Compile Data Set for Download or QSAR

Found 84 hits with Last Name = 'sirawaraporn' and Initial = 'r'   

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
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium falciparum (isolate K1 / Thailand))	BDBM18512 (5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...) Show SMILES CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibition constant against PfDHFR (Plasmodium falciparum dihydrofolate reductase) with single S108T mutation				J Med Chem 46: 2834-45 (2003) Article DOI: 10.1021/jm030781p BindingDB Entry DOI: 10.7270/Q2F18Z3Z
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium falciparum (isolate K1 / Thailand))	BDBM18512 (5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...) Show SMILES CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibition constant against wild-type PfDHFR (Plasmodium falciparum dihydrofolate reductase)				J Med Chem 46: 2834-45 (2003) Article DOI: 10.1021/jm030781p BindingDB Entry DOI: 10.7270/Q2F18Z3Z
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium falciparum (isolate K1 / Thailand))	BDBM18792 (1-(4-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-...) Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(Cl)cc1 |t:3,6| Show InChI InChI=1S/C11H14ClN5/c1-11(2)16-9(13)15-10(14)17(11)8-5-3-7(12)4-6-8/h3-6H,1-2H3,(H4,13,14,15,16)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibition constant against PfDHFR (Plasmodium falciparum dihydrofolate reductase) with single S108T mutation				J Med Chem 46: 2834-45 (2003) Article DOI: 10.1021/jm030781p BindingDB Entry DOI: 10.7270/Q2F18Z3Z
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium falciparum (isolate K1 / Thailand))	BDBM18792 (1-(4-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-...) Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(Cl)cc1 |t:3,6| Show InChI InChI=1S/C11H14ClN5/c1-11(2)16-9(13)15-10(14)17(11)8-5-3-7(12)4-6-8/h3-6H,1-2H3,(H4,13,14,15,16)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibition constant against wild-type PfDHFR (Plasmodium falciparum dihydrofolate reductase)				J Med Chem 46: 2834-45 (2003) Article DOI: 10.1021/jm030781p BindingDB Entry DOI: 10.7270/Q2F18Z3Z
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium falciparum (isolate K1 / Thailand))	BDBM18512 (5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...) Show SMILES CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibition constant against PfDHFR (Plasmodium falciparum dihydrofolate reductase) with double (A16V + S108T) mutations				J Med Chem 46: 2834-45 (2003) Article DOI: 10.1021/jm030781p BindingDB Entry DOI: 10.7270/Q2F18Z3Z
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium falciparum (isolate K1 / Thailand))	BDBM18512 (5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...) Show SMILES CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibition constant against PfDHFR (Plasmodium falciparum dihydrofolate reductase) with single A16V mutation				J Med Chem 46: 2834-45 (2003) Article DOI: 10.1021/jm030781p BindingDB Entry DOI: 10.7270/Q2F18Z3Z
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium falciparum (isolate K1 / Thailand))	BDBM18512 (5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...) Show SMILES CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibition constant against PfDHFR (Plasmodium falciparum dihydrofolate reductase) with triple (C59R + S108N + I164L) mutations				J Med Chem 46: 2834-45 (2003) Article DOI: 10.1021/jm030781p BindingDB Entry DOI: 10.7270/Q2F18Z3Z
