Compile Data Set for Download or QSAR

Found 89 hits with Last Name = 'degani' and Initial = 'ms'   

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
Dihydrofolate reductase (Homo sapiens (Human))	BDBM18050 (2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...) Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| 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 CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human DHFR using 45 uM DHF as substrate by spectrophotometry				ACS Med Chem Lett 6: 1140-4 (2015) Article DOI: 10.1021/acsmedchemlett.5b00367 BindingDB Entry DOI: 10.7270/Q25H7J3Z
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Mycobacterium tuberculosis)	BDBM18050 (2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...) Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| 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 CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	8.30	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of recombinant Mycobacterium tuberculosis DHFR using 45 uM DHF as substrate by spectrophotometry				ACS Med Chem Lett 6: 1140-4 (2015) Article DOI: 10.1021/acsmedchemlett.5b00367 BindingDB Entry DOI: 10.7270/Q25H7J3Z
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM233037 (1-(4-(Biphenyl-4-ylmethoxy)phenyl)-6,6-dimethyl-1,...) Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(OCc2ccc(cc2)-c2ccccc2)cc1 |t:3,6| Show InChI InChI=1S/C24H25N5O/c1-24(2)28-22(25)27-23(26)29(24)20-12-14-21(15-13-20)30-16-17-8-10-19(11-9-17)18-6-4-3-5-7-18/h3-15H,16H2,1-2H3,(H4,25,26,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology					Assay Description The synthesized compounds were evaluated for their ability to inhibit DHFR from pc, tg, ma, and rl using a continuous spectrophotometric assay measur...				J Enzyme Inhib Med Chem 25: 331-9 (2010) Article DOI: 10.3109/14756360903179443 BindingDB Entry DOI: 10.7270/Q2QJ7G6S
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM233034 (1-(4-(2,4-Dichlorobenzyloxy)phenyl)-6,6-dimethyl-1...) Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 |t:3,6| Show InChI InChI=1S/C18H19Cl2N5O/c1-18(2)24-16(21)23-17(22)25(18)13-5-7-14(8-6-13)26-10-11-3-4-12(19)9-15(11)20/h3-9H,10H2,1-2H3,(H4,21,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology					Assay Description The synthesized compounds were evaluated for their ability to inhibit DHFR from pc, tg, ma, and rl using a continuous spectrophotometric assay measur...				J Enzyme Inhib Med Chem 25: 331-9 (2010) Article DOI: 10.3109/14756360903179443 BindingDB Entry DOI: 10.7270/Q2QJ7G6S
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM233036 (1-(4-(4-Methoxybenzyloxy)phenyl)-6,6-dimethyl-1,6-...) Show SMILES COc1ccc(COc2ccc(cc2)N2C(N)=NC(N)=NC2(C)C)cc1 |c:17,20| Show InChI InChI=1S/C19H23N5O2/c1-19(2)23-17(20)22-18(21)24(19)14-6-10-16(11-7-14)26-12-13-4-8-15(25-3)9-5-13/h4-11H,12H2,1-3H3,(H4,20,21,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology					Assay Description The synthesized compounds were evaluated for their ability to inhibit DHFR from pc, tg, ma, and rl using a continuous spectrophotometric assay measur...				J Enzyme Inhib Med Chem 25: 331-9 (2010) Article DOI: 10.3109/14756360903179443 BindingDB Entry DOI: 10.7270/Q2QJ7G6S
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM233032 (1-(4-(3-Chlorobenzyloxy)phenyl)-6,6-dimethyl-1,6-d...) Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(OCc2cccc(Cl)c2)cc1 |t:3,6| Show InChI InChI=1S/C18H20ClN5O/c1-18(2)23-16(20)22-17(21)24(18)14-6-8-15(9-7-14)25-11-12-4-3-5-13(19)10-12/h3-10H,11H2,1-2H3,(H4,20,21,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology					Assay Description The synthesized compounds were evaluated for their ability to inhibit DHFR from pc, tg, ma, and rl using a continuous spectrophotometric assay measur...				J Enzyme Inhib Med Chem 25: 331-9 (2010) Article DOI: 10.3109/14756360903179443 BindingDB Entry DOI: 10.7270/Q2QJ7G6S
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM233037 (1-(4-(Biphenyl-4-ylmethoxy)phenyl)-6,6-dimethyl-1,...) Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(OCc2ccc(cc2)-c2ccccc2)cc1 |t:3,6| Show InChI InChI=1S/C24H25N5O/c1-24(2)28-22(25)27-23(26)29(24)20-12-14-21(15-13-20)30-16-17-8-10-19(11-9-17)18-6-4-3-5-7-18/h3-15H,16H2,1-2H3,(H4,25,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology					Assay Description The synthesized compounds were evaluated for their ability to inhibit DHFR from pc, tg, ma, and rl using a continuous spectrophotometric assay measur...				J Enzyme Inhib Med Chem 25: 331-9 (2010) Article DOI: 10.3109/14756360903179443 BindingDB Entry DOI: 10.7270/Q2QJ7G6S
