Compile Data Set for Download or QSAR

Found 217 hits with Last Name = 'dick' and Initial = 't'   

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
Botulinum neurotoxin type A (Clostridium botulinum)	BDBM50447108 (CHEMBL3112881) Show SMILES ONC(=O)\C=C\c1sc2cc(F)ccc2c1Cl Show InChI InChI=1S/C11H7ClFNO2S/c12-11-7-2-1-6(13)5-9(7)17-8(11)3-4-10(15)14-16/h1-5,16H,(H,14,15)/b4-3+	PDB MMDB NCI pathway Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	77	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of Clostridium botulinum BoNT/A LC assessed as cleavage of SNAP-25 (141 to 206) after 30 mins by LC-MS analysis				J Med Chem 57: 669-76 (2014) Article DOI: 10.1021/jm4012164 BindingDB Entry DOI: 10.7270/Q2GH9KDZ
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50134784 (CHEMBL526243 | TCMDC-137820) Show SMILES Nc1nc(N)c2c3ccn(Cc4ccc(cc4)C#N)c3ccc2n1 Show InChI InChI=1S/C18H14N6/c19-9-11-1-3-12(4-2-11)10-24-8-7-13-15(24)6-5-14-16(13)17(20)23-18(21)22-14/h1-8H,10H2,(H4,20,21,22,23)	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	6.80	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of human DHFR assessed as reduction in consumption of NADPH using DHF as substrate by fluorescence method				Eur J Med Chem 144: 262-276 (2018) Article DOI: 10.1016/j.ejmech.2017.12.017 BindingDB Entry DOI: 10.7270/Q2VT1VNW
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM66082 ((2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methy...) Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O Show InChI InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	7.10	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of recombinant human DHFR assessed as reduction in consumption of NADPH using DHF as substrate measured every 30 secs over 6 mins by spect...				Eur J Med Chem 144: 262-276 (2018) Article DOI: 10.1016/j.ejmech.2017.12.017 BindingDB Entry DOI: 10.7270/Q2VT1VNW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50290152 (CHEMBL526013) Show SMILES Cc1c(Cc2ccccc2Br)cnc2nc(N)nc(N)c12 Show InChI InChI=1S/C15H14BrN5/c1-8-10(6-9-4-2-3-5-11(9)16)7-19-14-12(8)13(17)20-15(18)21-14/h2-5,7H,6H2,1H3,(H4,17,18,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.60	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of human DHFR assessed as reduction in consumption of NADPH using DHF as substrate by fluorescence method				Eur J Med Chem 144: 262-276 (2018) Article DOI: 10.1016/j.ejmech.2017.12.017 BindingDB Entry DOI: 10.7270/Q2VT1VNW
					More data for this Ligand-Target Pair
Peptide deformylase (Mycobacterium tuberculosis)	BDBM50255003 (CHEMBL519613 | N-((R)-3-((S)-2-(1H-benzo[d]imidazo...) Show SMILES ON(C[C@@H](CC1CC1)C(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1)C=O |r| Show InChI InChI=1S/C19H24N4O3/c24-12-22(26)11-14(10-13-7-8-13)19(25)23-9-3-6-17(23)18-20-15-4-1-2-5-16(15)21-18/h1-2,4-5,12-14,17,26H,3,6-11H2,(H,20,21)/t14-,17+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis peptide deformylase expressed in Escherichia coli M15(pREp4) by microplate assay				Bioorg Med Chem Lett 18: 6568-72 (2008) Article DOI: 10.1016/j.bmcl.2008.10.040 BindingDB Entry DOI: 10.7270/Q2VX0GCD
					More data for this Ligand-Target Pair				3D Structure (docked)
Dihydrofolate reductase (Mycobacterium tuberculosis)	BDBM50290152 (CHEMBL526013) Show SMILES Cc1c(Cc2ccccc2Br)cnc2nc(N)nc(N)c12 Show InChI InChI=1S/C15H14BrN5/c1-8-10(6-9-4-2-3-5-11(9)16)7-19-14-12(8)13(17)20-15(18)21-14/h2-5,7H,6H2,1H3,(H4,17,18,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.20	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis H37Rv DHFR expressed in Escherichia coli assessed as reduction in consumption of NADPH using DHF as substrat...				Eur J Med Chem 144: 262-276 (2018) Article DOI: 10.1016/j.ejmech.2017.12.017 BindingDB Entry DOI: 10.7270/Q2VT1VNW
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Mycobacterium tuberculosis)	BDBM50134784 (CHEMBL526243 | TCMDC-137820) Show SMILES Nc1nc(N)c2c3ccn(Cc4ccc(cc4)C#N)c3ccc2n1 Show InChI InChI=1S/C18H14N6/c19-9-11-1-3-12(4-2-11)10-24-8-7-13-15(24)6-5-14-16(13)17(20)23-18(21)22-14/h1-8H,10H2,(H4,20,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis H37Rv DHFR expressed in Escherichia coli assessed as reduction in consumption of NADPH using DHF as substrat...				Eur J Med Chem 144: 262-276 (2018) Article DOI: 10.1016/j.ejmech.2017.12.017 BindingDB Entry DOI: 10.7270/Q2VT1VNW
					More data for this Ligand-Target Pair
