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SMILES: NC(=N)NC(=N)SCc1cccc(CSC(=N)NC(N)=N)c1

InChI Key: InChIKey=IFJROGNWESAWKQ-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 18067   
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


(Escherichia coli)		BDBM18067
PNG
(3-({[(3-{[(carbamimidamidomethanimidoyl)sulfanyl]m...)
Show SMILES NC(=N)NC(=N)SCc1cccc(CSC(=N)NC(N)=N)c1
Show InChI InChI=1S/C12H18N8S2/c13-9(14)19-11(17)21-5-7-2-1-3-8(4-7)6-22-12(18)20-10(15)16/h1-4H,5-6H2,(H5,13,14,17,19)(H5,15,16,18,20)
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MMDB

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PC cid
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Similars
Article
PubMed
n/an/a 75n/an/an/an/a7.030



University of Prince Edward Island



Assay Description
The DHFR inhibition observed with each derivative was characterized by determination and comparison of the IC50 values. IC50 determinations were perf...

J Med Chem 49: 6977-86 (2006)


Article DOI: 10.1021/jm060570v
BindingDB Entry DOI: 10.7270/Q2T43RCM
More data for this
Ligand-Target Pair