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM233034 (1-(4-(2,4-Dichlorobenzyloxy)phenyl)-6,6-dimethyl-1...) Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 |t:3,6| Show InChI InChI=1S/C18H19Cl2N5O/c1-18(2)24-16(21)23-17(22)25(18)13-5-7-14(8-6-13)26-10-11-3-4-12(19)9-15(11)20/h3-9H,10H2,1-2H3,(H4,21,22,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology					Assay Description The synthesized compounds were evaluated for their ability to inhibit DHFR from pc, tg, ma, and rl using a continuous spectrophotometric assay measur...				J Enzyme Inhib Med Chem 25: 331-9 (2010) Article DOI: 10.3109/14756360903179443 BindingDB Entry DOI: 10.7270/Q2QJ7G6S
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50405043 (1-(4-(Benzyloxy)phenyl)-6,6-dimethyl-1,6-dihydro-1...) Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(OCc2ccccc2)cc1 |t:3,6| Show InChI InChI=1S/C18H21N5O/c1-18(2)22-16(19)21-17(20)23(18)14-8-10-15(11-9-14)24-12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H4,19,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology					Assay Description The synthesized compounds were evaluated for their ability to inhibit DHFR from pc, tg, ma, and rl using a continuous spectrophotometric assay measur...				J Enzyme Inhib Med Chem 25: 331-9 (2010) Article DOI: 10.3109/14756360903179443 BindingDB Entry DOI: 10.7270/Q2QJ7G6S
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM233035 (1-(4-(4-Bromobenzyloxy)phenyl)-6,6-dimethyl-1,6-di...) Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(OCc2ccc(Br)cc2)cc1 |t:3,6| Show InChI InChI=1S/C18H20BrN5O/c1-18(2)23-16(20)22-17(21)24(18)14-7-9-15(10-8-14)25-11-12-3-5-13(19)6-4-12/h3-10H,11H2,1-2H3,(H4,20,21,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology					Assay Description The synthesized compounds were evaluated for their ability to inhibit DHFR from pc, tg, ma, and rl using a continuous spectrophotometric assay measur...				J Enzyme Inhib Med Chem 25: 331-9 (2010) Article DOI: 10.3109/14756360903179443 BindingDB Entry DOI: 10.7270/Q2QJ7G6S
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM233023 (2-(4-(4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1(...) Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(OCCCCN2C(=O)c3ccccc3C2=O)cc1 |t:3,6| Show InChI InChI=1S/C23H26N6O3/c1-23(2)27-21(24)26-22(25)29(23)15-9-11-16(12-10-15)32-14-6-5-13-28-19(30)17-7-3-4-8-18(17)20(28)31/h3-4,7-12H,5-6,13-14H2,1-2H3,(H4,24,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology					Assay Description The synthesized compounds were evaluated for their ability to inhibit DHFR from pc, tg, ma, and rl using a continuous spectrophotometric assay measur...				J Enzyme Inhib Med Chem 25: 331-9 (2010) Article DOI: 10.3109/14756360903179443 BindingDB Entry DOI: 10.7270/Q2QJ7G6S
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM233035 (1-(4-(4-Bromobenzyloxy)phenyl)-6,6-dimethyl-1,6-di...) Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(OCc2ccc(Br)cc2)cc1 |t:3,6| Show InChI InChI=1S/C18H20BrN5O/c1-18(2)23-16(20)22-17(21)24(18)14-7-9-15(10-8-14)25-11-12-3-5-13(19)6-4-12/h3-10H,11H2,1-2H3,(H4,20,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology					Assay Description The synthesized compounds were evaluated for their ability to inhibit DHFR from pc, tg, ma, and rl using a continuous spectrophotometric assay measur...				J Enzyme Inhib Med Chem 25: 331-9 (2010) Article DOI: 10.3109/14756360903179443 BindingDB Entry DOI: 10.7270/Q2QJ7G6S
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM233032 (1-(4-(3-Chlorobenzyloxy)phenyl)-6,6-dimethyl-1,6-d...) Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(OCc2cccc(Cl)c2)cc1 |t:3,6| Show InChI InChI=1S/C18H20ClN5O/c1-18(2)23-16(20)22-17(21)24(18)14-6-8-15(9-7-14)25-11-12-4-3-5-13(19)10-12/h3-10H,11H2,1-2H3,(H4,20,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology					Assay Description The synthesized compounds were evaluated for their ability to inhibit DHFR from pc, tg, ma, and rl using a continuous spectrophotometric assay measur...				J Enzyme Inhib Med Chem 25: 331-9 (2010) Article DOI: 10.3109/14756360903179443 BindingDB Entry DOI: 10.7270/Q2QJ7G6S
