BDBM50294213 3-(5-((2,4-diaminopyrimidin-5-yl)methyl)-2-hydroxy-3-methoxyphenyl)-1-(1-(4-(hydroxymethyl)phenyl)phthalazin-2(1H)-yl)prop-2-en-1-one::CHEMBL559830

SMILES: COc1cc(Cc2cnc(N)nc2N)cc(\C=C\C(=O)N2N=Cc3ccccc3C2c2ccc(CO)cc2)c1O

InChI Key: InChIKey=PVLCYETZWWPUKN-ZHACJKMWSA-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 = 50294213   

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))	BDBM50294213 (3-(5-((2,4-diaminopyrimidin-5-yl)methyl)-2-hydroxy...) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(\C=C\C(=O)N2N=Cc3ccccc3C2c2ccc(CO)cc2)c1O |c:22| Show InChI InChI=1S/C30H28N6O4/c1-40-25-14-19(13-23-15-33-30(32)35-29(23)31)12-21(28(25)39)10-11-26(38)36-27(20-8-6-18(17-37)7-9-20)24-5-3-2-4-22(24)16-34-36/h2-12,14-16,27,37,39H,13,17H2,1H3,(H4,31,32,33,35)/b11-10+	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	>2.40E+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