Peptide deformylase (Mycobacterium tuberculosis)	BDBM50255000 (CHEMBL443904 | N-((R)-2-((S)-2-(1H-benzo[d]imidazo...) Show SMILES CCCC[C@H](CN(O)C=O)C(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 |r| Show InChI InChI=1S/C19H26N4O3/c1-2-3-7-14(12-22(26)13-24)19(25)23-11-6-10-17(23)18-20-15-8-4-5-9-16(15)21-18/h4-5,8-9,13-14,17,26H,2-3,6-7,10-12H2,1H3,(H,20,21)/t14-,17+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis peptide deformylase expressed in Escherichia coli M15(pREp4) by microplate assay				Bioorg Med Chem Lett 18: 6568-72 (2008) Article DOI: 10.1016/j.bmcl.2008.10.040 BindingDB Entry DOI: 10.7270/Q2VX0GCD
					More data for this Ligand-Target Pair				3D Structure (docked)
Peptide deformylase (Mycobacterium tuberculosis)	BDBM50255032 (CHEMBL465740 | N-((R)-2-((S)-2-(benzo[d]oxazol-2-y...) Show SMILES CCCCC[C@H](CN(O)C=O)C(=O)N1CCC[C@H]1c1nc2ccccc2o1 |r| Show InChI InChI=1S/C20H27N3O4/c1-2-3-4-8-15(13-22(26)14-24)20(25)23-12-7-10-17(23)19-21-16-9-5-6-11-18(16)27-19/h5-6,9,11,14-15,17,26H,2-4,7-8,10,12-13H2,1H3/t15-,17+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis peptide deformylase expressed in Escherichia coli M15(pREp4) by microplate assay				Bioorg Med Chem Lett 18: 6568-72 (2008) Article DOI: 10.1016/j.bmcl.2008.10.040 BindingDB Entry DOI: 10.7270/Q2VX0GCD
					More data for this Ligand-Target Pair				3D Structure (docked)
Peptide deformylase (Mycobacterium tuberculosis)	BDBM50255030 (CHEMBL506649 | N-((R)-2-((S)-2-(benzo[d]oxazol-2-y...) Show SMILES CCCC[C@H](CN(O)C=O)C(=O)N1CCC[C@H]1c1nc2ccccc2o1 |r| Show InChI InChI=1S/C19H25N3O4/c1-2-3-7-14(12-21(25)13-23)19(24)22-11-6-9-16(22)18-20-15-8-4-5-10-17(15)26-18/h4-5,8,10,13-14,16,25H,2-3,6-7,9,11-12H2,1H3/t14-,16+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis peptide deformylase expressed in Escherichia coli M15(pREp4) by microplate assay				Bioorg Med Chem Lett 18: 6568-72 (2008) Article DOI: 10.1016/j.bmcl.2008.10.040 BindingDB Entry DOI: 10.7270/Q2VX0GCD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peptide deformylase (Mycobacterium tuberculosis)	BDBM50255002 (CHEMBL482180 | N-((R)-2-((S)-2-(1H-benzo[d]imidazo...) Show SMILES CCCCC[C@H](CN(O)C=O)C(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 |r| Show InChI InChI=1S/C20H28N4O3/c1-2-3-4-8-15(13-23(27)14-25)20(26)24-12-7-11-18(24)19-21-16-9-5-6-10-17(16)22-19/h5-6,9-10,14-15,18,27H,2-4,7-8,11-13H2,1H3,(H,21,22)/t15-,18+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis peptide deformylase expressed in Escherichia coli M15(pREp4) by microplate assay				Bioorg Med Chem Lett 18: 6568-72 (2008) Article DOI: 10.1016/j.bmcl.2008.10.040 BindingDB Entry DOI: 10.7270/Q2VX0GCD
					More data for this Ligand-Target Pair				3D Structure (docked)
Peptide deformylase (Mycobacterium tuberculosis)	BDBM50255065 ((S)-2-((S)-2-(1H-benzo[d]imidazol-2-yl)pyrrolidine...) Show SMILES CCCC[C@H](C(=O)NO)C(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 |r| Show InChI InChI=1S/C18H24N4O3/c1-2-3-7-12(17(23)21-25)18(24)22-11-6-10-15(22)16-19-13-8-4-5-9-14(13)20-16/h4-5,8-9,12,15,25H,2-3,6-7,10-11H2,1H3,(H,19,20)(H,21,23)/t12-,15+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis peptide deformylase expressed in Escherichia coli M15(pREp4) by microplate assay				Bioorg Med Chem Lett 18: 6568-72 (2008) Article DOI: 10.1016/j.bmcl.2008.10.040 BindingDB Entry DOI: 10.7270/Q2VX0GCD
					More data for this Ligand-Target Pair				3D Structure (docked)
Peptide deformylase (Mycobacterium tuberculosis)	BDBM50255033 (CHEMBL463859 | N-((R)-3-((S)-2-(benzo[d]oxazol-2-y...) Show SMILES ON(C[C@@H](CC1CC1)C(=O)N1CCC[C@H]1c1nc2ccccc2o1)C=O |r| Show InChI InChI=1S/C19H23N3O4/c23-12-21(25)11-14(10-13-7-8-13)19(24)22-9-3-5-16(22)18-20-15-4-1-2-6-17(15)26-18/h1-2,4,6,12-14,16,25H,3,5,7-11H2/t14-,16+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis peptide deformylase expressed in Escherichia coli M15(pREp4) by microplate assay				Bioorg Med Chem Lett 18: 6568-72 (2008) Article DOI: 10.1016/j.bmcl.2008.10.040 BindingDB Entry DOI: 10.7270/Q2VX0GCD
					More data for this Ligand-Target Pair