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM233033 (1-(4-(2-Chlorobenzyloxy)phenyl)-6,6-dimethyl-1,6-d...) Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(OCc2ccccc2Cl)cc1 |t:3,6| Show InChI InChI=1S/C18H20ClN5O/c1-18(2)23-16(20)22-17(21)24(18)13-7-9-14(10-8-13)25-11-12-5-3-4-6-15(12)19/h3-10H,11H2,1-2H3,(H4,20,21,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology					Assay Description The synthesized compounds were evaluated for their ability to inhibit DHFR from pc, tg, ma, and rl using a continuous spectrophotometric assay measur...				J Enzyme Inhib Med Chem 25: 331-9 (2010) Article DOI: 10.3109/14756360903179443 BindingDB Entry DOI: 10.7270/Q2QJ7G6S
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM233036 (1-(4-(4-Methoxybenzyloxy)phenyl)-6,6-dimethyl-1,6-...) Show SMILES COc1ccc(COc2ccc(cc2)N2C(N)=NC(N)=NC2(C)C)cc1 |c:17,20| Show InChI InChI=1S/C19H23N5O2/c1-19(2)23-17(20)22-18(21)24(19)14-6-10-16(11-7-14)26-12-13-4-8-15(25-3)9-5-13/h4-11H,12H2,1-3H3,(H4,20,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology					Assay Description The synthesized compounds were evaluated for their ability to inhibit DHFR from pc, tg, ma, and rl using a continuous spectrophotometric assay measur...				J Enzyme Inhib Med Chem 25: 331-9 (2010) Article DOI: 10.3109/14756360903179443 BindingDB Entry DOI: 10.7270/Q2QJ7G6S
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM233033 (1-(4-(2-Chlorobenzyloxy)phenyl)-6,6-dimethyl-1,6-d...) Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(OCc2ccccc2Cl)cc1 |t:3,6| Show InChI InChI=1S/C18H20ClN5O/c1-18(2)23-16(20)22-17(21)24(18)13-7-9-14(10-8-13)25-11-12-5-3-4-6-15(12)19/h3-10H,11H2,1-2H3,(H4,20,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology					Assay Description The synthesized compounds were evaluated for their ability to inhibit DHFR from pc, tg, ma, and rl using a continuous spectrophotometric assay measur...				J Enzyme Inhib Med Chem 25: 331-9 (2010) Article DOI: 10.3109/14756360903179443 BindingDB Entry DOI: 10.7270/Q2QJ7G6S
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM233023 (2-(4-(4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1(...) Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(OCCCCN2C(=O)c3ccccc3C2=O)cc1 |t:3,6| Show InChI InChI=1S/C23H26N6O3/c1-23(2)27-21(24)26-22(25)29(23)15-9-11-16(12-10-15)32-14-6-5-13-28-19(30)17-7-3-4-8-18(17)20(28)31/h3-4,7-12H,5-6,13-14H2,1-2H3,(H4,24,25,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology					Assay Description The synthesized compounds were evaluated for their ability to inhibit DHFR from pc, tg, ma, and rl using a continuous spectrophotometric assay measur...				J Enzyme Inhib Med Chem 25: 331-9 (2010) Article DOI: 10.3109/14756360903179443 BindingDB Entry DOI: 10.7270/Q2QJ7G6S
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50405043 (1-(4-(Benzyloxy)phenyl)-6,6-dimethyl-1,6-dihydro-1...) Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(OCc2ccccc2)cc1 |t:3,6| Show InChI InChI=1S/C18H21N5O/c1-18(2)22-16(19)21-17(20)23(18)14-8-10-15(11-9-14)24-12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H4,19,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology					Assay Description The synthesized compounds were evaluated for their ability to inhibit DHFR from pc, tg, ma, and rl using a continuous spectrophotometric assay measur...				J Enzyme Inhib Med Chem 25: 331-9 (2010) Article DOI: 10.3109/14756360903179443 BindingDB Entry DOI: 10.7270/Q2QJ7G6S
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM233022 (2-(3-(4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1(...) Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(OCCCN2C(=O)c3ccccc3C2=O)cc1 |t:3,6| Show InChI InChI=1S/C22H24N6O3/c1-22(2)26-20(23)25-21(24)28(22)14-8-10-15(11-9-14)31-13-5-12-27-18(29)16-6-3-4-7-17(16)19(27)30/h3-4,6-11H,5,12-13H2,1-2H3,(H4,23,24,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	169	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology					Assay Description The synthesized compounds were evaluated for their ability to inhibit DHFR from pc, tg, ma, and rl using a continuous spectrophotometric assay measur...				J Enzyme Inhib Med Chem 25: 331-9 (2010) Article DOI: 10.3109/14756360903179443 BindingDB Entry DOI: 10.7270/Q2QJ7G6S
					More data for this Ligand-Target Pair
HTH-type transcriptional regulator EthR (Mycobacterium tuberculosis)	BDBM50363052 (CHEMBL1946956) Show SMILES FC(F)(F)CCCC(=O)N1CCC(CC1)c1nc(no1)-c1nccs1 Show InChI InChI=1S/C15H17F3N4O2S/c16-15(17,18)5-1-2-11(23)22-7-3-10(4-8-22)13-20-12(21-24-13)14-19-6-9-25-14/h6,9-10H,1-5,7-8H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis H37Rv EthR				Bioorg Med Chem Lett 29: 1999-2007 (2019) Article DOI: 10.1016/j.bmcl.2019.06.054 BindingDB Entry DOI: 10.7270/Q27S7S9X
