Compile Data Set for Download or QSAR

Found 106 hits Enz. Inhib. hit(s) with Target = 'Fascin'   

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))	BDBM50526225 (CHEMBL4452711) Show SMILES Clc1ccc(Cn2cc(C(=O)Nc3ccncc3)c3n(ncc3c2=O)C2CCNCC2)cc1Cl Show InChI InChI=1S/C24H22Cl2N6O2/c25-20-2-1-15(11-21(20)26)13-31-14-19(23(33)30-16-3-7-27-8-4-16)22-18(24(31)34)12-29-32(22)17-5-9-28-10-6-17/h1-4,7-8,11-12,14,17,28H,5-6,9-10,13H2,(H,27,30,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	240	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))	BDBM50526241 (CHEMBL4461540) Show SMILES Clc1ccc(Cn2cc(C(=O)Nc3ccncc3)c3n(ncc3c2=O)C2CCS(=O)(=O)C2)cc1Cl Show InChI InChI=1S/C23H19Cl2N5O4S/c24-19-2-1-14(9-20(19)25)11-29-12-18(22(31)28-15-3-6-26-7-4-15)21-17(23(29)32)10-27-30(21)16-5-8-35(33,34)13-16/h1-4,6-7,9-10,12,16H,5,8,11,13H2,(H,26,28,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	330	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
Fascin (Homo sapiens (human))	BDBM350104 (N-methyl-2,3-diphenyl- 1,2,4-thiadiazolium-5- amin...) Show SMILES CNC1=NC(c2ccccc2)=[N](S1)c1ccccc1 |c:11,t:2| Show InChI InChI=1S/C15H14N3S/c1-16-15-17-14(12-8-4-2-5-9-12)18(19-15)13-10-6-3-7-11-13/h2-11H,1H3,(H,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	500	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
Fascin (Homo sapiens (human))	BDBM350103 ((Z)-N-(2,3-diphenyl-1,2,4- thiadiazol-5(2H)- ylide...) Show SMILES C\N=c1\nc(-c2ccccc2)n(s1)-c1ccccc1 Show InChI InChI=1S/C15H13N3S/c1-16-15-17-14(12-8-4-2-5-9-12)18(19-15)13-10-6-3-7-11-13/h2-11H,1H3/b16-15-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	500	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
Fascin (Homo sapiens (human))	BDBM350104 (N-methyl-2,3-diphenyl- 1,2,4-thiadiazolium-5- amin...) Show SMILES CNC1=NC(c2ccccc2)=[N](S1)c1ccccc1 |c:11,t:2| Show InChI InChI=1S/C15H14N3S/c1-16-15-17-14(12-8-4-2-5-9-12)18(19-15)13-10-6-3-7-11-13/h2-11H,1H3,(H,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	500	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
Fascin (Homo sapiens (human))	BDBM350103 ((Z)-N-(2,3-diphenyl-1,2,4- thiadiazol-5(2H)- ylide...) Show SMILES C\N=c1\nc(-c2ccccc2)n(s1)-c1ccccc1 Show InChI InChI=1S/C15H13N3S/c1-16-15-17-14(12-8-4-2-5-9-12)18(19-15)13-10-6-3-7-11-13/h2-11H,1H3/b16-15-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	500	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
Fascin (Homo sapiens (human))	BDBM50526227 (CHEMBL4574198) Show SMILES Cn1cc(NC(=O)c2cn(Cc3ccc(Cl)c(Cl)c3)c(=O)c3cnc(cc23)N2CCCCC2)cn1 Show InChI InChI=1S/C25H24Cl2N6O2/c1-31-14-17(11-29-31)30-24(34)20-15-33(13-16-5-6-21(26)22(27)9-16)25(35)19-12-28-23(10-18(19)20)32-7-3-2-4-8-32/h5-6,9-12,14-15H,2-4,7-8,13H2,1H3,(H,30,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	510	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
