BDBM50405060 CHEMBL30837

SMILES: CC(=O)Nc1ccc(cc1)N1C(N)=NC(N)=NC1(C)C

InChI Key: InChIKey=SJPAJKBJSWDUHF-UHFFFAOYSA-N

Data: 3 KI

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 3 hits for monomerid = 50405060   

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 (Gallus gallus (Chicken))	BDBM50405060 (CHEMBL30837) Show SMILES CC(=O)Nc1ccc(cc1)N1C(N)=NC(N)=NC1(C)C |c:13,16| Show InChI InChI=1S/C13H18N6O/c1-8(20)16-9-4-6-10(7-5-9)19-12(15)17-11(14)18-13(19,2)3/h4-7H,1-3H3,(H,16,20)(H4,14,15,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.04E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against isolated chicken liver dihydrofolate reductase (DHFR)				J Med Chem 27: 129-43 (1984) BindingDB Entry DOI: 10.7270/Q2TT4S5M
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50405060 (CHEMBL30837) Show SMILES CC(=O)Nc1ccc(cc1)N1C(N)=NC(N)=NC1(C)C |c:13,16| Show InChI InChI=1S/C13H18N6O/c1-8(20)16-9-4-6-10(7-5-9)19-12(15)17-11(14)18-13(19,2)3/h4-7H,1-3H3,(H,16,20)(H4,14,15,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.89E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against human lymphoblastoid cell (WIL2) dihydrofolate reductase (DHFR)				J Med Chem 27: 144-9 (1984) BindingDB Entry DOI: 10.7270/Q28K7C96
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Lactobacillus casei)	BDBM50405060 (CHEMBL30837) Show SMILES CC(=O)Nc1ccc(cc1)N1C(N)=NC(N)=NC1(C)C |c:13,16| Show InChI InChI=1S/C13H18N6O/c1-8(20)16-9-4-6-10(7-5-9)19-12(15)17-11(14)18-13(19,2)3/h4-7H,1-3H3,(H,16,20)(H4,14,15,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.26E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against Lactobacillus casei dihydrofolate reductase (DHFR)				J Med Chem 27: 129-43 (1984) BindingDB Entry DOI: 10.7270/Q2TT4S5M
					More data for this Ligand-Target Pair