tRNA (guanine-N(1)-)-methyltransferase (Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22...)	BDBM50519348 (CHEMBL4517402) Show SMILES CCCCCCCCNCc1ccc(CNC(=O)c2csc3nc[nH]c(=O)c23)cc1 Show InChI InChI=1S/C23H30N4O2S/c1-2-3-4-5-6-7-12-24-13-17-8-10-18(11-9-17)14-25-21(28)19-15-30-23-20(19)22(29)26-16-27-23/h8-11,15-16,24H,2-7,12-14H2,1H3,(H,25,28)(H,26,27,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Singapore-MIT Alliance for Research and Technology Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa tRNA (guanine(37)-N1)-methyltransferase (Leu5 to Asp25 residues) expressed in Escherichia coli BL21 (DE3) Rosett...				J Med Chem 62: 7788-7805 (2019) Article DOI: 10.1021/acs.jmedchem.9b00582 BindingDB Entry DOI: 10.7270/Q2C250TC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peptide deformylase (Mycobacterium tuberculosis)	BDBM50255001 (CHEMBL482179 | N-((R)-2-((S)-2-(1H-benzo[d]imidazo...) Show SMILES CCC[C@H](CN(O)C=O)C(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 |r| Show InChI InChI=1S/C18H24N4O3/c1-2-6-13(11-21(25)12-23)18(24)22-10-5-9-16(22)17-19-14-7-3-4-8-15(14)20-17/h3-4,7-8,12-13,16,25H,2,5-6,9-11H2,1H3,(H,19,20)/t13-,16+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis peptide deformylase expressed in Escherichia coli M15(pREp4) by microplate assay				Bioorg Med Chem Lett 18: 6568-72 (2008) Article DOI: 10.1016/j.bmcl.2008.10.040 BindingDB Entry DOI: 10.7270/Q2VX0GCD
					More data for this Ligand-Target Pair				3D Structure (docked)
tRNA (guanine-N(1)-)-methyltransferase (Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22...)	BDBM50519370 (CHEMBL4513615) Show SMILES CCCCCCCCCCNCc1ccc(CNC(=O)c2csc3nc[nH]c(=O)c23)cc1 Show InChI InChI=1S/C25H34N4O2S/c1-2-3-4-5-6-7-8-9-14-26-15-19-10-12-20(13-11-19)16-27-23(30)21-17-32-25-22(21)24(31)28-18-29-25/h10-13,17-18,26H,2-9,14-16H2,1H3,(H,27,30)(H,28,29,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Singapore-MIT Alliance for Research and Technology Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa tRNA (guanine(37)-N1)-methyltransferase (Leu5 to Asp25 residues) expressed in Escherichia coli BL21 (DE3) Rosett...				J Med Chem 62: 7788-7805 (2019) Article DOI: 10.1021/acs.jmedchem.9b00582 BindingDB Entry DOI: 10.7270/Q2C250TC
					More data for this Ligand-Target Pair
Peptide deformylase (Mycobacterium tuberculosis)	BDBM50255031 (CHEMBL480220 | N-((R)-2-((S)-2-(benzo[d]oxazol-2-y...) Show SMILES CCC[C@H](CN(O)C=O)C(=O)N1CCC[C@H]1c1nc2ccccc2o1 |r| Show InChI InChI=1S/C18H23N3O4/c1-2-6-13(11-20(24)12-22)18(23)21-10-5-8-15(21)17-19-14-7-3-4-9-16(14)25-17/h3-4,7,9,12-13,15,24H,2,5-6,8,10-11H2,1H3/t13-,15+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis peptide deformylase expressed in Escherichia coli M15(pREp4) by microplate assay				Bioorg Med Chem Lett 18: 6568-72 (2008) Article DOI: 10.1016/j.bmcl.2008.10.040 BindingDB Entry DOI: 10.7270/Q2VX0GCD
					More data for this Ligand-Target Pair				3D Structure (docked)
Dihydrofolate reductase (Mycobacterium tuberculosis)	BDBM50290154 (CHEMBL3245817) Show SMILES CCOC(=O)CC[C@H](NC(=O)c1ccc(cc1)N(C)Cc1cnc2nc(N)nc(N)c2n1)C(=O)OCC |r| Show InChI InChI=1S/C24H30N8O5/c1-4-36-18(33)11-10-17(23(35)37-5-2)29-22(34)14-6-8-16(9-7-14)32(3)13-15-12-27-21-19(28-15)20(25)30-24(26)31-21/h6-9,12,17H,4-5,10-11,13H2,1-3H3,(H,29,34)(H4,25,26,27,30,31)/t17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis H37Rv DHFR expressed in Escherichia coli BL21(DE3) assessed as reduction in consumption of NADPH using DHF a...				Eur J Med Chem 144: 262-276 (2018) Article DOI: 10.1016/j.ejmech.2017.12.017 BindingDB Entry DOI: 10.7270/Q2VT1VNW
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Mycobacterium tuberculosis)	BDBM66082 ((2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methy...) Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O Show InChI InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis His-tagged DHFR assessed as reduction in consumption of NADPH using DHF as substrate measured every 30 secs ...				Eur J Med Chem 144: 262-276 (2018) Article DOI: 10.1016/j.ejmech.2017.12.017 BindingDB Entry DOI: 10.7270/Q2VT1VNW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peptide deformylase (Mycobacterium tuberculosis)	BDBM50255066 ((S)-2-((S)-2-(benzo[d]oxazol-2-yl)pyrrolidine-1-ca...) Show SMILES CCCC[C@H](C(=O)NO)C(=O)N1CCC[C@H]1c1nc2ccccc2o1 |r| Show InChI InChI=1S/C18H23N3O4/c1-2-3-7-12(16(22)20-24)18(23)21-11-6-9-14(21)17-19-13-8-4-5-10-15(13)25-17/h4-5,8,10,12,14,24H,2-3,6-7,9,11H2,1H3,(H,20,22)/t12-,14+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis peptide deformylase expressed in Escherichia coli M15(pREp4) by microplate assay				Bioorg Med Chem Lett 18: 6568-72 (2008) Article DOI: 10.1016/j.bmcl.2008.10.040 BindingDB Entry DOI: 10.7270/Q2VX0GCD
					More data for this Ligand-Target Pair				3D Structure (docked)
