BDBM50348442 CHEMBL1800948

SMILES: NC1=NC2(CCCCC2)N(OCCCOc2ccc(Cl)cc2)C(N)=N1

InChI Key: InChIKey=GRBRQDFTCGJVHI-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50348442   

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 (Homo sapiens (Human))	BDBM50348442 (CHEMBL1800948) Show SMILES NC1=NC2(CCCCC2)N(OCCCOc2ccc(Cl)cc2)C(N)=N1 |c:25,t:1| Show InChI InChI=1S/C17H24ClN5O2/c18-13-5-7-14(8-6-13)24-11-4-12-25-23-16(20)21-15(19)22-17(23)9-2-1-3-10-17/h5-8H,1-4,9-12H2,(H4,19,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Pharmaceutical Industry Curated by ChEMBL					Assay Description Inhibition of recombinant human DHFR using DHF as substrate measured every 5 sec over 6 mins in presence of NADPH by UV-Visible spectrophotometric me...				Eur J Med Chem 125: 1279-1288 (2017) Article DOI: 10.1016/j.ejmech.2016.11.010 BindingDB Entry DOI: 10.7270/Q2X92DG3
					More data for this Ligand-Target Pair
Dihydrofolate reductase (DHFR) (Bos taurus (Cattle))	BDBM50348442 (CHEMBL1800948) Show SMILES NC1=NC2(CCCCC2)N(OCCCOc2ccc(Cl)cc2)C(N)=N1 |c:25,t:1| Show InChI InChI=1S/C17H24ClN5O2/c18-13-5-7-14(8-6-13)24-11-4-12-25-23-16(20)21-15(19)22-17(23)9-2-1-3-10-17/h5-8H,1-4,9-12H2,(H4,19,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13.8	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of bovine liver DHFR using dihydrofolic acid substrate by UV-visible spectrophotometry				Bioorg Med Chem 18: 737-43 (2010) Article DOI: 10.1016/j.bmc.2009.11.065 BindingDB Entry DOI: 10.7270/Q28C9X7M
					More data for this Ligand-Target Pair