BDBM50294214 3-(5-((2,4-diaminopyrimidin-5-yl)methyl)-2,3-dimethoxyphenyl)-1-(1-(2-((dimethylamino)methyl)phenyl)phthalazin-2(1H)-yl)prop-2-en-1-one::BAL-16763::CHEMBL537959

SMILES: COc1cc(Cc2cnc(N)nc2N)cc(\C=C\C(=O)N2N=Cc3ccccc3C2c2ccccc2CN(C)C)c1OC

InChI Key: InChIKey=XZAWIWOWJUQKJE-BUHFOSPRSA-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 = 50294214   

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))	BDBM50294214 (3-(5-((2,4-diaminopyrimidin-5-yl)methyl)-2,3-dimet...) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(\C=C\C(=O)N2N=Cc3ccccc3C2c2ccccc2CN(C)C)c1OC |c:22| Show InChI InChI=1S/C33H35N7O3/c1-39(2)20-24-10-6-8-12-27(24)30-26-11-7-5-9-23(26)19-37-40(30)29(41)14-13-22-15-21(17-28(42-3)31(22)43-4)16-25-18-36-33(35)38-32(25)34/h5-15,17-19,30H,16,20H2,1-4H3,(H4,34,35,36,38)/b14-13+	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	>4.20E+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