Dihydrofolate reductase (Mycobacterium tuberculosis)	BDBM50290153 (CHEMBL3245816) Show SMILES COC(=O)CC[C@H](NC(=O)c1ccc(cc1)N(C)Cc1cnc2nc(N)nc(N)c2n1)C(=O)OC |r| Show InChI InChI=1S/C22H26N8O5/c1-30(11-13-10-25-19-17(26-13)18(23)28-22(24)29-19)14-6-4-12(5-7-14)20(32)27-15(21(33)35-3)8-9-16(31)34-2/h4-7,10,15H,8-9,11H2,1-3H3,(H,27,32)(H4,23,24,25,28,29)/t15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis H37Rv DHFR expressed in Escherichia coli BL21(DE3) assessed as reduction in consumption of NADPH using DHF a...				Eur J Med Chem 144: 262-276 (2018) Article DOI: 10.1016/j.ejmech.2017.12.017 BindingDB Entry DOI: 10.7270/Q2VT1VNW
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Mycobacterium tuberculosis)	BDBM50290151 (CHEMBL531405 | TCMDC-132109) Show SMILES COc1ccc(cc1)-c1nc2c(N)nc(N)nc2nc1C(C)C Show InChI InChI=1S/C16H18N6O/c1-8(2)11-12(9-4-6-10(23-3)7-5-9)19-13-14(17)21-16(18)22-15(13)20-11/h4-8H,1-3H3,(H4,17,18,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis H37Rv DHFR expressed in Escherichia coli assessed as reduction in consumption of NADPH using DHF as substrat...				Eur J Med Chem 144: 262-276 (2018) Article DOI: 10.1016/j.ejmech.2017.12.017 BindingDB Entry DOI: 10.7270/Q2VT1VNW
					More data for this Ligand-Target Pair
tRNA (guanine-N(1)-)-methyltransferase (Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22...)	BDBM50519348 (CHEMBL4517402) Show SMILES CCCCCCCCNCc1ccc(CNC(=O)c2csc3nc[nH]c(=O)c23)cc1 Show InChI InChI=1S/C23H30N4O2S/c1-2-3-4-5-6-7-12-24-13-17-8-10-18(11-9-17)14-25-21(28)19-15-30-23-20(19)22(29)26-16-27-23/h8-11,15-16,24H,2-7,12-14H2,1H3,(H,25,28)(H,26,27,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Singapore-MIT Alliance for Research and Technology Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa tRNA (guanine(37)-N1)-methyltransferase (Leu5 to Asp25 residues) expressed in Escherichia coli BL21 Rosetta (DE3...				J Med Chem 62: 7788-7805 (2019) Article DOI: 10.1021/acs.jmedchem.9b00582 BindingDB Entry DOI: 10.7270/Q2C250TC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peptide deformylase (Mycobacterium tuberculosis)	BDBM50255004 (CHEMBL481391 | N-((R)-3-((S)-2-(1H-benzo[d]imidazo...) Show SMILES ON(C[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1)C=O |r| Show InChI InChI=1S/C22H24N4O3/c27-15-25(29)14-17(13-16-7-2-1-3-8-16)22(28)26-12-6-11-20(26)21-23-18-9-4-5-10-19(18)24-21/h1-5,7-10,15,17,20,29H,6,11-14H2,(H,23,24)/t17-,20+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis peptide deformylase expressed in Escherichia coli M15(pREp4) by microplate assay				Bioorg Med Chem Lett 18: 6568-72 (2008) Article DOI: 10.1016/j.bmcl.2008.10.040 BindingDB Entry DOI: 10.7270/Q2VX0GCD
					More data for this Ligand-Target Pair
tRNA (guanine-N(1)-)-methyltransferase (Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22...)	BDBM50519358 (CHEMBL4447065) Show SMILES Cl.NCCCCNCc1ccc(CNC(=O)c2csc3nc[nH]c(=O)c23)cc1 Show InChI InChI=1S/C19H23N5O2S/c20-7-1-2-8-21-9-13-3-5-14(6-4-13)10-22-17(25)15-11-27-19-16(15)18(26)23-12-24-19/h3-6,11-12,21H,1-2,7-10,20H2,(H,22,25)(H,23,24,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Singapore-MIT Alliance for Research and Technology Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa tRNA (guanine(37)-N1)-methyltransferase (Leu5 to Asp25 residues) expressed in Escherichia coli BL21 (DE3) Rosett...				J Med Chem 62: 7788-7805 (2019) Article DOI: 10.1021/acs.jmedchem.9b00582 BindingDB Entry DOI: 10.7270/Q2C250TC
					More data for this Ligand-Target Pair
tRNA (guanine-N(1)-)-methyltransferase (Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22...)	BDBM50519366 (CHEMBL4463176) Show SMILES CCCCCNCc1ccc(CNC(=O)c2csc3nc[nH]c(=O)c23)cc1 Show InChI InChI=1S/C20H24N4O2S/c1-2-3-4-9-21-10-14-5-7-15(8-6-14)11-22-18(25)16-12-27-20-17(16)19(26)23-13-24-20/h5-8,12-13,21H,2-4,9-11H2,1H3,(H,22,25)(H,23,24,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	85	n/a	n/a	n/a	n/a	n/a	n/a
Singapore-MIT Alliance for Research and Technology Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa tRNA (guanine(37)-N1)-methyltransferase (Leu5 to Asp25 residues) expressed in Escherichia coli BL21 (DE3) Rosett...				J Med Chem 62: 7788-7805 (2019) Article DOI: 10.1021/acs.jmedchem.9b00582 BindingDB Entry DOI: 10.7270/Q2C250TC
					More data for this Ligand-Target Pair
