BDBM50110770 5-(3-Chloro-phenyl)-pyrimidine-2,4-diamine::CHEMBL21414

SMILES: Nc1ncc(c(N)n1)-c1cccc(Cl)c1

InChI Key: InChIKey=QUIKQBNBFYGSQZ-UHFFFAOYSA-N

Data: 4 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50110770   

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
Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant KICB1 (Plasmodium falciparum (isolate K1 / Thailand))	BDBM50110770 (5-(3-Chloro-phenyl)-pyrimidine-2,4-diamine | CHEMB...) Show SMILES Nc1ncc(c(N)n1)-c1cccc(Cl)c1 Show InChI InChI=1S/C10H9ClN4/c11-7-3-1-2-6(4-7)8-5-14-10(13)15-9(8)12/h1-5H,(H4,12,13,14,15)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	6.30	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 Inhibition of the wild-type dihydrofolate reductase (DHFR)				J Med Chem 45: 1244-52 (2002) BindingDB Entry DOI: 10.7270/Q2Z89BQ1
					More data for this Ligand-Target Pair
Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant KICB1 (Plasmodium falciparum (isolate K1 / Thailand))	BDBM50110770 (5-(3-Chloro-phenyl)-pyrimidine-2,4-diamine | CHEMB...) Show SMILES Nc1ncc(c(N)n1)-c1cccc(Cl)c1 Show InChI InChI=1S/C10H9ClN4/c11-7-3-1-2-6(4-7)8-5-14-10(13)15-9(8)12/h1-5H,(H4,12,13,14,15)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.30	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 Plasmodium falciparum dihydrofolate reductase				J Med Chem 47: 4258-67 (2004) Checked by Author Article DOI: 10.1021/jm040769c BindingDB Entry DOI: 10.7270/Q2HH6JKZ
					More data for this Ligand-Target Pair
Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant KICB1 (Plasmodium falciparum (isolate K1 / Thailand))	BDBM50110770 (5-(3-Chloro-phenyl)-pyrimidine-2,4-diamine | CHEMB...) Show SMILES Nc1ncc(c(N)n1)-c1cccc(Cl)c1 Show InChI InChI=1S/C10H9ClN4/c11-7-3-1-2-6(4-7)8-5-14-10(13)15-9(8)12/h1-5H,(H4,12,13,14,15)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	26.3	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 Inhibition of the S108N mutant of dihydrofolate reductase (DHFR)				J Med Chem 45: 1244-52 (2002) BindingDB Entry DOI: 10.7270/Q2Z89BQ1
					More data for this Ligand-Target Pair
Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant KICB1 (Plasmodium falciparum (isolate K1 / Thailand))	BDBM50110770 (5-(3-Chloro-phenyl)-pyrimidine-2,4-diamine | CHEMB...) Show SMILES Nc1ncc(c(N)n1)-c1cccc(Cl)c1 Show InChI InChI=1S/C10H9ClN4/c11-7-3-1-2-6(4-7)8-5-14-10(13)15-9(8)12/h1-5H,(H4,12,13,14,15)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	31.6	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 Inhibition of the C59R+S108N mutant of dihydrofolate reductase (DHFR)				J Med Chem 45: 1244-52 (2002) BindingDB Entry DOI: 10.7270/Q2Z89BQ1
					More data for this Ligand-Target Pair
Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant KICB1 (Plasmodium falciparum (isolate K1 / Thailand))	BDBM50110770 (5-(3-Chloro-phenyl)-pyrimidine-2,4-diamine | CHEMB...) Show SMILES Nc1ncc(c(N)n1)-c1cccc(Cl)c1 Show InChI InChI=1S/C10H9ClN4/c11-7-3-1-2-6(4-7)8-5-14-10(13)15-9(8)12/h1-5H,(H4,12,13,14,15)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.80E+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 Antiplasmodial activity (IC50) against Plasmodium falciparum Clone with mutant enzyme C59R+S108N- pfDihydrofolate reductase (K1CB1)				J Med Chem 45: 1244-52 (2002) BindingDB Entry DOI: 10.7270/Q2Z89BQ1
					More data for this Ligand-Target Pair