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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase' and Ligand = 'BDBM50508926'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Dihydrofolate reductase


(Bos taurus (Cattle))		BDBM50508926
PNG
(CHEMBL4446041)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)NC(Cc1ccccc1)c1nc2ccccc2c(=O)n1\N=C\c1ccc(Br)cc1
Show InChI InChI=1S/C31H26BrN5O4S/c1-21(38)34-25-15-17-26(18-16-25)42(40,41)36-29(19-22-7-3-2-4-8-22)30-35-28-10-6-5-9-27(28)31(39)37(30)33-20-23-11-13-24(32)14-12-23/h2-18,20,29,36H,19H2,1H3,(H,34,38)/b33-20+
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 128n/an/an/an/an/an/a



Affiliated to Sardar Patel University

Curated by ChEMBL


Assay Description
Inhibition of bovine liver DHFR using FH2 as substrate incubated for 2 mins followed by substrate addition

Bioorg Med Chem 27: 3574-3586 (2019)


Article DOI: 10.1016/j.bmc.2019.06.038
BindingDB Entry DOI: 10.7270/Q26T0R0V
More data for this
Ligand-Target Pair