Fascin (Homo sapiens (human))	BDBM350111 (N-(3-(1H-1,2,4-triazol-3- ylthio)-4- hydroxynaphth...) Show SMILES Cc1cc(C)c(cc1C)S(=O)(=O)Nc1cc(Sc2nc[nH]n2)c(O)c2ccccc12 Show InChI InChI=1S/C21H20N4O3S2/c1-12-8-14(3)19(9-13(12)2)30(27,28)25-17-10-18(29-21-22-11-23-24-21)20(26)16-7-5-4-6-15(16)17/h4-11,25-26H,1-3H3,(H,22,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	539	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
Fascin (Homo sapiens (human))	BDBM350111 (N-(3-(1H-1,2,4-triazol-3- ylthio)-4- hydroxynaphth...) Show SMILES Cc1cc(C)c(cc1C)S(=O)(=O)Nc1cc(Sc2nc[nH]n2)c(O)c2ccccc12 Show InChI InChI=1S/C21H20N4O3S2/c1-12-8-14(3)19(9-13(12)2)30(27,28)25-17-10-18(29-21-22-11-23-24-21)20(26)16-7-5-4-6-15(16)17/h4-11,25-26H,1-3H3,(H,22,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	539	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
Fascin (Homo sapiens (human))	BDBM50526226 (CHEMBL4559691) Show SMILES Cn1cc(NC(=O)c2cn(Cc3ccc(Cl)c(Cl)c3)c(=O)c3cnc(cc23)N2CCNCC2)cn1 Show InChI InChI=1S/C24H23Cl2N7O2/c1-31-13-16(10-29-31)30-23(34)19-14-33(12-15-2-3-20(25)21(26)8-15)24(35)18-11-28-22(9-17(18)19)32-6-4-27-5-7-32/h2-3,8-11,13-14,27H,4-7,12H2,1H3,(H,30,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	630	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
Fascin (Homo sapiens (human))	BDBM50526240 (CHEMBL4566108) Show SMILES Cn1cc(NC(=O)c2cn(Cc3ccc(Cl)c(Cl)c3)c(=O)c3cnn(C4CCS(=O)(=O)C4)c23)cn1 Show InChI InChI=1S/C22H20Cl2N6O4S/c1-28-10-14(7-25-28)27-21(31)17-11-29(9-13-2-3-18(23)19(24)6-13)22(32)16-8-26-30(20(16)17)15-4-5-35(33,34)12-15/h2-3,6-8,10-11,15H,4-5,9,12H2,1H3,(H,27,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	630	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
Fascin (Homo sapiens (human))	BDBM350102 (2-chloro-N-(6- chlorobenzo[d]thiazol-2- yl)-5- nit...) Show SMILES [O-][N+](=O)c1ccc(Cl)c(c1)S(=O)(=O)Nc1nc2ccc(Cl)cc2s1 Show InChI InChI=1S/C13H7Cl2N3O4S2/c14-7-1-4-10-11(5-7)23-13(16-10)17-24(21,22)12-6-8(18(19)20)2-3-9(12)15/h1-6H,(H,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	652	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
Fascin (Homo sapiens (human))	BDBM350102 (2-chloro-N-(6- chlorobenzo[d]thiazol-2- yl)-5- nit...) Show SMILES [O-][N+](=O)c1ccc(Cl)c(c1)S(=O)(=O)Nc1nc2ccc(Cl)cc2s1 Show InChI InChI=1S/C13H7Cl2N3O4S2/c14-7-1-4-10-11(5-7)23-13(16-10)17-24(21,22)12-6-8(18(19)20)2-3-9(12)15/h1-6H,(H,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	652	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
Fascin (Homo sapiens (human))	BDBM350107 (N-(3-(1H-1,2,4-triazol-3- ylthio)-4- hydroxynaphth...) Show SMILES Cc1ccc(C)c(c1)S(=O)(=O)Nc1cc(Sc2nc[nH]n2)c(O)c2ccccc12 Show InChI InChI=1S/C20H18N4O3S2/c1-12-7-8-13(2)18(9-12)29(26,27)24-16-10-17(28-20-21-11-22-23-20)19(25)15-6-4-3-5-14(15)16/h3-11,24-25H,1-2H3,(H,21,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	683	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