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium falciparum (isolate K1 / Thailand))	BDBM18792 (1-(4-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-...) Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(Cl)cc1 |t:3,6| Show InChI InChI=1S/C11H14ClN5/c1-11(2)16-9(13)15-10(14)17(11)8-5-3-7(12)4-6-8/h3-6H,1-2H3,(H4,13,14,15,16)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	570	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibition constant against PfDHFR (Plasmodium falciparum dihydrofolate reductase) with single A16V mutation				J Med Chem 46: 2834-45 (2003) Article DOI: 10.1021/jm030781p BindingDB Entry DOI: 10.7270/Q2F18Z3Z
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium falciparum (isolate K1 / Thailand))	BDBM50130321 ((1E)-1-{4-[(3,5-dichloropyridin-4-yl)oxy]phenyl}et...) Show SMILES CC(=NNC(N)=S)c1ccc(Oc2c(Cl)cncc2Cl)cc1 |w:2.2| Show InChI InChI=1S/C14H12Cl2N4OS/c1-8(19-20-14(17)22)9-2-4-10(5-3-9)21-13-11(15)6-18-7-12(13)16/h2-7H,1H3,(H3,17,20,22)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibition constant against PfDHFR (Plasmodium falciparum dihydrofolate reductase) with triple (C59R + S108N + I164L) mutations				J Med Chem 46: 2834-45 (2003) Article DOI: 10.1021/jm030781p BindingDB Entry DOI: 10.7270/Q2F18Z3Z
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium falciparum (isolate K1 / Thailand))	BDBM50130321 ((1E)-1-{4-[(3,5-dichloropyridin-4-yl)oxy]phenyl}et...) Show SMILES CC(=NNC(N)=S)c1ccc(Oc2c(Cl)cncc2Cl)cc1 |w:2.2| Show InChI InChI=1S/C14H12Cl2N4OS/c1-8(19-20-14(17)22)9-2-4-10(5-3-9)21-13-11(15)6-18-7-12(13)16/h2-7H,1H3,(H3,17,20,22)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibition constant against PfDHFR (Plasmodium falciparum dihydrofolate reductase) with single A16V mutation				J Med Chem 46: 2834-45 (2003) Article DOI: 10.1021/jm030781p BindingDB Entry DOI: 10.7270/Q2F18Z3Z
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium falciparum (isolate K1 / Thailand))	BDBM18792 (1-(4-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-...) Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(Cl)cc1 |t:3,6| Show InChI InChI=1S/C11H14ClN5/c1-11(2)16-9(13)15-10(14)17(11)8-5-3-7(12)4-6-8/h3-6H,1-2H3,(H4,13,14,15,16)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	730	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibition constant against PfDHFR (Plasmodium falciparum dihydrofolate reductase) with quadruple (N51I + C59R + S108N + I164L) mutations				J Med Chem 46: 2834-45 (2003) Article DOI: 10.1021/jm030781p BindingDB Entry DOI: 10.7270/Q2F18Z3Z
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium falciparum (isolate K1 / Thailand))	BDBM50130315 (2,3-dihydrazinoquinoxaline | CHEMBL95567) Show SMILES NNc1nc2ccccc2nc1NN Show InChI InChI=1S/C8H10N6/c9-13-7-8(14-10)12-6-4-2-1-3-5(6)11-7/h1-4H,9-10H2,(H,11,13)(H,12,14)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibition constant against PfDHFR (Plasmodium falciparum dihydrofolate reductase) with single S108T mutation				J Med Chem 46: 2834-45 (2003) Article DOI: 10.1021/jm030781p BindingDB Entry DOI: 10.7270/Q2F18Z3Z
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium falciparum (isolate K1 / Thailand))	BDBM18512 (5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...) Show SMILES CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	860	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibition constant against PfDHFR (Plasmodium falciparum dihydrofolate reductase) with quadruple (N51I + C59R + S108N + I164L) mutations				J Med Chem 46: 2834-45 (2003) Article DOI: 10.1021/jm030781p BindingDB Entry DOI: 10.7270/Q2F18Z3Z
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium falciparum (isolate K1 / Thailand))	BDBM50130321 ((1E)-1-{4-[(3,5-dichloropyridin-4-yl)oxy]phenyl}et...) Show SMILES CC(=NNC(N)=S)c1ccc(Oc2c(Cl)cncc2Cl)cc1 |w:2.2| Show InChI InChI=1S/C14H12Cl2N4OS/c1-8(19-20-14(17)22)9-2-4-10(5-3-9)21-13-11(15)6-18-7-12(13)16/h2-7H,1H3,(H3,17,20,22)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibition constant against wild-type PfDHFR (Plasmodium falciparum dihydrofolate reductase)				J Med Chem 46: 2834-45 (2003) Article DOI: 10.1021/jm030781p BindingDB Entry DOI: 10.7270/Q2F18Z3Z
