Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase' and Ligand = 'BDBM178023'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Dihydrofolate reductase (Homo sapiens (Human))	BDBM178023 (4-[2-(2,4-Diamino-5,6,7,8-tetrahydropyrido[3,2-d]p...) Show SMILES Nc1nc(N)c2NC(CCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CCc2n1 Show InChI InChI=1S/C21H26N6O5/c22-18-17-14(26-21(23)27-18)8-7-13(24-17)6-3-11-1-4-12(5-2-11)19(30)25-15(20(31)32)9-10-16(28)29/h1-2,4-5,13,15,24H,3,6-10H2,(H,25,30)(H,28,29)(H,31,32)(H4,22,23,26,27)/t13?,15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	7.5	n/a
Peking University					Assay Description The recombinant human (rh) DHFR was purchased from Sigma-Aldrich (Shanghai, China). All rhDHFR enzymes were assayed spectrophotometrically in a solut...				Chem Biol Drug Des 87: 444-54 (2016) Article DOI: 10.1111/cbdd.12681 BindingDB Entry DOI: 10.7270/Q2862F60
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