Fascin (Homo sapiens (human))	BDBM350107 (N-(3-(1H-1,2,4-triazol-3- ylthio)-4- hydroxynaphth...) Show SMILES Cc1ccc(C)c(c1)S(=O)(=O)Nc1cc(Sc2nc[nH]n2)c(O)c2ccccc12 Show InChI InChI=1S/C20H18N4O3S2/c1-12-7-8-13(2)18(9-12)29(26,27)24-16-10-17(28-20-21-11-22-23-20)19(25)15-6-4-3-5-14(15)16/h3-11,24-25H,1-2H3,(H,21,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	683	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
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))	BDBM350109 (N-(3-(1H-1,2,4-triazol-3- ylthio)-4- hydroxynaphth...) Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1cc(Sc2nc[nH]n2)c(O)c2ccccc12 Show InChI InChI=1S/C19H16N4O4S2/c1-27-12-6-8-13(9-7-12)29(25,26)23-16-10-17(28-19-20-11-21-22-19)18(24)15-5-3-2-4-14(15)16/h2-11,23-24H,1H3,(H,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	807	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
Fascin (Homo sapiens (human))	BDBM350109 (N-(3-(1H-1,2,4-triazol-3- ylthio)-4- hydroxynaphth...) Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1cc(Sc2nc[nH]n2)c(O)c2ccccc12 Show InChI InChI=1S/C19H16N4O4S2/c1-27-12-6-8-13(9-7-12)29(25,26)23-16-10-17(28-19-20-11-21-22-19)18(24)15-5-3-2-4-14(15)16/h2-11,23-24H,1H3,(H,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	807	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
Fascin (Homo sapiens (human))	BDBM350110 (N-(3-(1H-1,2,4-triazol-3- ylthio)-4- hydroxynaphth...) Show SMILES CCc1ccc(cc1)S(=O)(=O)Nc1cc(Sc2nc[nH]n2)c(O)c2ccccc12 Show InChI InChI=1S/C20H18N4O3S2/c1-2-13-7-9-14(10-8-13)29(26,27)24-17-11-18(28-20-21-12-22-23-20)19(25)16-6-4-3-5-15(16)17/h3-12,24-25H,2H2,1H3,(H,21,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	890	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
Fascin (Homo sapiens (human))	BDBM350110 (N-(3-(1H-1,2,4-triazol-3- ylthio)-4- hydroxynaphth...) Show SMILES CCc1ccc(cc1)S(=O)(=O)Nc1cc(Sc2nc[nH]n2)c(O)c2ccccc12 Show InChI InChI=1S/C20H18N4O3S2/c1-2-13-7-9-14(10-8-13)29(26,27)24-17-11-18(28-20-21-12-22-23-20)19(25)16-6-4-3-5-15(16)17/h3-12,24-25H,2H2,1H3,(H,21,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	890	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
Fascin (Homo sapiens (human))	BDBM350120 (5-(3-chlorobenzyl)-1-(2- hydroxyethyl)-1H- pyrazol...) Show SMILES OCCn1ncc2c1ncn(Cc1cccc(Cl)c1)c2=O Show InChI InChI=1S/C14H13ClN4O2/c15-11-3-1-2-10(6-11)8-18-9-16-13-12(14(18)21)7-17-19(13)4-5-20/h1-3,6-7,9,20H,4-5,8H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	1.20E+3	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