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Pneumocystis carinii)	BDBM233037 (1-(4-(Biphenyl-4-ylmethoxy)phenyl)-6,6-dimethyl-1,...) Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(OCc2ccc(cc2)-c2ccccc2)cc1 |t:3,6| Show InChI InChI=1S/C24H25N5O/c1-24(2)28-22(25)27-23(26)29(24)20-12-14-21(15-13-20)30-16-17-8-10-19(11-9-17)18-6-4-3-5-7-18/h3-15H,16H2,1-2H3,(H4,25,26,27,28)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	403	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology					Assay Description The synthesized compounds were evaluated for their ability to inhibit DHFR from pc, tg, ma, and rl using a continuous spectrophotometric assay measur...				J Enzyme Inhib Med Chem 25: 331-9 (2010) Article DOI: 10.3109/14756360903179443 BindingDB Entry DOI: 10.7270/Q2QJ7G6S
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM233021 (2-(2-(4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1(...) Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(OCCN2C(=O)c3ccccc3C2=O)cc1 |t:3,6| Show InChI InChI=1S/C21H22N6O3/c1-21(2)25-19(22)24-20(23)27(21)13-7-9-14(10-8-13)30-12-11-26-17(28)15-5-3-4-6-16(15)18(26)29/h3-10H,11-12H2,1-2H3,(H4,22,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	424	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology					Assay Description The synthesized compounds were evaluated for their ability to inhibit DHFR from pc, tg, ma, and rl using a continuous spectrophotometric assay measur...				J Enzyme Inhib Med Chem 25: 331-9 (2010) Article DOI: 10.3109/14756360903179443 BindingDB Entry DOI: 10.7270/Q2QJ7G6S
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM233024 (2-(3-(4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1(...) Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(OCC(O)CN2C(=O)c3ccccc3C2=O)cc1 |t:3,6| Show InChI InChI=1S/C22H24N6O4/c1-22(2)26-20(23)25-21(24)28(22)13-7-9-15(10-8-13)32-12-14(29)11-27-18(30)16-5-3-4-6-17(16)19(27)31/h3-10,14,29H,11-12H2,1-2H3,(H4,23,24,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	523	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology					Assay Description The synthesized compounds were evaluated for their ability to inhibit DHFR from pc, tg, ma, and rl using a continuous spectrophotometric assay measur...				J Enzyme Inhib Med Chem 25: 331-9 (2010) Article DOI: 10.3109/14756360903179443 BindingDB Entry DOI: 10.7270/Q2QJ7G6S
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM233022 (2-(3-(4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1(...) Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(OCCCN2C(=O)c3ccccc3C2=O)cc1 |t:3,6| Show InChI InChI=1S/C22H24N6O3/c1-22(2)26-20(23)25-21(24)28(22)14-8-10-15(11-9-14)31-13-5-12-27-18(29)16-6-3-4-7-17(16)19(27)30/h3-4,6-11H,5,12-13H2,1-2H3,(H4,23,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	556	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology					Assay Description The synthesized compounds were evaluated for their ability to inhibit DHFR from pc, tg, ma, and rl using a continuous spectrophotometric assay measur...				J Enzyme Inhib Med Chem 25: 331-9 (2010) Article DOI: 10.3109/14756360903179443 BindingDB Entry DOI: 10.7270/Q2QJ7G6S
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Pneumocystis carinii)	BDBM233035 (1-(4-(4-Bromobenzyloxy)phenyl)-6,6-dimethyl-1,6-di...) Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(OCc2ccc(Br)cc2)cc1 |t:3,6| Show InChI InChI=1S/C18H20BrN5O/c1-18(2)23-16(20)22-17(21)24(18)14-7-9-15(10-8-14)25-11-12-3-5-13(19)6-4-12/h3-10H,11H2,1-2H3,(H4,20,21,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	829	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology					Assay Description The synthesized compounds were evaluated for their ability to inhibit DHFR from pc, tg, ma, and rl using a continuous spectrophotometric assay measur...				J Enzyme Inhib Med Chem 25: 331-9 (2010) Article DOI: 10.3109/14756360903179443 BindingDB Entry DOI: 10.7270/Q2QJ7G6S
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Pneumocystis carinii)	BDBM233034 (1-(4-(2,4-Dichlorobenzyloxy)phenyl)-6,6-dimethyl-1...) Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 |t:3,6| Show InChI InChI=1S/C18H19Cl2N5O/c1-18(2)24-16(21)23-17(22)25(18)13-5-7-14(8-6-13)26-10-11-3-4-12(19)9-15(11)20/h3-9H,10H2,1-2H3,(H4,21,22,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.08E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology					Assay Description The synthesized compounds were evaluated for their ability to inhibit DHFR from pc, tg, ma, and rl using a continuous spectrophotometric assay measur...				J Enzyme Inhib Med Chem 25: 331-9 (2010) Article DOI: 10.3109/14756360903179443 BindingDB Entry DOI: 10.7270/Q2QJ7G6S
