null

SMILES: NC1=NC(N(C(N)=N1)c1cccc(Cl)c1)c1cccc(OCCCOc2cc(Cl)c(Cl)cc2Cl)c1

InChI Key: InChIKey=JGKAPLMXNSTCCA-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50138955   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium falciparum (isolate K1 / Thailand))	BDBM50138955 (1-(3-Chloro-phenyl)-6-{3-[3-(2,4,5-trichloro-pheno...) Show SMILES NC1=NC(N(C(N)=N1)c1cccc(Cl)c1)c1cccc(OCCCOc2cc(Cl)c(Cl)cc2Cl)c1 |c:6,t:1| Show InChI InChI=1S/C24H21Cl4N5O2/c25-15-5-2-6-16(11-15)33-22(31-23(29)32-24(33)30)14-4-1-7-17(10-14)34-8-3-9-35-21-13-19(27)18(26)12-20(21)28/h1-2,4-7,10-13,22H,3,8-9H2,(H4,29,30,31,32)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Genetic Engineering and Biotechnology Curated by ChEMBL					Assay Description Binding affinity towards mutant dihydrofolate reductase (N51I+C59R+S108N DHFR) of Plasmodium falciparum				J Med Chem 47: 673-80 (2004) Article DOI: 10.1021/jm030165t BindingDB Entry DOI: 10.7270/Q2ST7P8J
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium falciparum (isolate K1 / Thailand))	BDBM50138955 (1-(3-Chloro-phenyl)-6-{3-[3-(2,4,5-trichloro-pheno...) Show SMILES NC1=NC(N(C(N)=N1)c1cccc(Cl)c1)c1cccc(OCCCOc2cc(Cl)c(Cl)cc2Cl)c1 |c:6,t:1| Show InChI InChI=1S/C24H21Cl4N5O2/c25-15-5-2-6-16(11-15)33-22(31-23(29)32-24(33)30)14-4-1-7-17(10-14)34-8-3-9-35-21-13-19(27)18(26)12-20(21)28/h1-2,4-7,10-13,22H,3,8-9H2,(H4,29,30,31,32)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Genetic Engineering and Biotechnology Curated by ChEMBL					Assay Description Binding affinity towards mutant dihydrofolate reductase (C59R+S108N+I164L DHFR) of Plasmodium falciparum				J Med Chem 47: 673-80 (2004) Article DOI: 10.1021/jm030165t BindingDB Entry DOI: 10.7270/Q2ST7P8J
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium falciparum (isolate K1 / Thailand))	BDBM50138955 (1-(3-Chloro-phenyl)-6-{3-[3-(2,4,5-trichloro-pheno...) Show SMILES NC1=NC(N(C(N)=N1)c1cccc(Cl)c1)c1cccc(OCCCOc2cc(Cl)c(Cl)cc2Cl)c1 |c:6,t:1| Show InChI InChI=1S/C24H21Cl4N5O2/c25-15-5-2-6-16(11-15)33-22(31-23(29)32-24(33)30)14-4-1-7-17(10-14)34-8-3-9-35-21-13-19(27)18(26)12-20(21)28/h1-2,4-7,10-13,22H,3,8-9H2,(H4,29,30,31,32)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Genetic Engineering and Biotechnology Curated by ChEMBL					Assay Description Binding affinity towards mutant dihydrofolate reductase (A16V+S108T DHFR) of Plasmodium falciparum.				J Med Chem 47: 673-80 (2004) Article DOI: 10.1021/jm030165t BindingDB Entry DOI: 10.7270/Q2ST7P8J
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium falciparum (isolate K1 / Thailand))	BDBM50138955 (1-(3-Chloro-phenyl)-6-{3-[3-(2,4,5-trichloro-pheno...) Show SMILES NC1=NC(N(C(N)=N1)c1cccc(Cl)c1)c1cccc(OCCCOc2cc(Cl)c(Cl)cc2Cl)c1 |c:6,t:1| Show InChI InChI=1S/C24H21Cl4N5O2/c25-15-5-2-6-16(11-15)33-22(31-23(29)32-24(33)30)14-4-1-7-17(10-14)34-8-3-9-35-21-13-19(27)18(26)12-20(21)28/h1-2,4-7,10-13,22H,3,8-9H2,(H4,29,30,31,32)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Genetic Engineering and Biotechnology Curated by ChEMBL					Assay Description Binding affinity towards wild-type dihydrofolate reductase of Plasmodium falciparum.				J Med Chem 47: 673-80 (2004) Article DOI: 10.1021/jm030165t BindingDB Entry DOI: 10.7270/Q2ST7P8J
