BDBM50294217 3-(5-((2,4-diaminopyrimidin-5-yl)methyl)-2,3-dimethoxyphenyl)-1-(1-methylphthalazin-2(1H)-yl)propan-1-one::CHEMBL564880

SMILES: COc1cc(Cc2cnc(N)nc2N)cc(CCC(=O)N2N=Cc3ccccc3C2C)c1OC

InChI Key: InChIKey=VBASTGYHLLRXMI-UHFFFAOYSA-N

Data: 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 1 hit for monomerid = 50294217   

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))	BDBM50294217 (3-(5-((2,4-diaminopyrimidin-5-yl)methyl)-2,3-dimet...) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(CCC(=O)N2N=Cc3ccccc3C2C)c1OC |c:22| Show InChI InChI=1S/C25H28N6O3/c1-15-20-7-5-4-6-18(20)14-29-31(15)22(32)9-8-17-10-16(12-21(33-2)23(17)34-3)11-19-13-28-25(27)30-24(19)26/h4-7,10,12-15H,8-9,11H2,1-3H3,(H4,26,27,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Oklahoma State University Curated by ChEMBL					Assay Description Inhibition of human recombinant DHFR				Antimicrob Agents Chemother 51: 4447-52 (2007) Article DOI: 10.1128/AAC.00628-07 BindingDB Entry DOI: 10.7270/Q25M65RK
					More data for this Ligand-Target Pair