Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Fascin' and Ligand = 'BDBM350100'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Fascin (Homo sapiens (human))	BDBM350100 (5-(3,4-dichlorobenzyl)-1- (S,S,-dioxo- tetrahydrot...) Show SMILES Clc1ccc(Cn2cnc3n(ncc3c2=O)C2CCS(=O)(=O)C2)cc1Cl Show InChI InChI=1S/C16H14Cl2N4O3S/c17-13-2-1-10(5-14(13)18)7-21-9-19-15-12(16(21)23)6-20-22(15)11-3-4-26(24,25)8-11/h1-2,5-6,9,11H,3-4,7-8H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	734	n/a	n/a	n/a	n/a	n/a	n/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				3D Structure (crystal)
Fascin (Homo sapiens (human))	BDBM350100 (5-(3,4-dichlorobenzyl)-1- (S,S,-dioxo- tetrahydrot...) Show SMILES Clc1ccc(Cn2cnc3n(ncc3c2=O)C2CCS(=O)(=O)C2)cc1Cl Show InChI InChI=1S/C16H14Cl2N4O3S/c17-13-2-1-10(5-14(13)18)7-21-9-19-15-12(16(21)23)6-20-22(15)11-3-4-26(24,25)8-11/h1-2,5-6,9,11H,3-4,7-8H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	734	n/a	n/a	n/a	n/a	n/a	n/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				3D Structure (crystal)
Fascin (Homo sapiens (human))	BDBM350100 (5-(3,4-dichlorobenzyl)-1- (S,S,-dioxo- tetrahydrot...) Show SMILES Clc1ccc(Cn2cnc3n(ncc3c2=O)C2CCS(=O)(=O)C2)cc1Cl Show InChI InChI=1S/C16H14Cl2N4O3S/c17-13-2-1-10(5-14(13)18)7-21-9-19-15-12(16(21)23)6-20-22(15)11-3-4-26(24,25)8-11/h1-2,5-6,9,11H,3-4,7-8H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	6.76E+4	n/a	n/a	n/a	n/a	n/a	n/a
CRUK Beatson Institute Curated by ChEMBL					Assay Description Inhibition of human (His8)2-tagged fascin (1 to 493 residues) expressed in Escherichia coli BL21(DE3) pLysS assessed as reduction in F-actin bundling...				Bioorg Med Chem Lett 29: 1023-1029 (2019) Article DOI: 10.1016/j.bmcl.2019.01.035 BindingDB Entry DOI: 10.7270/Q2XG9VK6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Fascin (Homo sapiens (human))	BDBM350100 (5-(3,4-dichlorobenzyl)-1- (S,S,-dioxo- tetrahydrot...) Show SMILES Clc1ccc(Cn2cnc3n(ncc3c2=O)C2CCS(=O)(=O)C2)cc1Cl Show InChI InChI=1S/C16H14Cl2N4O3S/c17-13-2-1-10(5-14(13)18)7-21-9-19-15-12(16(21)23)6-20-22(15)11-3-4-26(24,25)8-11/h1-2,5-6,9,11H,3-4,7-8H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	2.93E+4	n/a	n/a	n/a	n/a	n/a
CRUK Beatson Institute Curated by ChEMBL					Assay Description Binding affinity to human fascin (1 to 493 residues) expressed in Escherichia coli BL21(DE3) pLysS by SPR assay				Bioorg Med Chem Lett 29: 1023-1029 (2019) Article DOI: 10.1016/j.bmcl.2019.01.035 BindingDB Entry DOI: 10.7270/Q2XG9VK6
					More data for this Ligand-Target Pair				3D Structure (crystal)