteine adenylation domain (1 to 1491 residues) expressed in Escherichia coli...				Bioorg Med Chem Lett 26: 5340-5345 (2016) Article DOI: 10.1016/j.bmcl.2016.09.027 BindingDB Entry DOI: 10.7270/Q2CZ394B
					More data for this Ligand-Target Pair
Yersiniabactin biosynthetic protein (Yersinia pestis)	BDBM50197291 (AlaSA) Show SMILES C[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C13H19N7O7S/c1-5(14)12(23)19-28(24,25)26-2-6-8(21)9(22)13(27-6)20-4-18-7-10(15)16-3-17-11(7)20/h3-6,8-9,13,21-22H,2,14H2,1H3,(H,19,23)(H2,15,16,17)/t5-,6+,8+,9+,13+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.15E+3	n/a	n/a	n/a	n/a	n/a	n/a
Weill Cornell Graduate School of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant Yersinia pestis C-terminal His6-tagged HMWP2 cysteine adenylation domain (1 to 1491 residues) expressed in Escherichia coli...				Bioorg Med Chem Lett 26: 5340-5345 (2016) Article DOI: 10.1016/j.bmcl.2016.09.027 BindingDB Entry DOI: 10.7270/Q2CZ394B
					More data for this Ligand-Target Pair
o-succinylbenzoate synthase (Escherichia coli K-12 (Enterobacteria))	BDBM181048 (5'-O-(N-[3-(2,2-Difluoro-1-hydroxy-3-oxo-2,3-d...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCC2(O)c3ccccc3C(O)C2(F)F)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C22H24F2N6O9S/c23-22(24)17(34)10-3-1-2-4-11(10)21(22,35)6-5-13(31)29-40(36,37)38-7-12-15(32)16(33)20(39-12)30-9-28-14-18(25)26-8-27-19(14)30/h1-4,8-9,12,15-17,20,32-35H,5-7H2,(H,29,31)(H2,25,26,27)/t12-,15-,16-,17?,20-,21?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	7.4	n/a
Argonne National Laboratory					Assay Description Enzyme inhibition studies were performed in 20 mM NaHPO4 buffer (pH 7.4) containing 150 mM NaCl and 1 mM MgCl2 using a MenE-MenB coupled assay in whi...				Biochemistry 54: 6514-24 (2015) Article DOI: 10.1021/acs.biochem.5b00966 BindingDB Entry DOI: 10.7270/Q2RX99WJ
					More data for this Ligand-Target Pair
o-succinylbenzoate synthase (Escherichia coli K-12 (Enterobacteria))	BDBM181040 (5'-O-(N-[4-(2-(2H-Tetrazol-5-yl)phenyl)-4-oxob...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCC(=O)c2ccccc2-c2nn[nH]n2)[C@@H](O)[C@H]1O |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	7.4	n/a
Argonne National Laboratory					Assay Description Enzyme inhibition studies were performed in 20 mM NaHPO4 buffer (pH 7.4) containing 150 mM NaCl and 1 mM MgCl2 using a MenE-MenB coupled assay in whi...				Biochemistry 54: 6514-24 (2015) Article DOI: 10.1021/acs.biochem.5b00966 BindingDB Entry DOI: 10.7270/Q2RX99WJ
					More data for this Ligand-Target Pair
Yersiniabactin biosynthetic protein (Yersinia pestis)	BDBM50197295 (CHEMBL3934723) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)[C@@H](O)CS)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C13H18N6O8S2/c14-10-7-11(16-3-15-10)19(4-17-7)13-9(22)8(21)6(27-13)1-26-29(24,25)18-12(23)5(20)2-28/h3-6,8-9,13,20-22,28H,1-2H2,(H,18,23)(H2,14,15,16)/t5-,6+,8+,9+,13+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.65E+4	n/a	n/a	n/a	n/a	n/a	n/a