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium falciparum (isolate K1 / Thailand))	BDBM50130321 ((1E)-1-{4-[(3,5-dichloropyridin-4-yl)oxy]phenyl}et...) Show SMILES CC(=NNC(N)=S)c1ccc(Oc2c(Cl)cncc2Cl)cc1 |w:2.2| Show InChI InChI=1S/C14H12Cl2N4OS/c1-8(19-20-14(17)22)9-2-4-10(5-3-9)21-13-11(15)6-18-7-12(13)16/h2-7H,1H3,(H3,17,20,22)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibition constant against PfDHFR (Plasmodium falciparum dihydrofolate reductase) with single S108T mutation				J Med Chem 46: 2834-45 (2003) Article DOI: 10.1021/jm030781p BindingDB Entry DOI: 10.7270/Q2F18Z3Z
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium falciparum (isolate K1 / Thailand))	BDBM18792 (1-(4-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-...) Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(Cl)cc1 |t:3,6| Show InChI InChI=1S/C11H14ClN5/c1-11(2)16-9(13)15-10(14)17(11)8-5-3-7(12)4-6-8/h3-6H,1-2H3,(H4,13,14,15,16)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.14E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibition constant against PfDHFR (Plasmodium falciparum dihydrofolate reductase) with triple (C59R + S108N + I164L) mutations				J Med Chem 46: 2834-45 (2003) Article DOI: 10.1021/jm030781p BindingDB Entry DOI: 10.7270/Q2F18Z3Z
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium falciparum (isolate K1 / Thailand))	BDBM50130321 ((1E)-1-{4-[(3,5-dichloropyridin-4-yl)oxy]phenyl}et...) Show SMILES CC(=NNC(N)=S)c1ccc(Oc2c(Cl)cncc2Cl)cc1 |w:2.2| Show InChI InChI=1S/C14H12Cl2N4OS/c1-8(19-20-14(17)22)9-2-4-10(5-3-9)21-13-11(15)6-18-7-12(13)16/h2-7H,1H3,(H3,17,20,22)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibition constant against PfDHFR (Plasmodium falciparum dihydrofolate reductase) with quadruple (N51I + C59R + S108N + I164L) mutations				J Med Chem 46: 2834-45 (2003) Article DOI: 10.1021/jm030781p BindingDB Entry DOI: 10.7270/Q2F18Z3Z
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium falciparum (isolate K1 / Thailand))	BDBM50130318 (CHEMBL95615 | N-allyl-2-{[1-(3-chlorobenzyl)-2-oxo...) Show SMILES Clc1cccc(Cn2cccc(C(=O)NNC(=S)NCC=C)c2=O)c1 Show InChI InChI=1S/C17H17ClN4O2S/c1-2-8-19-17(25)21-20-15(23)14-7-4-9-22(16(14)24)11-12-5-3-6-13(18)10-12/h2-7,9-10H,1,8,11H2,(H,20,23)(H2,19,21,25)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase 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
Università di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibition constant against PfDHFR (Plasmodium falciparum dihydrofolate reductase) with single S108T mutation				J Med Chem 46: 2834-45 (2003) Article DOI: 10.1021/jm030781p BindingDB Entry DOI: 10.7270/Q2F18Z3Z
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium falciparum (isolate K1 / Thailand))	BDBM50130326 (2-{[1-(3-chlorobenzyl)-2-oxo-1,2-dihydropyridin-3-...) Show SMILES C\N=C(/S)NNC(=O)c1cccn(Cc2cccc(Cl)c2)c1=O Show InChI InChI=1S/C15H15ClN4O2S/c1-17-15(23)19-18-13(21)12-6-3-7-20(14(12)22)9-10-4-2-5-11(16)8-10/h2-8H,9H2,1H3,(H,18,21)(H2,17,19,23)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibition constant against PfDHFR (Plasmodium falciparum dihydrofolate reductase) with single S108T mutation				J Med Chem 46: 2834-45 (2003) Article DOI: 10.1021/jm030781p BindingDB Entry DOI: 10.7270/Q2F18Z3Z
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium falciparum (isolate K1 / Thailand))	BDBM50130321 ((1E)-1-{4-[(3,5-dichloropyridin-4-yl)oxy]phenyl}et...) Show SMILES CC(=NNC(N)=S)c1ccc(Oc2c(Cl)cncc2Cl)cc1 |w:2.2| Show InChI InChI=1S/C14H12Cl2N4OS/c1-8(19-20-14(17)22)9-2-4-10(5-3-9)21-13-11(15)6-18-7-12(13)16/h2-7H,1H3,(H3,17,20,22)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibition constant against PfDHFR (Plasmodium falciparum dihydrofolate reductase) with double (A16V + S108T) mutations				J Med Chem 46: 2834-45 (2003) Article DOI: 10.1021/jm030781p BindingDB Entry DOI: 10.7270/Q2F18Z3Z