Fascin (Homo sapiens (human))	BDBM350120 (5-(3-chlorobenzyl)-1-(2- hydroxyethyl)-1H- pyrazol...) Show SMILES OCCn1ncc2c1ncn(Cc1cccc(Cl)c1)c2=O Show InChI InChI=1S/C14H13ClN4O2/c15-11-3-1-2-10(6-11)8-18-9-16-13-12(14(18)21)7-17-19(13)4-5-20/h1-3,6-7,9,20H,4-5,8H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	1.20E+3	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
Fascin (Homo sapiens (human))	BDBM50526224 (CHEMBL4451624) Show SMILES Cn1cc(NC(=O)c2cn(Cc3ccc(Cl)c(Cl)c3)c(=O)c3ccccc23)cn1 Show InChI InChI=1S/C21H16Cl2N4O2/c1-26-11-14(9-24-26)25-20(28)17-12-27(10-13-6-7-18(22)19(23)8-13)21(29)16-5-3-2-4-15(16)17/h2-9,11-12H,10H2,1H3,(H,25,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	1.30E+3	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))	BDBM350108 (N-(3-(1H-1,2,4-triazol-3- ylthio)-4- hydroxynaphth...) Show SMILES CCOc1ccc(cc1)S(=O)(=O)Nc1cc(Sc2nc[nH]n2)c(O)c2ccccc12 Show InChI InChI=1S/C20H18N4O4S2/c1-2-28-13-7-9-14(10-8-13)30(26,27)24-17-11-18(29-20-21-12-22-23-20)19(25)16-6-4-3-5-15(16)17/h3-12,24-25H,2H2,1H3,(H,21,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	1.47E+3	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
Fascin (Homo sapiens (human))	BDBM350108 (N-(3-(1H-1,2,4-triazol-3- ylthio)-4- hydroxynaphth...) Show SMILES CCOc1ccc(cc1)S(=O)(=O)Nc1cc(Sc2nc[nH]n2)c(O)c2ccccc12 Show InChI InChI=1S/C20H18N4O4S2/c1-2-28-13-7-9-14(10-8-13)30(26,27)24-17-11-18(29-20-21-12-22-23-20)19(25)16-6-4-3-5-15(16)17/h3-12,24-25H,2H2,1H3,(H,21,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	1.47E+3	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
Fascin (Homo sapiens (human))	BDBM350101 (N-(1-(4- (trifluoromethyl)benzyl)- 1H-indazol-3-yl...) Show SMILES FC(F)(F)c1ccc(Cn2nc(NC(=O)c3ccco3)c3ccccc23)cc1 Show InChI InChI=1S/C20H14F3N3O2/c21-20(22,23)14-9-7-13(8-10-14)12-26-16-5-2-1-4-15(16)18(25-26)24-19(27)17-6-3-11-28-17/h1-11H,12H2,(H,24,25,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	2.00E+3	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
Fascin (Homo sapiens (human))	BDBM350106 (N-phenyl-2,3-diphenyl- 1,2,4-thiadiazolium-5- amin...) Show SMILES N(C1=NC(c2ccccc2)=[N](S1)c1ccccc1)c1ccccc1 |c:10,t:1| Show InChI InChI=1S/C20H16N3S/c1-4-10-16(11-5-1)19-22-20(21-17-12-6-2-7-13-17)24-23(19)18-14-8-3-9-15-18/h1-15H,(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.00E+3	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
Fascin (Homo sapiens (human))	BDBM350118 (N-(6- chlorobenzo[d]thiazol-2- yl)acetamide | US10...) Show SMILES CC(=O)Nc1nc2ccc(Cl)cc2s1 Show InChI InChI=1S/C9H7ClN2OS/c1-5(13)11-9-12-7-3-2-6(10)4-8(7)14-9/h2-4H,1H3,(H,11,12,13)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	US Patent	n/a	n/a	2.00E+3	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
Fascin (Homo sapiens (human))	BDBM350112 ((Z)-N-(3-(1H-1,2,4-triazol- 3-ylthio)-4-oxonaphtha...) Show SMILES O=C1C(Sc2nc[nH]n2)=CC(=NS(=O)(=O)c2ccccc2)c2ccccc12 |w:11.12,c:9| Show InChI InChI=1S/C18H12N4O3S2/c23-17-14-9-5-4-8-13(14)15(10-16(17)26-18-19-11-20-21-18)22-27(24,25)12-6-2-1-3-7-12/h1-11H,(H,19,20,21)/b22-15+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	2.00E+3	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