Weill Cornell Graduate School of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant Yersinia pestis C-terminal His6-tagged HMWP2 cysteine adenylation domain (1 to 1491 residues) expressed in Escherichia coli...				Bioorg Med Chem Lett 26: 5340-5345 (2016) Article DOI: 10.1016/j.bmcl.2016.09.027 BindingDB Entry DOI: 10.7270/Q2CZ394B
					More data for this Ligand-Target Pair
o-succinylbenzoate synthase (Escherichia coli K-12 (Enterobacteria))	BDBM181046 (5'-O-(N-[3-(3-Oxo-1,3-dihydroisobenzofuran-1-y...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCC2OC(=O)c3ccccc23)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C21H22N6O9S/c22-18-15-19(24-8-23-18)27(9-25-15)20-17(30)16(29)13(35-20)7-34-37(32,33)26-14(28)6-5-12-10-3-1-2-4-11(10)21(31)36-12/h1-4,8-9,12-13,16-17,20,29-30H,5-7H2,(H,26,28)(H2,22,23,24)/t12?,13-,16-,17-,20-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	7.4	n/a
Argonne National Laboratory					Assay Description Enzyme inhibition studies were performed in 20 mM NaHPO4 buffer (pH 7.4) containing 150 mM NaCl and 1 mM MgCl2 using a MenE-MenB coupled assay in whi...				Biochemistry 54: 6514-24 (2015) Article DOI: 10.1021/acs.biochem.5b00966 BindingDB Entry DOI: 10.7270/Q2RX99WJ
					More data for this Ligand-Target Pair
o-succinylbenzoate synthase (Escherichia coli K-12 (Enterobacteria))	BDBM181045 (5'-O-(N-[4-Hydroxy-4-(2-(2,2,2-trifluoro-1-hyd...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCC(=O)c2ccccc2C(O)C(F)(F)F)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C22H23F3N6O9S/c23-22(24,25)18(36)11-4-2-1-3-10(11)12(32)5-6-14(33)30-41(37,38)39-7-13-16(34)17(35)21(40-13)31-9-29-15-19(26)27-8-28-20(15)31/h1-4,8-9,13,16-18,21,34-36H,5-7H2,(H,30,33)(H2,26,27,28)/t13-,16-,17-,18?,21-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	7.4	n/a
Argonne National Laboratory					Assay Description Enzyme inhibition studies were performed in 20 mM NaHPO4 buffer (pH 7.4) containing 150 mM NaCl and 1 mM MgCl2 using a MenE-MenB coupled assay in whi...				Biochemistry 54: 6514-24 (2015) Article DOI: 10.1021/acs.biochem.5b00966 BindingDB Entry DOI: 10.7270/Q2RX99WJ
					More data for this Ligand-Target Pair
o-succinylbenzoate synthase (Escherichia coli K-12 (Enterobacteria))	BDBM181044 (5'-O-(N-[4-(2-Boronophenyl)-4-oxobutanoyl]sulf...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCC(=O)c2ccccc2B(O)O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C20H23BN6O10S/c22-18-15-19(24-8-23-18)27(9-25-15)20-17(31)16(30)13(37-20)7-36-38(34,35)26-14(29)6-5-12(28)10-3-1-2-4-11(10)21(32)33/h1-4,8-9,13,16-17,20,30-33H,5-7H2,(H,26,29)(H2,22,23,24)/t13-,16-,17-,20-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	7.4	n/a
Argonne National Laboratory					Assay Description Enzyme inhibition studies were performed in 20 mM NaHPO4 buffer (pH 7.4) containing 150 mM NaCl and 1 mM MgCl2 using a MenE-MenB coupled assay in whi...				Biochemistry 54: 6514-24 (2015) Article DOI: 10.1021/acs.biochem.5b00966 BindingDB Entry DOI: 10.7270/Q2RX99WJ
					More data for this Ligand-Target Pair