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Pneumocystis carinii)	BDBM233032 (1-(4-(3-Chlorobenzyloxy)phenyl)-6,6-dimethyl-1,6-d...) Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(OCc2cccc(Cl)c2)cc1 |t:3,6| Show InChI InChI=1S/C18H20ClN5O/c1-18(2)23-16(20)22-17(21)24(18)14-6-8-15(9-7-14)25-11-12-4-3-5-13(19)10-12/h3-10H,11H2,1-2H3,(H4,20,21,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.11E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology					Assay Description The synthesized compounds were evaluated for their ability to inhibit DHFR from pc, tg, ma, and rl using a continuous spectrophotometric assay measur...				J Enzyme Inhib Med Chem 25: 331-9 (2010) Article DOI: 10.3109/14756360903179443 BindingDB Entry DOI: 10.7270/Q2QJ7G6S
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM233021 (2-(2-(4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1(...) Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(OCCN2C(=O)c3ccccc3C2=O)cc1 |t:3,6| Show InChI InChI=1S/C21H22N6O3/c1-21(2)25-19(22)24-20(23)27(21)13-7-9-14(10-8-13)30-12-11-26-17(28)15-5-3-4-6-16(15)18(26)29/h3-10H,11-12H2,1-2H3,(H4,22,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology					Assay Description The synthesized compounds were evaluated for their ability to inhibit DHFR from pc, tg, ma, and rl using a continuous spectrophotometric assay measur...				J Enzyme Inhib Med Chem 25: 331-9 (2010) Article DOI: 10.3109/14756360903179443 BindingDB Entry DOI: 10.7270/Q2QJ7G6S
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Pneumocystis carinii)	BDBM233036 (1-(4-(4-Methoxybenzyloxy)phenyl)-6,6-dimethyl-1,6-...) Show SMILES COc1ccc(COc2ccc(cc2)N2C(N)=NC(N)=NC2(C)C)cc1 |c:17,20| Show InChI InChI=1S/C19H23N5O2/c1-19(2)23-17(20)22-18(21)24(19)14-6-10-16(11-7-14)26-12-13-4-8-15(25-3)9-5-13/h4-11H,12H2,1-3H3,(H4,20,21,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.69E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology					Assay Description The synthesized compounds were evaluated for their ability to inhibit DHFR from pc, tg, ma, and rl using a continuous spectrophotometric assay measur...				J Enzyme Inhib Med Chem 25: 331-9 (2010) Article DOI: 10.3109/14756360903179443 BindingDB Entry DOI: 10.7270/Q2QJ7G6S
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM233024 (2-(3-(4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1(...) Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(OCC(O)CN2C(=O)c3ccccc3C2=O)cc1 |t:3,6| Show InChI InChI=1S/C22H24N6O4/c1-22(2)26-20(23)25-21(24)28(22)13-7-9-15(10-8-13)32-12-14(29)11-27-18(30)16-5-3-4-6-17(16)19(27)31/h3-10,14,29H,11-12H2,1-2H3,(H4,23,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.94E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology					Assay Description The synthesized compounds were evaluated for their ability to inhibit DHFR from pc, tg, ma, and rl using a continuous spectrophotometric assay measur...				J Enzyme Inhib Med Chem 25: 331-9 (2010) Article DOI: 10.3109/14756360903179443 BindingDB Entry DOI: 10.7270/Q2QJ7G6S
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Pneumocystis carinii)	BDBM233033 (1-(4-(2-Chlorobenzyloxy)phenyl)-6,6-dimethyl-1,6-d...) Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(OCc2ccccc2Cl)cc1 |t:3,6| Show InChI InChI=1S/C18H20ClN5O/c1-18(2)23-16(20)22-17(21)24(18)13-7-9-14(10-8-13)25-11-12-5-3-4-6-15(12)19/h3-10H,11H2,1-2H3,(H4,20,21,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.53E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology					Assay Description The synthesized compounds were evaluated for their ability to inhibit DHFR from pc, tg, ma, and rl using a continuous spectrophotometric assay measur...				J Enzyme Inhib Med Chem 25: 331-9 (2010) Article DOI: 10.3109/14756360903179443 BindingDB Entry DOI: 10.7270/Q2QJ7G6S
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Pneumocystis carinii)	BDBM233023 (2-(4-(4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1(...) Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(OCCCCN2C(=O)c3ccccc3C2=O)cc1 |t:3,6| Show InChI InChI=1S/C23H26N6O3/c1-23(2)27-21(24)26-22(25)29(23)15-9-11-16(12-10-15)32-14-6-5-13-28-19(30)17-7-3-4-8-18(17)20(28)31/h3-4,7-12H,5-6,13-14H2,1-2H3,(H4,24,25,26,27)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.61E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology					Assay Description The synthesized compounds were evaluated for their ability to inhibit DHFR from pc, tg, ma, and rl using a continuous spectrophotometric assay measur...				J Enzyme Inhib Med Chem 25: 331-9 (2010) Article DOI: 10.3109/14756360903179443 BindingDB Entry DOI: 10.7270/Q2QJ7G6S
