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SMILES: CCOC(=O)C(CNC(=O)N(CCCl)N=O)NC(=O)c1ccc(cc1)N(C)Cc1cnc2nc(N)nc(N)c2n1

InChI Key: InChIKey=KHWUGOHXKYVAOY-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50026401   
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


(Mus musculus (Mouse))		BDBM50026401
PNG
(2--[3-(2-Carboxy-2-{4-[(2,4-diamino-pteridin-6-ylm...)
Show SMILES CCOC(=O)C(CNC(=O)N(CCCl)N=O)NC(=O)c1ccc(cc1)N(C)Cc1cnc2nc(N)nc(N)c2n1
Show InChI InChI=1S/C23H28ClN11O5/c1-3-40-21(37)16(11-28-23(38)35(33-39)9-8-24)30-20(36)13-4-6-15(7-5-13)34(2)12-14-10-27-19-17(29-14)18(25)31-22(26)32-19/h4-7,10,16H,3,8-9,11-12H2,1-2H3,(H,28,38)(H,30,36)(H4,25,26,27,31,32)
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Similars
PubMed
 3.24E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Dihydrofolate reductase in L1210 cell in mice

J Med Chem 28: 1016-25 (1985)


BindingDB Entry DOI: 10.7270/Q2BP01TS
More data for this
Ligand-Target Pair