o-succinylbenzoate synthase (Escherichia coli K-12 (Enterobacteria))	BDBM181043 (5'-O-(N-[4-(2-Nitrophenyl)-4-oxobutanoyl]sulfa...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCC(=O)c2ccccc2[N+]([O-])=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C20H21N7O10S/c21-18-15-19(23-8-22-18)26(9-24-15)20-17(31)16(30)13(37-20)7-36-38(34,35)25-14(29)6-5-12(28)10-3-1-2-4-11(10)27(32)33/h1-4,8-9,13,16-17,20,30-31H,5-7H2,(H,25,29)(H2,21,22,23)/t13-,16-,17-,20-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	7.4	n/a
Argonne National Laboratory					Assay Description Enzyme inhibition studies were performed in 20 mM NaHPO4 buffer (pH 7.4) containing 150 mM NaCl and 1 mM MgCl2 using a MenE-MenB coupled assay in whi...				Biochemistry 54: 6514-24 (2015) Article DOI: 10.1021/acs.biochem.5b00966 BindingDB Entry DOI: 10.7270/Q2RX99WJ
					More data for this Ligand-Target Pair
o-succinylbenzoate synthase (Escherichia coli K-12 (Enterobacteria))	BDBM181042 (5'-O-(N-[4-(2-(5-Oxazolyl)phenyl)-4-oxobutanoy...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCC(=O)c2ccccc2-c2cnco2)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C23H23N7O9S/c24-21-18-22(27-9-26-21)30(10-28-18)23-20(34)19(33)16(39-23)8-38-40(35,36)29-17(32)6-5-14(31)12-3-1-2-4-13(12)15-7-25-11-37-15/h1-4,7,9-11,16,19-20,23,33-34H,5-6,8H2,(H,29,32)(H2,24,26,27)/t16-,19-,20-,23-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	7.4	n/a
Argonne National Laboratory					Assay Description Enzyme inhibition studies were performed in 20 mM NaHPO4 buffer (pH 7.4) containing 150 mM NaCl and 1 mM MgCl2 using a MenE-MenB coupled assay in whi...				Biochemistry 54: 6514-24 (2015) Article DOI: 10.1021/acs.biochem.5b00966 BindingDB Entry DOI: 10.7270/Q2RX99WJ
					More data for this Ligand-Target Pair
o-succinylbenzoate synthase (Escherichia coli K-12 (Enterobacteria))	BDBM181047 (5'-O-(N-[3-(1-Hydroxy-3-oxoisoindolin-1-yl)pro...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCC2(O)NC(=O)c3ccccc23)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C21H23N7O9S/c22-17-14-18(24-8-23-17)28(9-25-14)20-16(31)15(30)12(37-20)7-36-38(34,35)27-13(29)5-6-21(33)11-4-2-1-3-10(11)19(32)26-21/h1-4,8-9,12,15-16,20,30-31,33H,5-7H2,(H,26,32)(H,27,29)(H2,22,23,24)/t12-,15-,16-,20-,21?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	7.4	n/a
Argonne National Laboratory					Assay Description Enzyme inhibition studies were performed in 20 mM NaHPO4 buffer (pH 7.4) containing 150 mM NaCl and 1 mM MgCl2 using a MenE-MenB coupled assay in whi...				Biochemistry 54: 6514-24 (2015) Article DOI: 10.1021/acs.biochem.5b00966 BindingDB Entry DOI: 10.7270/Q2RX99WJ
					More data for this Ligand-Target Pair
o-succinylbenzoate synthase (Escherichia coli K-12 (Enterobacteria))	BDBM181039 (5'-O-(N-[4''-(3-carboxylphenyl)-4''-oxobutanoyl]su...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCC(=O)c2cccc(c2)C([O-])=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C21H22N6O10S/c22-18-15-19(24-8-23-18)27(9-25-15)20-17(31)16(30)13(37-20)7-36-38(34,35)26-14(29)5-4-12(28)10-2-1-3-11(6-10)21(32)33/h1-3,6,8-9,13,16-17,20,30-31H,4-5,7H2,(H,26,29)(H,32,33)(H2,22,23,24)/p-1/t13-,16-,17-,20-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	7.4	n/a
