BDBM50294212 3-(5-((2,4-diaminopyrimidin-5-yl)methyl)-3-methoxy-2-(2-morpholinoethoxy)phenyl)-1-(1-phenylphthalazin-2(1H)-yl)prop-2-en-1-one::CHEMBL540217

SMILES: COc1cc(Cc2cnc(N)nc2N)cc(\C=C\C(=O)N2N=Cc3ccccc3C2c2ccccc2)c1OCCN1CCOCC1

InChI Key: InChIKey=AJSMJPXCIPMAEN-VAWYXSNFSA-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 = 50294212   

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))	BDBM50294212 (3-(5-((2,4-diaminopyrimidin-5-yl)methyl)-3-methoxy...) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(\C=C\C(=O)N2N=Cc3ccccc3C2c2ccccc2)c1OCCN1CCOCC1 |c:22| Show InChI InChI=1S/C35H37N7O4/c1-44-30-21-24(20-28-22-38-35(37)40-34(28)36)19-26(33(30)46-18-15-41-13-16-45-17-14-41)11-12-31(43)42-32(25-7-3-2-4-8-25)29-10-6-5-9-27(29)23-39-42/h2-12,19,21-23,32H,13-18,20H2,1H3,(H4,36,37,38,40)/b12-11+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.10E+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