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium falciparum (isolate K1 / Thailand))	BDBM50138955 (1-(3-Chloro-phenyl)-6-{3-[3-(2,4,5-trichloro-pheno...) Show SMILES NC1=NC(N(C(N)=N1)c1cccc(Cl)c1)c1cccc(OCCCOc2cc(Cl)c(Cl)cc2Cl)c1 |c:6,t:1| Show InChI InChI=1S/C24H21Cl4N5O2/c25-15-5-2-6-16(11-15)33-22(31-23(29)32-24(33)30)14-4-1-7-17(10-14)34-8-3-9-35-21-13-19(27)18(26)12-20(21)28/h1-2,4-7,10-13,22H,3,8-9H2,(H4,29,30,31,32)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Genetic Engineering and Biotechnology Curated by ChEMBL					Assay Description Binding affinity towards mutant dihydrofolate reductase (N51I+C59R+S108N+I164L DHFR) of Plasmodium falciparum				J Med Chem 47: 673-80 (2004) Article DOI: 10.1021/jm030165t BindingDB Entry DOI: 10.7270/Q2ST7P8J
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium falciparum (isolate K1 / Thailand))	BDBM50138955 (1-(3-Chloro-phenyl)-6-{3-[3-(2,4,5-trichloro-pheno...) Show SMILES NC1=NC(N(C(N)=N1)c1cccc(Cl)c1)c1cccc(OCCCOc2cc(Cl)c(Cl)cc2Cl)c1 |c:6,t:1| Show InChI InChI=1S/C24H21Cl4N5O2/c25-15-5-2-6-16(11-15)33-22(31-23(29)32-24(33)30)14-4-1-7-17(10-14)34-8-3-9-35-21-13-19(27)18(26)12-20(21)28/h1-2,4-7,10-13,22H,3,8-9H2,(H4,29,30,31,32)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Genetic Engineering and Biotechnology Curated by ChEMBL					Assay Description In vitro anti-plasmodial activity against Plasmodium falciparum with mutant N51I+C59R+S108N (W2) dihydrofolate reductase.				J Med Chem 47: 673-80 (2004) Article DOI: 10.1021/jm030165t BindingDB Entry DOI: 10.7270/Q2ST7P8J
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium falciparum (isolate K1 / Thailand))	BDBM50138955 (1-(3-Chloro-phenyl)-6-{3-[3-(2,4,5-trichloro-pheno...) Show SMILES NC1=NC(N(C(N)=N1)c1cccc(Cl)c1)c1cccc(OCCCOc2cc(Cl)c(Cl)cc2Cl)c1 |c:6,t:1| Show InChI InChI=1S/C24H21Cl4N5O2/c25-15-5-2-6-16(11-15)33-22(31-23(29)32-24(33)30)14-4-1-7-17(10-14)34-8-3-9-35-21-13-19(27)18(26)12-20(21)28/h1-2,4-7,10-13,22H,3,8-9H2,(H4,29,30,31,32)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Genetic Engineering and Biotechnology Curated by ChEMBL					Assay Description In vitro anti-plasmodial activity against Plasmodium falciparum with wild type dihydrofolate reductase (TM4/8.2).				J Med Chem 47: 673-80 (2004) Article DOI: 10.1021/jm030165t BindingDB Entry DOI: 10.7270/Q2ST7P8J