Argonne National Laboratory					Assay Description Enzyme inhibition studies were performed in 20 mM NaHPO4 buffer (pH 7.4) containing 150 mM NaCl and 1 mM MgCl2 using a MenE-MenB coupled assay in whi...				Biochemistry 54: 6514-24 (2015) Article DOI: 10.1021/acs.biochem.5b00966 BindingDB Entry DOI: 10.7270/Q2RX99WJ
					More data for this Ligand-Target Pair
Yersiniabactin biosynthetic protein (Yersinia pestis)	BDBM50197292 (CHEMBL3889888) Show SMILES C[C@H](O)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C13H18N6O8S/c1-5(20)12(23)18-28(24,25)26-2-6-8(21)9(22)13(27-6)19-4-17-7-10(14)15-3-16-11(7)19/h3-6,8-9,13,20-22H,2H2,1H3,(H,18,23)(H2,14,15,16)/t5-,6+,8+,9+,13+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Weill Cornell Graduate School of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant Yersinia pestis C-terminal His6-tagged HMWP2 cysteine adenylation domain (1 to 1491 residues) expressed in Escherichia coli...				Bioorg Med Chem Lett 26: 5340-5345 (2016) Article DOI: 10.1016/j.bmcl.2016.09.027 BindingDB Entry DOI: 10.7270/Q2CZ394B
					More data for this Ligand-Target Pair
Yersiniabactin biosynthetic protein (Yersinia pestis)	BDBM50197293 (CHEMBL3968275) Show SMILES Nc1ncnc2n3[C@@H]4O[C@H](COS(=O)(=O)NC(=O)[C@@H](O)CCCc3nc12)[C@@H](O)[C@H]4O |r| Show InChI InChI=1S/C15H20N6O8S/c16-12-9-13(18-5-17-12)21-8(19-9)3-1-2-6(22)14(25)20-30(26,27)28-4-7-10(23)11(24)15(21)29-7/h5-7,10-11,15,22-24H,1-4H2,(H,20,25)(H2,16,17,18)/t6-,7+,10+,11+,15+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Weill Cornell Graduate School of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant Yersinia pestis C-terminal His6-tagged HMWP2 cysteine adenylation domain (1 to 1491 residues) expressed in Escherichia coli...				Bioorg Med Chem Lett 26: 5340-5345 (2016) Article DOI: 10.1016/j.bmcl.2016.09.027 BindingDB Entry DOI: 10.7270/Q2CZ394B
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Mus musculus)	BDBM50325986 (3-(6-(3-aminophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-...) Show SMILES Nc1cccc(c1)-c1cc2c(Oc3cccc(O)c3)ncnc2[nH]1 Show InChI InChI=1S/C18H14N4O2/c19-12-4-1-3-11(7-12)16-9-15-17(22-16)20-10-21-18(15)24-14-6-2-5-13(23)8-14/h1-10,23H,19H2,(H,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a
Memorial Sloan-Kettering Cancer Center Curated by ChEMBL					Assay Description Inhibition of GSK-3 beta in mouse D3 cells assessed as induction of neuron specific marker beta3-tubulin by immunofluorescence method				Nat Chem Biol 1: 74-84 (2006) Article DOI: 10.1038/nchembio0705-74 BindingDB Entry DOI: 10.7270/Q2MC9118
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Mus musculus)	BDBM50325986 (3-(6-(3-aminophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-...) Show SMILES Nc1cccc(c1)-c1cc2c(Oc3cccc(O)c3)ncnc2[nH]1 Show InChI InChI=1S/C18H14N4O2/c19-12-4-1-3-11(7-12)16-9-15-17(22-16)20-10-21-18(15)24-14-6-2-5-13(23)8-14/h1-10,23H,19H2,(H,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a
Memorial Sloan-Kettering Cancer Center Curated by ChEMBL					Assay Description Inhibition of GSK-3 beta in mouse D3 cells assessed as induction of neuron specific marker neurofilament-M by immunofluorescence method				Nat Chem Biol 1: 74-84 (2006) Article DOI: 10.1038/nchembio0705-74 BindingDB Entry DOI: 10.7270/Q2MC9118