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium falciparum (isolate K1 / Thailand))	BDBM18792 (1-(4-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-...) Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(Cl)cc1 |t:3,6| Show InChI InChI=1S/C11H14ClN5/c1-11(2)16-9(13)15-10(14)17(11)8-5-3-7(12)4-6-8/h3-6H,1-2H3,(H4,13,14,15,16)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	2.13E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibition constant against PfDHFR (Plasmodium falciparum dihydrofolate reductase) with double (A16V + S108T) mutations				J Med Chem 46: 2834-45 (2003) Article DOI: 10.1021/jm030781p BindingDB Entry DOI: 10.7270/Q2F18Z3Z
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium falciparum (isolate K1 / Thailand))	BDBM50130325 (4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}b...) Show SMILES NC(=S)NN=Cc1ccc(Oc2ncc(cc2Cl)C(F)(F)F)cc1 |w:4.3| Show InChI InChI=1S/C14H10ClF3N4OS/c15-11-5-9(14(16,17)18)7-20-12(11)23-10-3-1-8(2-4-10)6-21-22-13(19)24/h1-7H,(H3,19,22,24)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibition constant against PfDHFR (Plasmodium falciparum dihydrofolate reductase) with single S108T mutation				J Med Chem 46: 2834-45 (2003) Article DOI: 10.1021/jm030781p BindingDB Entry DOI: 10.7270/Q2F18Z3Z
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium falciparum (isolate K1 / Thailand))	BDBM50151128 (4-(3,5-Dichloro-phenoxy)-N-hydroxy-3-nitro-benzami...) Show SMILES O[N-]C(=[NH2+])c1ccc(Oc2cc(Cl)cc(Cl)c2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C13H8Cl2N3O4/c14-8-4-9(15)6-10(5-8)22-12-2-1-7(13(16)17-19)3-11(12)18(20)21/h1-6H,(H2-,16,17,19)/q-1/p+1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibition constant against wild-type PfDHFR (Plasmodium falciparum dihydrofolate reductase)				J Med Chem 46: 2834-45 (2003) Article DOI: 10.1021/jm030781p BindingDB Entry DOI: 10.7270/Q2F18Z3Z
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium falciparum (isolate K1 / Thailand))	BDBM50130315 (2,3-dihydrazinoquinoxaline | CHEMBL95567) Show SMILES NNc1nc2ccccc2nc1NN Show InChI InChI=1S/C8H10N6/c9-13-7-8(14-10)12-6-4-2-1-3-5(6)11-7/h1-4H,9-10H2,(H,11,13)(H,12,14)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibition constant against PfDHFR (Plasmodium falciparum dihydrofolate reductase) with triple (C59R + S108N + I164L) mutations				J Med Chem 46: 2834-45 (2003) Article DOI: 10.1021/jm030781p BindingDB Entry DOI: 10.7270/Q2F18Z3Z
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium falciparum (isolate K1 / Thailand))	BDBM50130315 (2,3-dihydrazinoquinoxaline | CHEMBL95567) Show SMILES NNc1nc2ccccc2nc1NN Show InChI InChI=1S/C8H10N6/c9-13-7-8(14-10)12-6-4-2-1-3-5(6)11-7/h1-4H,9-10H2,(H,11,13)(H,12,14)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibition constant against PfDHFR (Plasmodium falciparum dihydrofolate reductase) with single A16V mutation				J Med Chem 46: 2834-45 (2003) Article DOI: 10.1021/jm030781p BindingDB Entry DOI: 10.7270/Q2F18Z3Z
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium falciparum (isolate K1 / Thailand))	BDBM50130315 (2,3-dihydrazinoquinoxaline | CHEMBL95567) Show SMILES NNc1nc2ccccc2nc1NN Show InChI InChI=1S/C8H10N6/c9-13-7-8(14-10)12-6-4-2-1-3-5(6)11-7/h1-4H,9-10H2,(H,11,13)(H,12,14)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibition constant against wild-type PfDHFR (Plasmodium falciparum dihydrofolate reductase)				J Med Chem 46: 2834-45 (2003) Article DOI: 10.1021/jm030781p BindingDB Entry DOI: 10.7270/Q2F18Z3Z
