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SMILES: Nc1nc2[nH]c(CCNC(=O)c3ccc(cc3)C(=O)NCc3ccncc3)cc2c(=O)[nH]1

InChI Key: InChIKey=ZPSXAGDNGSNYOS-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50514995   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Dihydrofolate reductase


(Homo sapiens (Human))		BDBM50514995
PNG
(CHEMBL4552684)
Show SMILES Nc1nc2[nH]c(CCNC(=O)c3ccc(cc3)C(=O)NCc3ccncc3)cc2c(=O)[nH]1
Show InChI InChI=1S/C22H21N7O3/c23-22-28-18-17(21(32)29-22)11-16(27-18)7-10-25-19(30)14-1-3-15(4-2-14)20(31)26-12-13-5-8-24-9-6-13/h1-6,8-9,11H,7,10,12H2,(H,25,30)(H,26,31)(H4,23,27,28,29,32)
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n/an/a 49n/an/an/an/an/an/a



Hebei Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DHFR using dihydrofolic acid as substrate in presence of NADPH after 15 mins by microplate reader analysis

Eur J Med Chem 178: 329-340 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.013
More data for this
Ligand-Target Pair