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Mus musculus)	BDBM50325986 (3-(6-(3-aminophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-...) Show SMILES Nc1cccc(c1)-c1cc2c(Oc3cccc(O)c3)ncnc2[nH]1 Show InChI InChI=1S/C18H14N4O2/c19-12-4-1-3-11(7-12)16-9-15-17(22-16)20-10-21-18(15)24-14-6-2-5-13(23)8-14/h1-10,23H,19H2,(H,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a
Memorial Sloan-Kettering Cancer Center Curated by ChEMBL					Assay Description Inhibition of GSK-3 beta in mouse D3 cells				Nat Chem Biol 1: 74-84 (2006) Article DOI: 10.1038/nchembio0705-74 BindingDB Entry DOI: 10.7270/Q2MC9118
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM22449 (CHEMBL356769 | N-(4-{(2R,4R,6S)-4-{[(4,5-diphenyl-...) Show SMILES OCc1ccc(cc1)[C@@H]1C[C@H](CSc2nc(c(o2)-c2ccccc2)-c2ccccc2)O[C@@H](O1)c1ccc(NC(=O)CCCCCCC(=O)NO)cc1 |r| Show InChI InChI=1S/C41H43N3O7S/c45-26-28-17-19-29(20-18-28)35-25-34(27-52-41-43-38(30-11-5-3-6-12-30)39(51-41)31-13-7-4-8-14-31)49-40(50-35)32-21-23-33(24-22-32)42-36(46)15-9-1-2-10-16-37(47)44-48/h3-8,11-14,17-24,34-35,40,45,48H,1-2,9-10,15-16,25-27H2,(H,42,46)(H,44,47)/t34-,35+,40+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a
Memorial Sloan-Kettering Cancer Center Curated by ChEMBL					Assay Description Inhibition of HDAC6 in human A549 cells assessed as induction of alpha-tubulin acetylation by fluorescence microscopy				Nat Chem Biol 1: 74-84 (2006) Article DOI: 10.1038/nchembio0705-74 BindingDB Entry DOI: 10.7270/Q2MC9118
					More data for this Ligand-Target Pair
Bile acid receptor (Homo sapiens (Human))	BDBM50167161 ((E)-3-{3-[Cyclohexanecarbonyl-(4'-dimethylamino-bi...) Show SMILES COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1ccc(cc1)N(C)C)C(=O)C1CCCCC1 Show InChI InChI=1S/C32H36N2O3/c1-33(2)29-19-17-27(18-20-29)26-15-12-25(13-16-26)23-34(32(36)28-9-5-4-6-10-28)30-11-7-8-24(22-30)14-21-31(35)37-3/h7-8,11-22,28H,4-6,9-10,23H2,1-3H3/b21-14+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid UniChem Similars	MMDB Article PubMed	n/a	n/a	n/a	n/a	25	n/a	n/a	n/a	n/a
Memorial Sloan-Kettering Cancer Center Curated by ChEMBL					Assay Description Agonist activity at FXR				Nat Chem Biol 1: 74-84 (2006) Article DOI: 10.1038/nchembio0705-74 BindingDB Entry DOI: 10.7270/Q2MC9118
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Mus musculus)	BDBM50325986 (3-(6-(3-aminophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-...) Show SMILES Nc1cccc(c1)-c1cc2c(Oc3cccc(O)c3)ncnc2[nH]1 Show InChI InChI=1S/C18H14N4O2/c19-12-4-1-3-11(7-12)16-9-15-17(22-16)20-10-21-18(15)24-14-6-2-5-13(23)8-14/h1-10,23H,19H2,(H,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a
Memorial Sloan-Kettering Cancer Center Curated by ChEMBL					Assay Description Inhibition of GSK-3 beta in mouse D3 cells assessed as induction of neuron specific marker neurofilament-M by immunofluorescence method				Nat Chem Biol 1: 74-84 (2006) Article DOI: 10.1038/nchembio0705-74 BindingDB Entry DOI: 10.7270/Q2MC9118
					More data for this Ligand-Target Pair