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium falciparum (isolate K1 / Thailand))	BDBM50130317 (CHEMBL95725 | methyl 3-{5-[(1E)-N-(aminocarbonyl)e...) Show SMILES COC(=O)c1sccc1-c1ccc(o1)C(C)=NNC(N)=O |w:16.18| Show InChI InChI=1S/C13H13N3O4S/c1-7(15-16-13(14)18)9-3-4-10(20-9)8-5-6-21-11(8)12(17)19-2/h3-6H,1-2H3,(H3,14,16,18)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibition constant against PfDHFR (Plasmodium falciparum dihydrofolate reductase) with single S108T mutation				J Med Chem 46: 2834-45 (2003) Article DOI: 10.1021/jm030781p BindingDB Entry DOI: 10.7270/Q2F18Z3Z
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium falciparum (isolate K1 / Thailand))	BDBM50151128 (4-(3,5-Dichloro-phenoxy)-N-hydroxy-3-nitro-benzami...) Show SMILES O[N-]C(=[NH2+])c1ccc(Oc2cc(Cl)cc(Cl)c2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C13H8Cl2N3O4/c14-8-4-9(15)6-10(5-8)22-12-2-1-7(13(16)17-19)3-11(12)18(20)21/h1-6H,(H2-,16,17,19)/q-1/p+1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibition constant against PfDHFR (Plasmodium falciparum dihydrofolate reductase) with single S108T mutation				J Med Chem 46: 2834-45 (2003) Article DOI: 10.1021/jm030781p BindingDB Entry DOI: 10.7270/Q2F18Z3Z
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium falciparum (isolate K1 / Thailand))	BDBM50130325 (4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}b...) Show SMILES NC(=S)NN=Cc1ccc(Oc2ncc(cc2Cl)C(F)(F)F)cc1 |w:4.3| Show InChI InChI=1S/C14H10ClF3N4OS/c15-11-5-9(14(16,17)18)7-20-12(11)23-10-3-1-8(2-4-10)6-21-22-13(19)24/h1-7H,(H3,19,22,24)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibition constant against wild-type PfDHFR (Plasmodium falciparum dihydrofolate reductase)				J Med Chem 46: 2834-45 (2003) Article DOI: 10.1021/jm030781p BindingDB Entry DOI: 10.7270/Q2F18Z3Z
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium falciparum (isolate K1 / Thailand))	BDBM50130324 (CHEMBL95783 | N-[4-(benzyloxy)phenyl]hydrazinecarb...) Show SMILES NNC(=S)Nc1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C14H15N3OS/c15-17-14(19)16-12-6-8-13(9-7-12)18-10-11-4-2-1-3-5-11/h1-9H,10,15H2,(H2,16,17,19)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibition constant against PfDHFR (Plasmodium falciparum dihydrofolate reductase) with single S108T mutation				J Med Chem 46: 2834-45 (2003) Article DOI: 10.1021/jm030781p BindingDB Entry DOI: 10.7270/Q2F18Z3Z
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium falciparum (isolate K1 / Thailand))	BDBM50130326 (2-{[1-(3-chlorobenzyl)-2-oxo-1,2-dihydropyridin-3-...) Show SMILES C\N=C(/S)NNC(=O)c1cccn(Cc2cccc(Cl)c2)c1=O Show InChI InChI=1S/C15H15ClN4O2S/c1-17-15(23)19-18-13(21)12-6-3-7-20(14(12)22)9-10-4-2-5-11(16)8-10/h2-8H,9H2,1H3,(H,18,21)(H2,17,19,23)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	5.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibition constant against PfDHFR (Plasmodium falciparum dihydrofolate reductase) with single A16V mutation				J Med Chem 46: 2834-45 (2003) Article DOI: 10.1021/jm030781p BindingDB Entry DOI: 10.7270/Q2F18Z3Z
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium falciparum (isolate K1 / Thailand))	BDBM50151133 (4-(3,5-Dichloro-pyridin-4-yloxy)-N-hydroxy-benzami...) Show SMILES ONC(=N)c1ccc(Oc2c(Cl)cncc2Cl)cc1 Show InChI InChI=1S/C12H9Cl2N3O2/c13-9-5-16-6-10(14)11(9)19-8-3-1-7(2-4-8)12(15)17-18/h1-6,18H,(H2,15,17)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibition constant against PfDHFR (Plasmodium falciparum dihydrofolate reductase) with double (A16V + S108T) mutations				J Med Chem 46: 2834-45 (2003) Article DOI: 10.1021/jm030781p BindingDB Entry DOI: 10.7270/Q2F18Z3Z
