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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Fascin' and Ligand = 'BDBM350123'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Fascin


(Homo sapiens (human))		BDBM350123
PNG
(N-(benzo[d][1,3]dioxol-5- ylmethyl)-2-(4-oxo-1-(S,...)
Show SMILES O=C(Cn1cnc2n(ncc2c1=O)C1CCS(=O)(=O)C1)NCc1ccc2OCOc2c1
Show InChI InChI=1S/C19H19N5O6S/c25-17(20-6-12-1-2-15-16(5-12)30-11-29-15)8-23-10-21-18-14(19(23)26)7-22-24(18)13-3-4-31(27,28)9-13/h1-2,5,7,10,13H,3-4,6,8-9,11H2,(H,20,25)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 4.60E+3n/an/an/an/an/an/a



NOVITA PHARMACEUTICALS, INC.; CORNELL UNIVERSITY

US Patent


Assay Description
A high throughput assay was developed to screen for fascin specific inhibitors. Purified polymerized F-actin with or without fascin were mixed and in...

US Patent US10941146 (2021)


BindingDB Entry DOI: 10.7270/Q2T43X6F
More data for this
Ligand-Target Pair
Fascin


(Homo sapiens (human))		BDBM350123
PNG
(N-(benzo[d][1,3]dioxol-5- ylmethyl)-2-(4-oxo-1-(S,...)
Show SMILES O=C(Cn1cnc2n(ncc2c1=O)C1CCS(=O)(=O)C1)NCc1ccc2OCOc2c1
Show InChI InChI=1S/C19H19N5O6S/c25-17(20-6-12-1-2-15-16(5-12)30-11-29-15)8-23-10-21-18-14(19(23)26)7-22-24(18)13-3-4-31(27,28)9-13/h1-2,5,7,10,13H,3-4,6,8-9,11H2,(H,20,25)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
US Patent
n/an/a 4.60E+3n/an/an/an/an/an/a



Cornell University; Novita Pharmaceuticals, Inc.

US Patent


Assay Description
About 150,000 compounds were screened. These chemical compounds were from the LOPAC 1280 collection, the Prestwick chemical library, the Pharmakon co...

US Patent US10208043 (2019)


BindingDB Entry DOI: 10.7270/Q2VH5QZP
More data for this
Ligand-Target Pair