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SMILES: CCC(Cc1cnc2cc(N)cc(N)c2n1)c1ccc(cc1)C(=O)NC(CCCNC(=O)c1ccccc1C(O)=O)C(O)=O

InChI Key: InChIKey=ZZRVJQJYUZWUFN-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50111551   
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))		BDBM50111551
PNG
(CHEMBL295859 | N-(4-Carboxy-4-{4-[1-(6,8-diamino-q...)
Show SMILES CCC(Cc1cnc2cc(N)cc(N)c2n1)c1ccc(cc1)C(=O)NC(CCCNC(=O)c1ccccc1C(O)=O)C(O)=O
Show InChI InChI=1S/C32H34N6O6/c1-2-18(14-22-17-36-27-16-21(33)15-25(34)28(27)37-22)19-9-11-20(12-10-19)29(39)38-26(32(43)44)8-5-13-35-30(40)23-6-3-4-7-24(23)31(41)42/h3-4,6-7,9-12,15-18,26H,2,5,8,13-14,33-34H2,1H3,(H,35,40)(H,38,39)(H,41,42)(H,43,44)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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DrugBank
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KEGG
PC cid
PC sid
UniChem

Similars
PubMed
 0.000620n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant Dihydrofolate reductase

J Med Chem 45: 1690-6 (2002)


BindingDB Entry DOI: 10.7270/Q2V987CB
More data for this
Ligand-Target Pair