tRNA (guanine-N(1)-)-methyltransferase (Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22...)	BDBM50519347 (CHEMBL4555967) Show SMILES OCCOCCNCc1ccc(CNC(=O)c2csc3nc[nH]c(=O)c23)cc1 Show InChI InChI=1S/C19H22N4O4S/c24-6-8-27-7-5-20-9-13-1-3-14(4-2-13)10-21-17(25)15-11-28-19-16(15)18(26)22-12-23-19/h1-4,11-12,20,24H,5-10H2,(H,21,25)(H,22,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Singapore-MIT Alliance for Research and Technology Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa tRNA (guanine(37)-N1)-methyltransferase (Leu5 to Asp25 residues) expressed in Escherichia coli BL21 (DE3) Rosett...				J Med Chem 62: 7788-7805 (2019) Article DOI: 10.1021/acs.jmedchem.9b00582 BindingDB Entry DOI: 10.7270/Q2C250TC
					More data for this Ligand-Target Pair
tRNA (guanine-N(1)-)-methyltransferase (Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22...)	BDBM50519357 (CHEMBL4543513) Show SMILES Cl.NCCCCCNCc1ccc(CNC(=O)c2csc3nc[nH]c(=O)c23)cc1 Show InChI InChI=1S/C20H25N5O2S/c21-8-2-1-3-9-22-10-14-4-6-15(7-5-14)11-23-18(26)16-12-28-20-17(16)19(27)24-13-25-20/h4-7,12-13,22H,1-3,8-11,21H2,(H,23,26)(H,24,25,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Singapore-MIT Alliance for Research and Technology Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa tRNA (guanine(37)-N1)-methyltransferase (Leu5 to Asp25 residues) expressed in Escherichia coli BL21 (DE3) Rosett...				J Med Chem 62: 7788-7805 (2019) Article DOI: 10.1021/acs.jmedchem.9b00582 BindingDB Entry DOI: 10.7270/Q2C250TC
					More data for this Ligand-Target Pair
tRNA (guanine-N(1)-)-methyltransferase (Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22...)	BDBM50519346 (CHEMBL4580116) Show SMILES O=C(NCc1ccc(CNCc2ccccc2)cc1)c1csc2nc[nH]c(=O)c12 Show InChI InChI=1S/C22H20N4O2S/c27-20(18-13-29-22-19(18)21(28)25-14-26-22)24-12-17-8-6-16(7-9-17)11-23-10-15-4-2-1-3-5-15/h1-9,13-14,23H,10-12H2,(H,24,27)(H,25,26,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Singapore-MIT Alliance for Research and Technology Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa tRNA (guanine(37)-N1)-methyltransferase (Leu5 to Asp25 residues) expressed in Escherichia coli BL21 (DE3) Rosett...				J Med Chem 62: 7788-7805 (2019) Article DOI: 10.1021/acs.jmedchem.9b00582 BindingDB Entry DOI: 10.7270/Q2C250TC
					More data for this Ligand-Target Pair
tRNA (guanine-N(1)-)-methyltransferase (Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22...)	BDBM50519367 (CHEMBL4437560) Show SMILES Cl.NCCCCCCCNCc1ccc(CNC(=O)c2csc3nc[nH]c(=O)c23)cc1 Show InChI InChI=1S/C22H29N5O2S/c23-10-4-2-1-3-5-11-24-12-16-6-8-17(9-7-16)13-25-20(28)18-14-30-22-19(18)21(29)26-15-27-22/h6-9,14-15,24H,1-5,10-13,23H2,(H,25,28)(H,26,27,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Singapore-MIT Alliance for Research and Technology Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa tRNA (guanine(37)-N1)-methyltransferase (Leu5 to Asp25 residues) expressed in Escherichia coli BL21 (DE3) Rosett...				J Med Chem 62: 7788-7805 (2019) Article DOI: 10.1021/acs.jmedchem.9b00582 BindingDB Entry DOI: 10.7270/Q2C250TC
					More data for this Ligand-Target Pair
tRNA (guanine-N(1)-)-methyltransferase (Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22...)	BDBM50519354 (CHEMBL4469887) Show SMILES CCCCNCc1ccc(CNC(=O)c2csc3nc[nH]c(=O)c23)cc1 Show InChI InChI=1S/C19H22N4O2S/c1-2-3-8-20-9-13-4-6-14(7-5-13)10-21-17(24)15-11-26-19-16(15)18(25)22-12-23-19/h4-7,11-12,20H,2-3,8-10H2,1H3,(H,21,24)(H,22,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Singapore-MIT Alliance for Research and Technology Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa tRNA (guanine(37)-N1)-methyltransferase (Leu5 to Asp25 residues) expressed in Escherichia coli BL21 (DE3) Rosett...				J Med Chem 62: 7788-7805 (2019) Article DOI: 10.1021/acs.jmedchem.9b00582 BindingDB Entry DOI: 10.7270/Q2C250TC
					More data for this Ligand-Target Pair
Peptide deformylase (Mycobacterium tuberculosis)	BDBM50255034 (CHEMBL518077 | N-((R)-3-((S)-2-(benzo[d]oxazol-2-y...) Show SMILES ON(C[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1c1nc2ccccc2o1)C=O |r| Show InChI InChI=1S/C22H23N3O4/c26-15-24(28)14-17(13-16-7-2-1-3-8-16)22(27)25-12-6-10-19(25)21-23-18-9-4-5-11-20(18)29-21/h1-5,7-9,11,15,17,19,28H,6,10,12-14H2/t17-,19+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	161	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis peptide deformylase expressed in Escherichia coli M15(pREp4) by microplate assay				Bioorg Med Chem Lett 18: 6568-72 (2008) Article DOI: 10.1016/j.bmcl.2008.10.040 BindingDB Entry DOI: 10.7270/Q2VX0GCD
					More data for this Ligand-Target Pair				3D Structure (docked)