Fascin (Homo sapiens (human))	BDBM350101 (N-(1-(4- (trifluoromethyl)benzyl)- 1H-indazol-3-yl...) Show SMILES FC(F)(F)c1ccc(Cn2nc(NC(=O)c3ccco3)c3ccccc23)cc1 Show InChI InChI=1S/C20H14F3N3O2/c21-20(22,23)14-9-7-13(8-10-14)12-26-16-5-2-1-4-15(16)18(25-26)24-19(27)17-6-3-11-28-17/h1-11H,12H2,(H,24,25,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	2.00E+3	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
Fascin (Homo sapiens (human))	BDBM350128 (5-(3,4-dichlorobenzyl)-1- o-tolyl-1H-pyrazolo[3,4-...) Show SMILES Cc1ccccc1-n1ncc2c1ncn(Cc1ccc(Cl)c(Cl)c1)c2=O Show InChI InChI=1S/C19H14Cl2N4O/c1-12-4-2-3-5-17(12)25-18-14(9-23-25)19(26)24(11-22-18)10-13-6-7-15(20)16(21)8-13/h2-9,11H,10H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	2.00E+3	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
Fascin (Homo sapiens (human))	BDBM350112 ((Z)-N-(3-(1H-1,2,4-triazol- 3-ylthio)-4-oxonaphtha...) Show SMILES O=C1C(Sc2nc[nH]n2)=CC(=NS(=O)(=O)c2ccccc2)c2ccccc12 |w:11.12,c:9| Show InChI InChI=1S/C18H12N4O3S2/c23-17-14-9-5-4-8-13(14)15(10-16(17)26-18-19-11-20-21-18)22-27(24,25)12-6-2-1-3-7-12/h1-11H,(H,19,20,21)/b22-15+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	2.00E+3	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
Fascin (Homo sapiens (human))	BDBM350106 (N-phenyl-2,3-diphenyl- 1,2,4-thiadiazolium-5- amin...) Show SMILES N(C1=NC(c2ccccc2)=[N](S1)c1ccccc1)c1ccccc1 |c:10,t:1| Show InChI InChI=1S/C20H16N3S/c1-4-10-16(11-5-1)19-22-20(21-17-12-6-2-7-13-17)24-23(19)18-14-8-3-9-15-18/h1-15H,(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.00E+3	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
Fascin (Homo sapiens (human))	BDBM350128 (5-(3,4-dichlorobenzyl)-1- o-tolyl-1H-pyrazolo[3,4-...) Show SMILES Cc1ccccc1-n1ncc2c1ncn(Cc1ccc(Cl)c(Cl)c1)c2=O Show InChI InChI=1S/C19H14Cl2N4O/c1-12-4-2-3-5-17(12)25-18-14(9-23-25)19(26)24(11-22-18)10-13-6-7-15(20)16(21)8-13/h2-9,11H,10H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	2.00E+3	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
Fascin (Homo sapiens (human))	BDBM350118 (N-(6- chlorobenzo[d]thiazol-2- yl)acetamide | US10...) Show SMILES CC(=O)Nc1nc2ccc(Cl)cc2s1 Show InChI InChI=1S/C9H7ClN2OS/c1-5(13)11-9-12-7-3-2-6(10)4-8(7)14-9/h2-4H,1H3,(H,11,12,13)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	US Patent	n/a	n/a	2.00E+3	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
Fascin (Homo sapiens (human))	BDBM350130 (5-(3,4-dichlorobenzyl)-1- (2,4-dimethylphenyl)-1H-...) Show SMILES Cc1ccc(c(C)c1)-n1ncc2c1ncn(Cc1ccc(Cl)c(Cl)c1)c2=O Show InChI InChI=1S/C20H16Cl2N4O/c1-12-3-6-18(13(2)7-12)26-19-15(9-24-26)20(27)25(11-23-19)10-14-4-5-16(21)17(22)8-14/h3-9,11H,10H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	2.10E+3	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