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Mycobacterium avium)	BDBM233036 (1-(4-(4-Methoxybenzyloxy)phenyl)-6,6-dimethyl-1,6-...) Show SMILES COc1ccc(COc2ccc(cc2)N2C(N)=NC(N)=NC2(C)C)cc1 |c:17,20| Show InChI InChI=1S/C19H23N5O2/c1-19(2)23-17(20)22-18(21)24(19)14-6-10-16(11-7-14)26-12-13-4-8-15(25-3)9-5-13/h4-11H,12H2,1-3H3,(H4,20,21,22,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.38E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology					Assay Description The synthesized compounds were evaluated for their ability to inhibit DHFR from pc, tg, ma, and rl using a continuous spectrophotometric assay measur...				J Enzyme Inhib Med Chem 25: 331-9 (2010) Article DOI: 10.3109/14756360903179443 BindingDB Entry DOI: 10.7270/Q2QJ7G6S
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Mycobacterium avium)	BDBM233032 (1-(4-(3-Chlorobenzyloxy)phenyl)-6,6-dimethyl-1,6-d...) Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(OCc2cccc(Cl)c2)cc1 |t:3,6| Show InChI InChI=1S/C18H20ClN5O/c1-18(2)23-16(20)22-17(21)24(18)14-6-8-15(9-7-14)25-11-12-4-3-5-13(19)10-12/h3-10H,11H2,1-2H3,(H4,20,21,22,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.08E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology					Assay Description The synthesized compounds were evaluated for their ability to inhibit DHFR from pc, tg, ma, and rl using a continuous spectrophotometric assay measur...				J Enzyme Inhib Med Chem 25: 331-9 (2010) Article DOI: 10.3109/14756360903179443 BindingDB Entry DOI: 10.7270/Q2QJ7G6S
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Pneumocystis carinii)	BDBM50405043 (1-(4-(Benzyloxy)phenyl)-6,6-dimethyl-1,6-dihydro-1...) Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(OCc2ccccc2)cc1 |t:3,6| Show InChI InChI=1S/C18H21N5O/c1-18(2)22-16(19)21-17(20)23(18)14-8-10-15(11-9-14)24-12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H4,19,20,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology					Assay Description The synthesized compounds were evaluated for their ability to inhibit DHFR from pc, tg, ma, and rl using a continuous spectrophotometric assay measur...				J Enzyme Inhib Med Chem 25: 331-9 (2010) Article DOI: 10.3109/14756360903179443 BindingDB Entry DOI: 10.7270/Q2QJ7G6S
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Pneumocystis carinii)	BDBM233022 (2-(3-(4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1(...) Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(OCCCN2C(=O)c3ccccc3C2=O)cc1 |t:3,6| Show InChI InChI=1S/C22H24N6O3/c1-22(2)26-20(23)25-21(24)28(22)14-8-10-15(11-9-14)31-13-5-12-27-18(29)16-6-3-4-7-17(16)19(27)30/h3-4,6-11H,5,12-13H2,1-2H3,(H4,23,24,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.49E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology					Assay Description The synthesized compounds were evaluated for their ability to inhibit DHFR from pc, tg, ma, and rl using a continuous spectrophotometric assay measur...				J Enzyme Inhib Med Chem 25: 331-9 (2010) Article DOI: 10.3109/14756360903179443 BindingDB Entry DOI: 10.7270/Q2QJ7G6S
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Mycobacterium avium)	BDBM233035 (1-(4-(4-Bromobenzyloxy)phenyl)-6,6-dimethyl-1,6-di...) Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(OCc2ccc(Br)cc2)cc1 |t:3,6| Show InChI InChI=1S/C18H20BrN5O/c1-18(2)23-16(20)22-17(21)24(18)14-7-9-15(10-8-14)25-11-12-3-5-13(19)6-4-12/h3-10H,11H2,1-2H3,(H4,20,21,22,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.32E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology					Assay Description The synthesized compounds were evaluated for their ability to inhibit DHFR from pc, tg, ma, and rl using a continuous spectrophotometric assay measur...				J Enzyme Inhib Med Chem 25: 331-9 (2010) Article DOI: 10.3109/14756360903179443 BindingDB Entry DOI: 10.7270/Q2QJ7G6S
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM233030 (N-{4-[(3-Methoxybenzyl)oxy]phenyl}imidodicarbonimi...) Show SMILES COc1cccc(COc2ccc(NC(=N)NC(N)=N)cc2)c1 Show InChI InChI=1S/C16H19N5O2/c1-22-14-4-2-3-11(9-14)10-23-13-7-5-12(6-8-13)20-16(19)21-15(17)18/h2-9H,10H2,1H3,(H6,17,18,19,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology					Assay Description The synthesized compounds were evaluated for their ability to inhibit DHFR from pc, tg, ma, and rl using a continuous spectrophotometric assay measur...				J Enzyme Inhib Med Chem 25: 331-9 (2010) Article DOI: 10.3109/14756360903179443 BindingDB Entry DOI: 10.7270/Q2QJ7G6S