tRNA (guanine-N(1)-)-methyltransferase (Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22...)	BDBM50519349 (CHEMBL2431997) Show SMILES NC1CCN(Cc2ccc(CNC(=O)c3csc4nc[nH]c(=O)c34)cc2)CC1 Show InChI InChI=1S/C20H23N5O2S/c21-15-5-7-25(8-6-15)10-14-3-1-13(2-4-14)9-22-18(26)16-11-28-20-17(16)19(27)23-12-24-20/h1-4,11-12,15H,5-10,21H2,(H,22,26)(H,23,24,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Singapore-MIT Alliance for Research and Technology Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa tRNA (guanine(37)-N1)-methyltransferase (Leu5 to Asp25 residues) expressed in Escherichia coli BL21 (DE3) Rosett...				J Med Chem 62: 7788-7805 (2019) Article DOI: 10.1021/acs.jmedchem.9b00582 BindingDB Entry DOI: 10.7270/Q2C250TC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peptide deformylase (Mycobacterium tuberculosis)	BDBM50255063 ((R)-3-((S)-2-(1H-benzo[d]imidazol-2-yl)pyrrolidine...) Show SMILES CCCC[C@H](CC(O)=O)C(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 |r| Show InChI InChI=1S/C19H25N3O3/c1-2-3-7-13(12-17(23)24)19(25)22-11-6-10-16(22)18-20-14-8-4-5-9-15(14)21-18/h4-5,8-9,13,16H,2-3,6-7,10-12H2,1H3,(H,20,21)(H,23,24)/t13-,16+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	202	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis peptide deformylase expressed in Escherichia coli M15(pREp4) by microplate assay				Bioorg Med Chem Lett 18: 6568-72 (2008) Article DOI: 10.1016/j.bmcl.2008.10.040 BindingDB Entry DOI: 10.7270/Q2VX0GCD
					More data for this Ligand-Target Pair
tRNA (guanine-N(1)-)-methyltransferase (Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22...)	BDBM50519355 (CHEMBL4460223) Show SMILES CCOCCOCCNCc1ccc(CNC(=O)c2csc3nc[nH]c(=O)c23)cc1 Show InChI InChI=1S/C21H26N4O4S/c1-2-28-9-10-29-8-7-22-11-15-3-5-16(6-4-15)12-23-19(26)17-13-30-21-18(17)20(27)24-14-25-21/h3-6,13-14,22H,2,7-12H2,1H3,(H,23,26)(H,24,25,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Singapore-MIT Alliance for Research and Technology Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa tRNA (guanine(37)-N1)-methyltransferase (Leu5 to Asp25 residues) expressed in Escherichia coli BL21 (DE3) Rosett...				J Med Chem 62: 7788-7805 (2019) Article DOI: 10.1021/acs.jmedchem.9b00582 BindingDB Entry DOI: 10.7270/Q2C250TC
					More data for this Ligand-Target Pair
Botulinum neurotoxin type A (Clostridium botulinum)	BDBM50383525 (CHEMBL2032269) Show SMILES ONC(=O)\C=C\c1ccc(cc1Cl)-c1cccnc1 Show InChI InChI=1S/C14H11ClN2O2/c15-13-8-11(12-2-1-7-16-9-12)4-3-10(13)5-6-14(18)17-19/h1-9,19H,(H,17,18)/b6-5+	PDB MMDB NCI pathway Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Fox Chase Chemical Diversity Center Curated by ChEMBL					Assay Description Inhibition of clostridium botulinum Botulinum neurotoxin type A using SNAPide as substrate by FRET analysis				Bioorg Med Chem Lett 22: 3754-7 (2012) Article DOI: 10.1016/j.bmcl.2012.04.019 BindingDB Entry DOI: 10.7270/Q21C1XWX
					More data for this Ligand-Target Pair
tRNA (guanine-N(1)-)-methyltransferase (Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22...)	BDBM50519348 (CHEMBL4517402) Show SMILES CCCCCCCCNCc1ccc(CNC(=O)c2csc3nc[nH]c(=O)c23)cc1 Show InChI InChI=1S/C23H30N4O2S/c1-2-3-4-5-6-7-12-24-13-17-8-10-18(11-9-17)14-25-21(28)19-15-30-23-20(19)22(29)26-16-27-23/h8-11,15-16,24H,2-7,12-14H2,1H3,(H,25,28)(H,26,27,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Singapore-MIT Alliance for Research and Technology Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa tRNA (guanine(37)-N1)-methyltransferase (Leu5 to Asp25 residues) expressed in Escherichia coli BL21 Rosetta (DE3...				J Med Chem 62: 7788-7805 (2019) Article DOI: 10.1021/acs.jmedchem.9b00582 BindingDB Entry DOI: 10.7270/Q2C250TC
					More data for this Ligand-Target Pair				3D Structure (crystal)
tRNA (guanine-N(1)-)-methyltransferase (Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22...)	BDBM50519349 (CHEMBL2431997) Show SMILES NC1CCN(Cc2ccc(CNC(=O)c3csc4nc[nH]c(=O)c34)cc2)CC1 Show InChI InChI=1S/C20H23N5O2S/c21-15-5-7-25(8-6-15)10-14-3-1-13(2-4-14)9-22-18(26)16-11-28-20-17(16)19(27)23-12-24-20/h1-4,11-12,15H,5-10,21H2,(H,22,26)(H,23,24,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
Singapore-MIT Alliance for Research and Technology Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa tRNA (guanine(37)-N1)-methyltransferase (Leu5 to Asp25 residues) expressed in Escherichia coli BL21 Rosetta (DE3...				J Med Chem 62: 7788-7805 (2019) Article DOI: 10.1021/acs.jmedchem.9b00582 BindingDB Entry DOI: 10.7270/Q2C250TC