Fascin (Homo sapiens (human))	BDBM50526230 (CHEMBL4457641) Show SMILES Cn1cc(NC(=O)c2cn(Cc3ccc(F)c(Cl)c3)c(=O)c3ccccc23)cn1 Show InChI InChI=1S/C21H16ClFN4O2/c1-26-11-14(9-24-26)25-20(28)17-12-27(10-13-6-7-19(23)18(22)8-13)21(29)16-5-3-2-4-15(16)17/h2-9,11-12H,10H2,1H3,(H,25,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10E+3	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
Fascin (Homo sapiens (human))	BDBM350130 (5-(3,4-dichlorobenzyl)-1- (2,4-dimethylphenyl)-1H-...) Show SMILES Cc1ccc(c(C)c1)-n1ncc2c1ncn(Cc1ccc(Cl)c(Cl)c1)c2=O Show InChI InChI=1S/C20H16Cl2N4O/c1-12-3-6-18(13(2)7-12)26-19-15(9-24-26)20(27)25(11-23-19)10-14-4-5-16(21)17(22)8-14/h3-9,11H,10H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	2.10E+3	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
Fascin (Homo sapiens (human))	BDBM350129 (5-(3,4-dichlorobenzyl)-1- (2,3-dimethylphenyl)-1H-...) Show SMILES Cc1cccc(c1C)-n1ncc2c1ncn(Cc1ccc(Cl)c(Cl)c1)c2=O Show InChI InChI=1S/C20H16Cl2N4O/c1-12-4-3-5-18(13(12)2)26-19-15(9-24-26)20(27)25(11-23-19)10-14-6-7-16(21)17(22)8-14/h3-9,11H,10H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	2.30E+3	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
Fascin (Homo sapiens (human))	BDBM350129 (5-(3,4-dichlorobenzyl)-1- (2,3-dimethylphenyl)-1H-...) Show SMILES Cc1cccc(c1C)-n1ncc2c1ncn(Cc1ccc(Cl)c(Cl)c1)c2=O Show InChI InChI=1S/C20H16Cl2N4O/c1-12-4-3-5-18(13(12)2)26-19-15(9-24-26)20(27)25(11-23-19)10-14-6-7-16(21)17(22)8-14/h3-9,11H,10H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	2.30E+3	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
Fascin (Homo sapiens (human))	BDBM50076451 (CHEMBL3235887 | US10208043, # 14 | US10941146, # 1...) Show SMILES Oc1c(Sc2nc[nH]n2)cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc12 Show InChI InChI=1S/C18H13BrN4O3S2/c19-11-5-7-12(8-6-11)28(25,26)23-15-9-16(27-18-20-10-21-22-18)17(24)14-4-2-1-3-13(14)15/h1-10,23-24H,(H,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.62E+3	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
Fascin (Homo sapiens (human))	BDBM50076451 (CHEMBL3235887 | US10208043, # 14 | US10941146, # 1...) Show SMILES Oc1c(Sc2nc[nH]n2)cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc12 Show InChI InChI=1S/C18H13BrN4O3S2/c19-11-5-7-12(8-6-11)28(25,26)23-15-9-16(27-18-20-10-21-22-18)17(24)14-4-2-1-3-13(14)15/h1-10,23-24H,(H,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.62E+3	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