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Mycobacterium avium)	BDBM233023 (2-(4-(4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1(...) Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(OCCCCN2C(=O)c3ccccc3C2=O)cc1 |t:3,6| Show InChI InChI=1S/C23H26N6O3/c1-23(2)27-21(24)26-22(25)29(23)15-9-11-16(12-10-15)32-14-6-5-13-28-19(30)17-7-3-4-8-18(17)20(28)31/h3-4,7-12H,5-6,13-14H2,1-2H3,(H4,24,25,26,27)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology					Assay Description The synthesized compounds were evaluated for their ability to inhibit DHFR from pc, tg, ma, and rl using a continuous spectrophotometric assay measur...				J Enzyme Inhib Med Chem 25: 331-9 (2010) Article DOI: 10.3109/14756360903179443 BindingDB Entry DOI: 10.7270/Q2QJ7G6S
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM233027 (N-{4-[(2-Chlorobenzyl)oxy]phenyl}imidodicarbonimid...) Show SMILES NC(=N)NC(=N)Nc1ccc(OCc2ccccc2Cl)cc1 Show InChI InChI=1S/C15H16ClN5O/c16-13-4-2-1-3-10(13)9-22-12-7-5-11(6-8-12)20-15(19)21-14(17)18/h1-8H,9H2,(H6,17,18,19,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.95E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology					Assay Description The synthesized compounds were evaluated for their ability to inhibit DHFR from pc, tg, ma, and rl using a continuous spectrophotometric assay measur...				J Enzyme Inhib Med Chem 25: 331-9 (2010) Article DOI: 10.3109/14756360903179443 BindingDB Entry DOI: 10.7270/Q2QJ7G6S
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Mycobacterium avium)	BDBM233037 (1-(4-(Biphenyl-4-ylmethoxy)phenyl)-6,6-dimethyl-1,...) Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(OCc2ccc(cc2)-c2ccccc2)cc1 |t:3,6| Show InChI InChI=1S/C24H25N5O/c1-24(2)28-22(25)27-23(26)29(24)20-12-14-21(15-13-20)30-16-17-8-10-19(11-9-17)18-6-4-3-5-7-18/h3-15H,16H2,1-2H3,(H4,25,26,27,28)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.02E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology					Assay Description The synthesized compounds were evaluated for their ability to inhibit DHFR from pc, tg, ma, and rl using a continuous spectrophotometric assay measur...				J Enzyme Inhib Med Chem 25: 331-9 (2010) Article DOI: 10.3109/14756360903179443 BindingDB Entry DOI: 10.7270/Q2QJ7G6S
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Mycobacterium avium)	BDBM233033 (1-(4-(2-Chlorobenzyloxy)phenyl)-6,6-dimethyl-1,6-d...) Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(OCc2ccccc2Cl)cc1 |t:3,6| Show InChI InChI=1S/C18H20ClN5O/c1-18(2)23-16(20)22-17(21)24(18)13-7-9-14(10-8-13)25-11-12-5-3-4-6-15(12)19/h3-10H,11H2,1-2H3,(H4,20,21,22,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.03E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology					Assay Description The synthesized compounds were evaluated for their ability to inhibit DHFR from pc, tg, ma, and rl using a continuous spectrophotometric assay measur...				J Enzyme Inhib Med Chem 25: 331-9 (2010) Article DOI: 10.3109/14756360903179443 BindingDB Entry DOI: 10.7270/Q2QJ7G6S
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Mycobacterium avium)	BDBM233034 (1-(4-(2,4-Dichlorobenzyloxy)phenyl)-6,6-dimethyl-1...) Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 |t:3,6| Show InChI InChI=1S/C18H19Cl2N5O/c1-18(2)24-16(21)23-17(22)25(18)13-5-7-14(8-6-13)26-10-11-3-4-12(19)9-15(11)20/h3-9H,10H2,1-2H3,(H4,21,22,23,24)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.12E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology					Assay Description The synthesized compounds were evaluated for their ability to inhibit DHFR from pc, tg, ma, and rl using a continuous spectrophotometric assay measur...				J Enzyme Inhib Med Chem 25: 331-9 (2010) Article DOI: 10.3109/14756360903179443 BindingDB Entry DOI: 10.7270/Q2QJ7G6S
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Mycobacterium avium)	BDBM50405043 (1-(4-(Benzyloxy)phenyl)-6,6-dimethyl-1,6-dihydro-1...) Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(OCc2ccccc2)cc1 |t:3,6| Show InChI InChI=1S/C18H21N5O/c1-18(2)22-16(19)21-17(20)23(18)14-8-10-15(11-9-14)24-12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H4,19,20,21,22)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.44E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology					Assay Description The synthesized compounds were evaluated for their ability to inhibit DHFR from pc, tg, ma, and rl using a continuous spectrophotometric assay measur...				J Enzyme Inhib Med Chem 25: 331-9 (2010) Article DOI: 10.3109/14756360903179443 BindingDB Entry DOI: 10.7270/Q2QJ7G6S
