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SMILES: CCc1nc(N)nc(N)c1C#CCc1ccc(OC)c(c1)-c1ccc(cc1)C(O)=O

InChI Key: InChIKey=CEBLSWPXBKFVQQ-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 476672   
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))		BDBM476672
PNG
(US10870625, Compound 59)
Show SMILES CCc1nc(N)nc(N)c1C#CCc1ccc(OC)c(c1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C23H22N4O3/c1-3-19-17(21(24)27-23(25)26-19)6-4-5-14-7-12-20(30-2)18(13-14)15-8-10-16(11-9-15)22(28)29/h7-13H,3,5H2,1-2H3,(H,28,29)(H4,24,25,26,27)
PDB
MMDB

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PC sid
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US Patent
n/an/a 688n/an/an/an/an/an/a



UNIVERSITY OF CONNECTICUT

US Patent


Assay Description
Enzyme activity and inhibition assays were performed by monitoring the NADPH-dependent reduction of dihydrofolate catalyzed by the DHFR enzyme. The r...

US Patent US10870625 (2020)

More data for this
Ligand-Target Pair