					More data for this Ligand-Target Pair				3D Structure (crystal)
tRNA (guanine-N(1)-)-methyltransferase (Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22...)	BDBM50519352 (CHEMBL4458857) Show SMILES CCCCCCCCN(CC)Cc1ccc(CNC(=O)c2csc3nc[nH]c(=O)c23)cc1 Show InChI InChI=1S/C25H34N4O2S/c1-3-5-6-7-8-9-14-29(4-2)16-20-12-10-19(11-13-20)15-26-23(30)21-17-32-25-22(21)24(31)27-18-28-25/h10-13,17-18H,3-9,14-16H2,1-2H3,(H,26,30)(H,27,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
Singapore-MIT Alliance for Research and Technology Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa tRNA (guanine(37)-N1)-methyltransferase (Leu5 to Asp25 residues) expressed in Escherichia coli BL21 (DE3) Rosett...				J Med Chem 62: 7788-7805 (2019) Article DOI: 10.1021/acs.jmedchem.9b00582 BindingDB Entry DOI: 10.7270/Q2C250TC
					More data for this Ligand-Target Pair
tRNA (guanine-N(1)-)-methyltransferase (Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22...)	BDBM50519363 (CHEMBL4544475) Show SMILES CCCCCCCCCCCCNCc1ccc(CNC(=O)c2csc3nc[nH]c(=O)c23)cc1 Show InChI InChI=1S/C27H38N4O2S/c1-2-3-4-5-6-7-8-9-10-11-16-28-17-21-12-14-22(15-13-21)18-29-25(32)23-19-34-27-24(23)26(33)30-20-31-27/h12-15,19-20,28H,2-11,16-18H2,1H3,(H,29,32)(H,30,31,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
Singapore-MIT Alliance for Research and Technology Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa tRNA (guanine(37)-N1)-methyltransferase (Leu5 to Asp25 residues) expressed in Escherichia coli BL21 (DE3) Rosett...				J Med Chem 62: 7788-7805 (2019) Article DOI: 10.1021/acs.jmedchem.9b00582 BindingDB Entry DOI: 10.7270/Q2C250TC
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50290151 (CHEMBL531405 | TCMDC-132109) Show SMILES COc1ccc(cc1)-c1nc2c(N)nc(N)nc2nc1C(C)C Show InChI InChI=1S/C16H18N6O/c1-8(2)11-12(9-4-6-10(23-3)7-5-9)19-13-14(17)21-16(18)22-15(13)20-11/h4-8H,1-3H3,(H4,17,18,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	382	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of human DHFR assessed as reduction in consumption of NADPH using DHF as substrate by fluorescence method				Eur J Med Chem 144: 262-276 (2018) Article DOI: 10.1016/j.ejmech.2017.12.017 BindingDB Entry DOI: 10.7270/Q2VT1VNW
					More data for this Ligand-Target Pair
tRNA (guanine-N(1)-)-methyltransferase (Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22...)	BDBM50519356 (CHEMBL4442893) Show SMILES Cl.NCCOCCOCCNCc1ccc(CNC(=O)c2csc3nc[nH]c(=O)c23)cc1 Show InChI InChI=1S/C21H27N5O4S/c22-5-7-29-9-10-30-8-6-23-11-15-1-3-16(4-2-15)12-24-19(27)17-13-31-21-18(17)20(28)25-14-26-21/h1-4,13-14,23H,5-12,22H2,(H,24,27)(H,25,26,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
Singapore-MIT Alliance for Research and Technology Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa tRNA (guanine(37)-N1)-methyltransferase (Leu5 to Asp25 residues) expressed in Escherichia coli BL21 (DE3) Rosett...				J Med Chem 62: 7788-7805 (2019) Article DOI: 10.1021/acs.jmedchem.9b00582 BindingDB Entry DOI: 10.7270/Q2C250TC
					More data for this Ligand-Target Pair
tRNA (guanine-N(1)-)-methyltransferase (Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22...)	BDBM50519364 (CHEMBL4435700) Show SMILES CCN(Cc1ccc(CNC(=O)c2csc3nc[nH]c(=O)c23)cc1)C1CCCCC1 Show InChI InChI=1S/C23H28N4O2S/c1-2-27(18-6-4-3-5-7-18)13-17-10-8-16(9-11-17)12-24-21(28)19-14-30-23-20(19)22(29)25-15-26-23/h8-11,14-15,18H,2-7,12-13H2,1H3,(H,24,28)(H,25,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a	n/a
Singapore-MIT Alliance for Research and Technology Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa tRNA (guanine(37)-N1)-methyltransferase (Leu5 to Asp25 residues) expressed in Escherichia coli BL21 (DE3) Rosett...				J Med Chem 62: 7788-7805 (2019) Article DOI: 10.1021/acs.jmedchem.9b00582 BindingDB Entry DOI: 10.7270/Q2C250TC
					More data for this Ligand-Target Pair
Botulinum neurotoxin type A (Clostridium botulinum)	BDBM50383533 (CHEMBL2032254) Show SMILES Nc1ccccc1-c1ccc(\C=C\C(=O)NO)c(Cl)c1 Show InChI InChI=1S/C15H13ClN2O2/c16-13-9-11(12-3-1-2-4-14(12)17)6-5-10(13)7-8-15(19)18-20/h1-9,20H,17H2,(H,18,19)/b8-7+	PDB MMDB NCI pathway Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Fox Chase Chemical Diversity Center Curated by ChEMBL					Assay Description Inhibition of clostridium botulinum Botulinum neurotoxin type A using SNAPide as substrate by FRET analysis				Bioorg Med Chem Lett 22: 3754-7 (2012) Article DOI: 10.1016/j.bmcl.2012.04.019 BindingDB Entry DOI: 10.7270/Q21C1XWX