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium falciparum (isolate K1 / Thailand))	BDBM50130325 (4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}b...) Show SMILES NC(=S)NN=Cc1ccc(Oc2ncc(cc2Cl)C(F)(F)F)cc1 |w:4.3| Show InChI InChI=1S/C14H10ClF3N4OS/c15-11-5-9(14(16,17)18)7-20-12(11)23-10-3-1-8(2-4-10)6-21-22-13(19)24/h1-7H,(H3,19,22,24)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	6.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibition constant against PfDHFR (Plasmodium falciparum dihydrofolate reductase) with single A16V mutation				J Med Chem 46: 2834-45 (2003) Article DOI: 10.1021/jm030781p BindingDB Entry DOI: 10.7270/Q2F18Z3Z
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium falciparum (isolate K1 / Thailand))	BDBM50130326 (2-{[1-(3-chlorobenzyl)-2-oxo-1,2-dihydropyridin-3-...) Show SMILES C\N=C(/S)NNC(=O)c1cccn(Cc2cccc(Cl)c2)c1=O Show InChI InChI=1S/C15H15ClN4O2S/c1-17-15(23)19-18-13(21)12-6-3-7-20(14(12)22)9-10-4-2-5-11(16)8-10/h2-8H,9H2,1H3,(H,18,21)(H2,17,19,23)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	7.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibition constant against PfDHFR (Plasmodium falciparum dihydrofolate reductase) with triple (C59R + S108N + I164L) mutations				J Med Chem 46: 2834-45 (2003) Article DOI: 10.1021/jm030781p BindingDB Entry DOI: 10.7270/Q2F18Z3Z
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium falciparum (isolate K1 / Thailand))	BDBM50130317 (CHEMBL95725 | methyl 3-{5-[(1E)-N-(aminocarbonyl)e...) Show SMILES COC(=O)c1sccc1-c1ccc(o1)C(C)=NNC(N)=O |w:16.18| Show InChI InChI=1S/C13H13N3O4S/c1-7(15-16-13(14)18)9-3-4-10(20-9)8-5-6-21-11(8)12(17)19-2/h3-6H,1-2H3,(H3,14,16,18)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibition constant against PfDHFR (Plasmodium falciparum dihydrofolate reductase) with triple (C59R + S108N + I164L) mutations				J Med Chem 46: 2834-45 (2003) Article DOI: 10.1021/jm030781p BindingDB Entry DOI: 10.7270/Q2F18Z3Z
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium falciparum (isolate K1 / Thailand))	BDBM50241210 ((E)-1-benzylidenethiosemicarbazide | CHEMBL243185 ...) Show SMILES NC(=S)NN=Cc1ccccc1 |w:5.5| Show InChI InChI=1S/C8H9N3S/c9-8(12)11-10-6-7-4-2-1-3-5-7/h1-6H,(H3,9,11,12)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibition constant against PfDHFR (Plasmodium falciparum dihydrofolate reductase) with single S108T mutation				J Med Chem 46: 2834-45 (2003) Article DOI: 10.1021/jm030781p BindingDB Entry DOI: 10.7270/Q2F18Z3Z
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium falciparum (isolate K1 / Thailand))	BDBM50130325 (4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}b...) Show SMILES NC(=S)NN=Cc1ccc(Oc2ncc(cc2Cl)C(F)(F)F)cc1 |w:4.3| Show InChI InChI=1S/C14H10ClF3N4OS/c15-11-5-9(14(16,17)18)7-20-12(11)23-10-3-1-8(2-4-10)6-21-22-13(19)24/h1-7H,(H3,19,22,24)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	9.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibition constant against PfDHFR (Plasmodium falciparum dihydrofolate reductase) with quadruple (N51I + C59R + S108N + I164L) mutations				J Med Chem 46: 2834-45 (2003) Article DOI: 10.1021/jm030781p BindingDB Entry DOI: 10.7270/Q2F18Z3Z
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium falciparum (isolate K1 / Thailand))	BDBM50130317 (CHEMBL95725 | methyl 3-{5-[(1E)-N-(aminocarbonyl)e...) Show SMILES COC(=O)c1sccc1-c1ccc(o1)C(C)=NNC(N)=O |w:16.18| Show InChI InChI=1S/C13H13N3O4S/c1-7(15-16-13(14)18)9-3-4-10(20-9)8-5-6-21-11(8)12(17)19-2/h3-6H,1-2H3,(H3,14,16,18)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	9.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibition constant against wild-type PfDHFR (Plasmodium falciparum dihydrofolate reductase)				J Med Chem 46: 2834-45 (2003) Article DOI: 10.1021/jm030781p BindingDB Entry DOI: 10.7270/Q2F18Z3Z