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM233030 (N-{4-[(3-Methoxybenzyl)oxy]phenyl}imidodicarbonimi...) Show SMILES COc1cccc(COc2ccc(NC(=N)NC(N)=N)cc2)c1 Show InChI InChI=1S/C16H19N5O2/c1-22-14-4-2-3-11(9-14)10-23-13-7-5-12(6-8-13)20-16(19)21-15(17)18/h2-9H,10H2,1H3,(H6,17,18,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.47E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology					Assay Description The synthesized compounds were evaluated for their ability to inhibit DHFR from pc, tg, ma, and rl using a continuous spectrophotometric assay measur...				J Enzyme Inhib Med Chem 25: 331-9 (2010) Article DOI: 10.3109/14756360903179443 BindingDB Entry DOI: 10.7270/Q2QJ7G6S
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Pneumocystis carinii)	BDBM233021 (2-(2-(4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1(...) Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(OCCN2C(=O)c3ccccc3C2=O)cc1 |t:3,6| Show InChI InChI=1S/C21H22N6O3/c1-21(2)25-19(22)24-20(23)27(21)13-7-9-14(10-8-13)30-12-11-26-17(28)15-5-3-4-6-16(15)18(26)29/h3-10H,11-12H2,1-2H3,(H4,22,23,24,25)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.54E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology					Assay Description The synthesized compounds were evaluated for their ability to inhibit DHFR from pc, tg, ma, and rl using a continuous spectrophotometric assay measur...				J Enzyme Inhib Med Chem 25: 331-9 (2010) Article DOI: 10.3109/14756360903179443 BindingDB Entry DOI: 10.7270/Q2QJ7G6S
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Pneumocystis carinii)	BDBM233030 (N-{4-[(3-Methoxybenzyl)oxy]phenyl}imidodicarbonimi...) Show SMILES COc1cccc(COc2ccc(NC(=N)NC(N)=N)cc2)c1 Show InChI InChI=1S/C16H19N5O2/c1-22-14-4-2-3-11(9-14)10-23-13-7-5-12(6-8-13)20-16(19)21-15(17)18/h2-9H,10H2,1H3,(H6,17,18,19,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.55E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology					Assay Description The synthesized compounds were evaluated for their ability to inhibit DHFR from pc, tg, ma, and rl using a continuous spectrophotometric assay measur...				J Enzyme Inhib Med Chem 25: 331-9 (2010) Article DOI: 10.3109/14756360903179443 BindingDB Entry DOI: 10.7270/Q2QJ7G6S
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Mycobacterium avium)	BDBM233030 (N-{4-[(3-Methoxybenzyl)oxy]phenyl}imidodicarbonimi...) Show SMILES COc1cccc(COc2ccc(NC(=N)NC(N)=N)cc2)c1 Show InChI InChI=1S/C16H19N5O2/c1-22-14-4-2-3-11(9-14)10-23-13-7-5-12(6-8-13)20-16(19)21-15(17)18/h2-9H,10H2,1H3,(H6,17,18,19,20,21)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.55E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology					Assay Description The synthesized compounds were evaluated for their ability to inhibit DHFR from pc, tg, ma, and rl using a continuous spectrophotometric assay measur...				J Enzyme Inhib Med Chem 25: 331-9 (2010) Article DOI: 10.3109/14756360903179443 BindingDB Entry DOI: 10.7270/Q2QJ7G6S
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM233027 (N-{4-[(2-Chlorobenzyl)oxy]phenyl}imidodicarbonimid...) Show SMILES NC(=N)NC(=N)Nc1ccc(OCc2ccccc2Cl)cc1 Show InChI InChI=1S/C15H16ClN5O/c16-13-4-2-1-3-10(13)9-22-12-7-5-11(6-8-12)20-15(19)21-14(17)18/h1-8H,9H2,(H6,17,18,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.08E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology					Assay Description The synthesized compounds were evaluated for their ability to inhibit DHFR from pc, tg, ma, and rl using a continuous spectrophotometric assay measur...				J Enzyme Inhib Med Chem 25: 331-9 (2010) Article DOI: 10.3109/14756360903179443 BindingDB Entry DOI: 10.7270/Q2QJ7G6S
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM233029 (N-{4-[(4-Bromobenzyl)oxy]phenyl}imidodicarbonimidi...) Show SMILES NC(=N)NC(=N)Nc1ccc(OCc2ccc(Br)cc2)cc1 Show InChI InChI=1S/C15H16BrN5O/c16-11-3-1-10(2-4-11)9-22-13-7-5-12(6-8-13)20-15(19)21-14(17)18/h1-8H,9H2,(H6,17,18,19,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.14E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology					Assay Description The synthesized compounds were evaluated for their ability to inhibit DHFR from pc, tg, ma, and rl using a continuous spectrophotometric assay measur...				J Enzyme Inhib Med Chem 25: 331-9 (2010) Article DOI: 10.3109/14756360903179443 BindingDB Entry DOI: 10.7270/Q2QJ7G6S
					More data for this Ligand-Target Pair

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