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SMILES: Cc1ccc2nc3nc(NCC4CCCO4)c(cc3c(=O)n2c1)C(=O)NCC1CCCO1

InChI Key: InChIKey=TYJAQYYIAVZDEF-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 100062   
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
Kallikrein-7


(Homo sapiens (Human))		BDBM100062
PNG
(5-keto-8-methyl-N-(tetrahydrofurfuryl)-2-(tetrahyd...)
Show SMILES Cc1ccc2nc3nc(NCC4CCCO4)c(cc3c(=O)n2c1)C(=O)NCC1CCCO1
Show InChI InChI=1S/C23H27N5O4/c1-14-6-7-19-26-21-18(23(30)28(19)13-14)10-17(22(29)25-12-16-5-3-9-32-16)20(27-21)24-11-15-4-2-8-31-15/h6-7,10,13,15-16H,2-5,8-9,11-12H2,1H3,(H,24,27)(H,25,29)
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MMDB

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Similars
PCBioAssay
n/an/an/an/a 7.79E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q29G5KF0
More data for this
Ligand-Target Pair