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium falciparum (isolate K1 / Thailand))	BDBM50130315 (2,3-dihydrazinoquinoxaline | CHEMBL95567) Show SMILES NNc1nc2ccccc2nc1NN Show InChI InChI=1S/C8H10N6/c9-13-7-8(14-10)12-6-4-2-1-3-5(6)11-7/h1-4H,9-10H2,(H,11,13)(H,12,14)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	9.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibition constant against PfDHFR (Plasmodium falciparum dihydrofolate reductase) with quadruple (N51I + C59R + S108N + I164L) mutations				J Med Chem 46: 2834-45 (2003) Article DOI: 10.1021/jm030781p BindingDB Entry DOI: 10.7270/Q2F18Z3Z
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium falciparum (isolate K1 / Thailand))	BDBM50151128 (4-(3,5-Dichloro-phenoxy)-N-hydroxy-3-nitro-benzami...) Show SMILES O[N-]C(=[NH2+])c1ccc(Oc2cc(Cl)cc(Cl)c2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C13H8Cl2N3O4/c14-8-4-9(15)6-10(5-8)22-12-2-1-7(13(16)17-19)3-11(12)18(20)21/h1-6H,(H2-,16,17,19)/q-1/p+1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibition constant against PfDHFR (Plasmodium falciparum dihydrofolate reductase) with double (A16V + S108T) mutations				J Med Chem 46: 2834-45 (2003) Article DOI: 10.1021/jm030781p BindingDB Entry DOI: 10.7270/Q2F18Z3Z
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium falciparum (isolate K1 / Thailand))	BDBM50130318 (CHEMBL95615 | N-allyl-2-{[1-(3-chlorobenzyl)-2-oxo...) Show SMILES Clc1cccc(Cn2cccc(C(=O)NNC(=S)NCC=C)c2=O)c1 Show InChI InChI=1S/C17H17ClN4O2S/c1-2-8-19-17(25)21-20-15(23)14-7-4-9-22(16(14)24)11-12-5-3-6-13(18)10-12/h2-7,9-10H,1,8,11H2,(H,20,23)(H2,19,21,25)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibition constant against PfDHFR (Plasmodium falciparum dihydrofolate reductase) with triple (C59R + S108N + I164L) mutations				J Med Chem 46: 2834-45 (2003) Article DOI: 10.1021/jm030781p BindingDB Entry DOI: 10.7270/Q2F18Z3Z
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium falciparum (isolate K1 / Thailand))	BDBM50130318 (CHEMBL95615 | N-allyl-2-{[1-(3-chlorobenzyl)-2-oxo...) Show SMILES Clc1cccc(Cn2cccc(C(=O)NNC(=S)NCC=C)c2=O)c1 Show InChI InChI=1S/C17H17ClN4O2S/c1-2-8-19-17(25)21-20-15(23)14-7-4-9-22(16(14)24)11-12-5-3-6-13(18)10-12/h2-7,9-10H,1,8,11H2,(H,20,23)(H2,19,21,25)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.06E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibition constant against PfDHFR (Plasmodium falciparum dihydrofolate reductase) with quadruple (N51I + C59R + S108N + I164L) mutations				J Med Chem 46: 2834-45 (2003) Article DOI: 10.1021/jm030781p BindingDB Entry DOI: 10.7270/Q2F18Z3Z
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium falciparum (isolate K1 / Thailand))	BDBM50130326 (2-{[1-(3-chlorobenzyl)-2-oxo-1,2-dihydropyridin-3-...) Show SMILES C\N=C(/S)NNC(=O)c1cccn(Cc2cccc(Cl)c2)c1=O Show InChI InChI=1S/C15H15ClN4O2S/c1-17-15(23)19-18-13(21)12-6-3-7-20(14(12)22)9-10-4-2-5-11(16)8-10/h2-8H,9H2,1H3,(H,18,21)(H2,17,19,23)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.13E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibition constant against wild-type PfDHFR (Plasmodium falciparum dihydrofolate reductase)				J Med Chem 46: 2834-45 (2003) Article DOI: 10.1021/jm030781p BindingDB Entry DOI: 10.7270/Q2F18Z3Z
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium falciparum (isolate K1 / Thailand))	BDBM50130315 (2,3-dihydrazinoquinoxaline | CHEMBL95567) Show SMILES NNc1nc2ccccc2nc1NN Show InChI InChI=1S/C8H10N6/c9-13-7-8(14-10)12-6-4-2-1-3-5(6)11-7/h1-4H,9-10H2,(H,11,13)(H,12,14)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	1.14E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibition constant against PfDHFR (Plasmodium falciparum dihydrofolate reductase) with double (A16V + S108T) mutations				J Med Chem 46: 2834-45 (2003) Article DOI: 10.1021/jm030781p BindingDB Entry DOI: 10.7270/Q2F18Z3Z