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium falciparum (isolate K1 / Thailand))	BDBM50138955 (1-(3-Chloro-phenyl)-6-{3-[3-(2,4,5-trichloro-pheno...) Show SMILES NC1=NC(N(C(N)=N1)c1cccc(Cl)c1)c1cccc(OCCCOc2cc(Cl)c(Cl)cc2Cl)c1 |c:6,t:1| Show InChI InChI=1S/C24H21Cl4N5O2/c25-15-5-2-6-16(11-15)33-22(31-23(29)32-24(33)30)14-4-1-7-17(10-14)34-8-3-9-35-21-13-19(27)18(26)12-20(21)28/h1-2,4-7,10-13,22H,3,8-9H2,(H4,29,30,31,32)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Genetic Engineering and Biotechnology Curated by ChEMBL					Assay Description In vitro anti-plasmodial activity against Plasmodium falciparum with mutant CN51I+C59R+S108N+I164L (V1/S) dihydrofolate reductase.				J Med Chem 47: 673-80 (2004) Article DOI: 10.1021/jm030165t BindingDB Entry DOI: 10.7270/Q2ST7P8J
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium falciparum (isolate K1 / Thailand))	BDBM50138955 (1-(3-Chloro-phenyl)-6-{3-[3-(2,4,5-trichloro-pheno...) Show SMILES NC1=NC(N(C(N)=N1)c1cccc(Cl)c1)c1cccc(OCCCOc2cc(Cl)c(Cl)cc2Cl)c1 |c:6,t:1| Show InChI InChI=1S/C24H21Cl4N5O2/c25-15-5-2-6-16(11-15)33-22(31-23(29)32-24(33)30)14-4-1-7-17(10-14)34-8-3-9-35-21-13-19(27)18(26)12-20(21)28/h1-2,4-7,10-13,22H,3,8-9H2,(H4,29,30,31,32)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Genetic Engineering and Biotechnology Curated by ChEMBL					Assay Description In vitro anti-plasmodial activity against Plasmodium falciparum with mutant A16V+S108T (T9/94RC17) dihydrofolate reductase.				J Med Chem 47: 673-80 (2004) Article DOI: 10.1021/jm030165t BindingDB Entry DOI: 10.7270/Q2ST7P8J
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium falciparum (isolate K1 / Thailand))	BDBM50138955 (1-(3-Chloro-phenyl)-6-{3-[3-(2,4,5-trichloro-pheno...) Show SMILES NC1=NC(N(C(N)=N1)c1cccc(Cl)c1)c1cccc(OCCCOc2cc(Cl)c(Cl)cc2Cl)c1 |c:6,t:1| Show InChI InChI=1S/C24H21Cl4N5O2/c25-15-5-2-6-16(11-15)33-22(31-23(29)32-24(33)30)14-4-1-7-17(10-14)34-8-3-9-35-21-13-19(27)18(26)12-20(21)28/h1-2,4-7,10-13,22H,3,8-9H2,(H4,29,30,31,32)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Genetic Engineering and Biotechnology Curated by ChEMBL					Assay Description In vitro anti-plasmodial activity against Plasmodium falciparum with mutant C59R+S108N+I164L (Csl-2) dihydrofolate reductase.				J Med Chem 47: 673-80 (2004) Article DOI: 10.1021/jm030165t BindingDB Entry DOI: 10.7270/Q2ST7P8J
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium falciparum (isolate K1 / Thailand))	BDBM50138955 (1-(3-Chloro-phenyl)-6-{3-[3-(2,4,5-trichloro-pheno...) Show SMILES NC1=NC(N(C(N)=N1)c1cccc(Cl)c1)c1cccc(OCCCOc2cc(Cl)c(Cl)cc2Cl)c1 |c:6,t:1| Show InChI InChI=1S/C24H21Cl4N5O2/c25-15-5-2-6-16(11-15)33-22(31-23(29)32-24(33)30)14-4-1-7-17(10-14)34-8-3-9-35-21-13-19(27)18(26)12-20(21)28/h1-2,4-7,10-13,22H,3,8-9H2,(H4,29,30,31,32)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Genetic Engineering and Biotechnology Curated by ChEMBL					Assay Description In vitro anti-plasmodial activity against Plasmodium falciparum with mutant C59R+S108N (K1CB1) dihydrofolate reductase.				J Med Chem 47: 673-80 (2004) Article DOI: 10.1021/jm030165t BindingDB Entry DOI: 10.7270/Q2ST7P8J
					More data for this Ligand-Target Pair