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SMILES: COc1ccc(cc1)-n1c(Cc2cccs2)nnc1SCC(=O)Nc1ccc2OCCOc2c1

InChI Key: InChIKey=ICSHLXOIOCNYGL-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 40344   
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
Coagulation factor XII


(Homo sapiens (Human))		BDBM40344
PNG
(MLS000083367 | N-(2,3-dihydro-1,4-benzodioxin-6-yl...)
Show SMILES COc1ccc(cc1)-n1c(Cc2cccs2)nnc1SCC(=O)Nc1ccc2OCCOc2c1
Show InChI InChI=1S/C24H22N4O4S2/c1-30-18-7-5-17(6-8-18)28-22(14-19-3-2-12-33-19)26-27-24(28)34-15-23(29)25-16-4-9-20-21(13-16)32-11-10-31-20/h2-9,12-13H,10-11,14-15H2,1H3,(H,25,29)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2BC3WZZ
More data for this
Ligand-Target Pair