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium falciparum (isolate K1 / Thailand))	BDBM50130322 (4-Chloro-N-[4-(N-hydroxycarbamimidoyl)-benzyl]-ben...) Show SMILES ONC(=N)c1ccc(CNC(=O)c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C15H14ClN3O2/c16-13-7-5-12(6-8-13)15(20)18-9-10-1-3-11(4-2-10)14(17)19-21/h1-8,21H,9H2,(H2,17,19)(H,18,20)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.23E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibition constant against PfDHFR (Plasmodium falciparum dihydrofolate reductase) with single S108T mutation				J Med Chem 46: 2834-45 (2003) Article DOI: 10.1021/jm030781p BindingDB Entry DOI: 10.7270/Q2F18Z3Z
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium falciparum (isolate K1 / Thailand))	BDBM50130325 (4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}b...) Show SMILES NC(=S)NN=Cc1ccc(Oc2ncc(cc2Cl)C(F)(F)F)cc1 |w:4.3| Show InChI InChI=1S/C14H10ClF3N4OS/c15-11-5-9(14(16,17)18)7-20-12(11)23-10-3-1-8(2-4-10)6-21-22-13(19)24/h1-7H,(H3,19,22,24)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	1.25E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibition constant against PfDHFR (Plasmodium falciparum dihydrofolate reductase) with triple (C59R + S108N + I164L) mutations				J Med Chem 46: 2834-45 (2003) Article DOI: 10.1021/jm030781p BindingDB Entry DOI: 10.7270/Q2F18Z3Z
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium falciparum (isolate K1 / Thailand))	BDBM50130318 (CHEMBL95615 | N-allyl-2-{[1-(3-chlorobenzyl)-2-oxo...) Show SMILES Clc1cccc(Cn2cccc(C(=O)NNC(=S)NCC=C)c2=O)c1 Show InChI InChI=1S/C17H17ClN4O2S/c1-2-8-19-17(25)21-20-15(23)14-7-4-9-22(16(14)24)11-12-5-3-6-13(18)10-12/h2-7,9-10H,1,8,11H2,(H,20,23)(H2,19,21,25)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibition constant against PfDHFR (Plasmodium falciparum dihydrofolate reductase) with single A16V mutation				J Med Chem 46: 2834-45 (2003) Article DOI: 10.1021/jm030781p BindingDB Entry DOI: 10.7270/Q2F18Z3Z
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium falciparum (isolate K1 / Thailand))	BDBM50130324 (CHEMBL95783 | N-[4-(benzyloxy)phenyl]hydrazinecarb...) Show SMILES NNC(=S)Nc1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C14H15N3OS/c15-17-14(19)16-12-6-8-13(9-7-12)18-10-11-4-2-1-3-5-11/h1-9H,10,15H2,(H2,16,17,19)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	1.34E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibition constant against PfDHFR (Plasmodium falciparum dihydrofolate reductase) with triple (C59R + S108N + I164L) mutations				J Med Chem 46: 2834-45 (2003) Article DOI: 10.1021/jm030781p BindingDB Entry DOI: 10.7270/Q2F18Z3Z
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium falciparum (isolate K1 / Thailand))	BDBM50130326 (2-{[1-(3-chlorobenzyl)-2-oxo-1,2-dihydropyridin-3-...) Show SMILES C\N=C(/S)NNC(=O)c1cccn(Cc2cccc(Cl)c2)c1=O Show InChI InChI=1S/C15H15ClN4O2S/c1-17-15(23)19-18-13(21)12-6-3-7-20(14(12)22)9-10-4-2-5-11(16)8-10/h2-8H,9H2,1H3,(H,18,21)(H2,17,19,23)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.36E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibition constant against PfDHFR (Plasmodium falciparum dihydrofolate reductase) with double (A16V + S108T) mutations				J Med Chem 46: 2834-45 (2003) Article DOI: 10.1021/jm030781p BindingDB Entry DOI: 10.7270/Q2F18Z3Z
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium falciparum (isolate K1 / Thailand))	BDBM50130324 (CHEMBL95783 | N-[4-(benzyloxy)phenyl]hydrazinecarb...) Show SMILES NNC(=S)Nc1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C14H15N3OS/c15-17-14(19)16-12-6-8-13(9-7-12)18-10-11-4-2-1-3-5-11/h1-9H,10,15H2,(H2,16,17,19)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	1.37E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibition constant against wild-type PfDHFR (Plasmodium falciparum dihydrofolate reductase)				J Med Chem 46: 2834-45 (2003) Article DOI: 10.1021/jm030781p BindingDB Entry DOI: 10.7270/Q2F18Z3Z
					More data for this Ligand-Target Pair

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