					More data for this Ligand-Target Pair
Botulinum neurotoxin type A (Clostridium botulinum)	BDBM50383550 (CHEMBL2032381) Show SMILES COc1ccc(cn1)-c1ccc(\C=C\C(=O)NO)c(Cl)c1 Show InChI InChI=1S/C15H13ClN2O3/c1-21-15-7-5-12(9-17-15)11-3-2-10(13(16)8-11)4-6-14(19)18-20/h2-9,20H,1H3,(H,18,19)/b6-4+	PDB MMDB NCI pathway Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	560	n/a	n/a	n/a	n/a	n/a	n/a
Fox Chase Chemical Diversity Center Curated by ChEMBL					Assay Description Inhibition of clostridium botulinum Botulinum neurotoxin type A using SNAPide as substrate by FRET analysis				Bioorg Med Chem Lett 22: 3754-7 (2012) Article DOI: 10.1016/j.bmcl.2012.04.019 BindingDB Entry DOI: 10.7270/Q21C1XWX
					More data for this Ligand-Target Pair
Botulinum neurotoxin type A2 [1-425] (Clostridium botulinum)	BDBM23290 ((2E)-3-[4-chloro-2-(trifluoromethyl)phenyl]-N-hydr...) Show SMILES ONC(=O)\C=C\c1ccc(Cl)cc1C(F)(F)F Show InChI InChI=1S/C10H7ClF3NO2/c11-7-3-1-6(2-4-9(16)15-17)8(5-7)10(12,13)14/h1-5,17H,(H,15,16)/b4-2+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	7.4	23
The Scripps Research Institute					Assay Description Recombinant BoNT LC/A activity was measured in black 96-well microtiter plates by use of a Molecular Devices (Sunnyvale, CA) SpectraMax GeminiEM plat...				Bioorg Med Chem Lett 17: 6463-6 (2007) Article DOI: 10.1016/j.bmcl.2007.09.103 BindingDB Entry DOI: 10.7270/Q20G3HFM
					More data for this Ligand-Target Pair
Botulinum neurotoxin type A (Clostridium botulinum)	BDBM50383556 (CHEMBL2032387) Show SMILES ONC(=O)\C=C\c1ccc(cc1Cl)-c1ccncc1 Show InChI InChI=1S/C14H11ClN2O2/c15-13-9-12(10-5-7-16-8-6-10)2-1-11(13)3-4-14(18)17-19/h1-9,19H,(H,17,18)/b4-3+	PDB MMDB NCI pathway Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	610	n/a	n/a	n/a	n/a	n/a	n/a
Fox Chase Chemical Diversity Center Curated by ChEMBL					Assay Description Inhibition of clostridium botulinum Botulinum neurotoxin type A using SNAPide as substrate by FRET analysis				Bioorg Med Chem Lett 22: 3754-7 (2012) Article DOI: 10.1016/j.bmcl.2012.04.019 BindingDB Entry DOI: 10.7270/Q21C1XWX
					More data for this Ligand-Target Pair
Botulinum neurotoxin type A (Clostridium botulinum)	BDBM50383532 (CHEMBL2032249) Show SMILES ONC(=O)\C=C\c1ccc(cc1Cl)-c1cc(F)c(F)c(F)c1 Show InChI InChI=1S/C15H9ClF3NO2/c16-11-5-9(2-1-8(11)3-4-14(21)20-22)10-6-12(17)15(19)13(18)7-10/h1-7,22H,(H,20,21)/b4-3+	PDB MMDB NCI pathway Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	640	n/a	n/a	n/a	n/a	n/a	n/a
Fox Chase Chemical Diversity Center Curated by ChEMBL					Assay Description Inhibition of clostridium botulinum Botulinum neurotoxin type A using SNAPide as substrate by FRET analysis				Bioorg Med Chem Lett 22: 3754-7 (2012) Article DOI: 10.1016/j.bmcl.2012.04.019 BindingDB Entry DOI: 10.7270/Q21C1XWX
					More data for this Ligand-Target Pair
Botulinum neurotoxin type A (Clostridium botulinum)	BDBM50383552 (CHEMBL2032383) Show SMILES COc1ncccc1-c1ccc(\C=C\C(=O)NO)c(Cl)c1 Show InChI InChI=1S/C15H13ClN2O3/c1-21-15-12(3-2-8-17-15)11-5-4-10(13(16)9-11)6-7-14(19)18-20/h2-9,20H,1H3,(H,18,19)/b7-6+	PDB MMDB NCI pathway Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	660	n/a	n/a	n/a	n/a	n/a	n/a
Fox Chase Chemical Diversity Center Curated by ChEMBL					Assay Description Inhibition of clostridium botulinum Botulinum neurotoxin type A using SNAPide as substrate by FRET analysis				Bioorg Med Chem Lett 22: 3754-7 (2012) Article DOI: 10.1016/j.bmcl.2012.04.019 BindingDB Entry DOI: 10.7270/Q21C1XWX
					More data for this Ligand-Target Pair
Botulinum neurotoxin type A (Clostridium botulinum)	BDBM23274 ((2E)-3-(2,4-dichlorophenyl)-N-hydroxyprop-2-enamid...) Show SMILES ONC(=O)\C=C\c1ccc(Cl)cc1Cl Show InChI InChI=1S/C9H7Cl2NO2/c10-7-3-1-6(8(11)5-7)2-4-9(13)12-14/h1-5,14H,(H,12,13)/b4-2+	PDB MMDB NCI pathway Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	670	n/a	n/a	n/a	n/a	n/a	n/a
Fox Chase Chemical Diversity Center Curated by ChEMBL					Assay Description Inhibition of clostridium botulinum Botulinum neurotoxin type A using SNAPide as substrate by FRET analysis				Bioorg Med Chem Lett 22: 3754-7 (2012) Article DOI: 10.1016/j.bmcl.2012.04.019 BindingDB Entry DOI: 10.7270/Q21C1XWX
					More data for this Ligand-Target Pair				3D Structure (crystal)

Displayed 1 to 50 (of 217 total )  |  Next  |  Last  >>

Jump to: