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SMILES: Nc1nc(N)c2CC(CNc3ccc(Cl)cc3)CCc2n1

InChI Key: InChIKey=MCNPVOLBYMVRLQ-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50033545   

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 (Rattus norvegicus (rat))	BDBM50033545 (6-[(4-Chloro-phenylamino)-methyl]-5,6,7,8-tetrahyd...) Show SMILES Nc1nc(N)c2CC(CNc3ccc(Cl)cc3)CCc2n1 Show InChI InChI=1S/C15H18ClN5/c16-10-2-4-11(5-3-10)19-8-9-1-6-13-12(7-9)14(17)21-15(18)20-13/h2-5,9,19H,1,6-8H2,(H4,17,18,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	128	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory activity against purified DHFR (Dihydrofolate reductase) from rat				J Med Chem 38: 3660-8 (1995) BindingDB Entry DOI: 10.7270/Q27080FN
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50033545 (6-[(4-Chloro-phenylamino)-methyl]-5,6,7,8-tetrahyd...) Show SMILES Nc1nc(N)c2CC(CNc3ccc(Cl)cc3)CCc2n1 Show InChI InChI=1S/C15H18ClN5/c16-10-2-4-11(5-3-10)19-8-9-1-6-13-12(7-9)14(17)21-15(18)20-13/h2-5,9,19H,1,6-8H2,(H4,17,18,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory activity against purified DHFR (Dihydrofolate reductase) from Toxoplasma gondii.				J Med Chem 38: 3660-8 (1995) BindingDB Entry DOI: 10.7270/Q27080FN
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Pneumocystis carinii)	BDBM50033545 (6-[(4-Chloro-phenylamino)-methyl]-5,6,7,8-tetrahyd...) Show SMILES Nc1nc(N)c2CC(CNc3ccc(Cl)cc3)CCc2n1 Show InChI InChI=1S/C15H18ClN5/c16-10-2-4-11(5-3-10)19-8-9-1-6-13-12(7-9)14(17)21-15(18)20-13/h2-5,9,19H,1,6-8H2,(H4,17,18,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	940	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory activity against purified DHFR (Dihydrofolate reductase) from Pneumocystis carinii.				J Med Chem 38: 3660-8 (1995) BindingDB Entry DOI: 10.7270/Q27080FN
					More data for this Ligand-Target Pair