Fascin (Homo sapiens (human))	BDBM350114 (N-(3-(1H-1,2,4-triazol-3- ylthio)-4- hydroxynaphth...) Show SMILES Cc1ccc(c(C)c1)S(=O)(=O)Nc1cc(Sc2nc[nH]n2)c(O)c2ccccc12 Show InChI InChI=1S/C20H18N4O3S2/c1-12-7-8-18(13(2)9-12)29(26,27)24-16-10-17(28-20-21-11-22-23-20)19(25)15-6-4-3-5-14(15)16/h3-11,24-25H,1-2H3,(H,21,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	2.70E+3	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
Fascin (Homo sapiens (human))	BDBM350114 (N-(3-(1H-1,2,4-triazol-3- ylthio)-4- hydroxynaphth...) Show SMILES Cc1ccc(c(C)c1)S(=O)(=O)Nc1cc(Sc2nc[nH]n2)c(O)c2ccccc12 Show InChI InChI=1S/C20H18N4O3S2/c1-12-7-8-18(13(2)9-12)29(26,27)24-16-10-17(28-20-21-11-22-23-20)19(25)15-6-4-3-5-14(15)16/h3-11,24-25H,1-2H3,(H,21,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	2.70E+3	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
Fascin (Homo sapiens (human))	BDBM350121 (2-(4-oxo-1-(S,S,-dioxo- tetrahydrothiophen-3-yl)- ...) Show SMILES FC(F)(F)c1cccc(NC(=O)Cn2cnc3n(ncc3c2=O)C2CCS(=O)(=O)C2)c1 Show InChI InChI=1S/C18H16F3N5O4S/c19-18(20,21)11-2-1-3-12(6-11)24-15(27)8-25-10-22-16-14(17(25)28)7-23-26(16)13-4-5-31(29,30)9-13/h1-3,6-7,10,13H,4-5,8-9H2,(H,24,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	3.40E+3	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
Fascin (Homo sapiens (human))	BDBM350121 (2-(4-oxo-1-(S,S,-dioxo- tetrahydrothiophen-3-yl)- ...) Show SMILES FC(F)(F)c1cccc(NC(=O)Cn2cnc3n(ncc3c2=O)C2CCS(=O)(=O)C2)c1 Show InChI InChI=1S/C18H16F3N5O4S/c19-18(20,21)11-2-1-3-12(6-11)24-15(27)8-25-10-22-16-14(17(25)28)7-23-26(16)13-4-5-31(29,30)9-13/h1-3,6-7,10,13H,4-5,8-9H2,(H,24,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	3.40E+3	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
Fascin (Homo sapiens (human))	BDBM350127 (5-(2-(benzo[d][1,3]dioxol- 5-yl)-2-oxoethyl)-1-(S,...) Show SMILES O=C(Cn1cnc2n(ncc2c1=O)C1CCS(=O)(=O)C1)c1ccc2OCOc2c1 Show InChI InChI=1S/C18H16N4O6S/c23-14(11-1-2-15-16(5-11)28-10-27-15)7-21-9-19-17-13(18(21)24)6-20-22(17)12-3-4-29(25,26)8-12/h1-2,5-6,9,12H,3-4,7-8,10H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	3.70E+3	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
Fascin (Homo sapiens (human))	BDBM350127 (5-(2-(benzo[d][1,3]dioxol- 5-yl)-2-oxoethyl)-1-(S,...) Show SMILES O=C(Cn1cnc2n(ncc2c1=O)C1CCS(=O)(=O)C1)c1ccc2OCOc2c1 Show InChI InChI=1S/C18H16N4O6S/c23-14(11-1-2-15-16(5-11)28-10-27-15)7-21-9-19-17-13(18(21)24)6-20-22(17)12-3-4-29(25,26)8-12/h1-2,5-6,9,12H,3-4,7-8,10H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	3.70E+3	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
Fascin (Homo sapiens (human))	BDBM50526235 (CHEMBL4516481) Show SMILES Cn1cc(NC(=O)c2cn(Cc3ccc(Cl)c(Cl)c3)c(=O)c3cnccc23)cn1 Show InChI InChI=1S/C20H15Cl2N5O2/c1-26-10-13(7-24-26)25-19(28)16-11-27(9-12-2-3-17(21)18(22)6-12)20(29)15-8-23-5-4-14(15)16/h2-8,10-11H,9H2,1H3,(H,25,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.80E+3	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

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