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USPatent US10208043

Compile data set for download or QSAR
Found 31 hits of Enzyme Inhibition Constant Data   
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))		BDBM350103
PNG
((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-
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n/an/a 500n/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
Fascin


(Homo sapiens (human))		BDBM350104
PNG
(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)
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n/an/a 500n/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
Fascin


(Homo sapiens (human))		BDBM350111
PNG
(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)
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n/an/a 539n/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
Fascin


(Homo sapiens (human))		BDBM350102
PNG
(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)
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n/an/a 652n/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
Fascin


(Homo sapiens (human))		BDBM350107
PNG
(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)
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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))		BDBM350100
PNG
(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
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n/an/a 734n/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		3D
3D Structure (crystal)
Fascin


(Homo sapiens (human))		BDBM350109
PNG
(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)
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n/an/a 807n/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
Fascin


(Homo sapiens (human))		BDBM350110
PNG
(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)
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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
PNG
(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
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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))		BDBM350108
PNG
(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)
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n/an/a 1.47E+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
Fascin


(Homo sapiens (human))		BDBM350101
PNG
(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)
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n/an/a 2.00E+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
Fascin


(Homo sapiens (human))		BDBM350128
PNG
(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
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n/an/a 2.00E+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
Fascin


(Homo sapiens (human))		BDBM350118
PNG
(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)
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n/an/a 2.00E+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
Fascin


(Homo sapiens (human))		BDBM350112
PNG
((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+
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n/an/a 2.00E+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
Fascin


(Homo sapiens (human))		BDBM350106
PNG
(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)
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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))		BDBM350130
PNG
(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
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n/an/a 2.10E+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
Fascin


(Homo sapiens (human))		BDBM350129
PNG
(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
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n/an/a 2.30E+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
Fascin


(Homo sapiens (human))		BDBM50076451
PNG
(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)
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US Patent
n/an/a 2.62E+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
Fascin


(Homo sapiens (human))		BDBM350114
PNG
(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)
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n/an/a 2.70E+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
Fascin


(Homo sapiens (human))		BDBM350121
PNG
(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)
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n/an/a 3.40E+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
Fascin


(Homo sapiens (human))		BDBM350127
PNG
(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
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n/an/a 3.70E+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
Fascin


(Homo sapiens (human))		BDBM350119
PNG
(N-(benzo[d]thiazol-2- yl)cinnamamide | US10208043,...)
Show SMILES O=C(Nc1nc2ccccc2s1)\C=C\c1ccccc1
Show InChI InChI=1S/C16H12N2OS/c19-15(11-10-12-6-2-1-3-7-12)18-16-17-13-8-4-5-9-14(13)20-16/h1-11H,(H,17,18,19)/b11-10+
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UniChem
US Patent
n/an/a 4.00E+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
Fascin


(Homo sapiens (human))		BDBM350115
PNG
(3-chloro-N-(6- phenoxybenzo[d]thiazol-2- yl)benzen...)
Show SMILES Clc1cccc(c1)S(=O)(=O)Nc1nc2ccc(Oc3ccccc3)cc2s1
Show InChI InChI=1S/C19H13ClN2O3S2/c20-13-5-4-8-16(11-13)27(23,24)22-19-21-17-10-9-15(12-18(17)26-19)25-14-6-2-1-3-7-14/h1-12H,(H,21,22)
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US Patent
n/an/a 4.00E+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
Fascin


(Homo sapiens (human))		BDBM350116
PNG
(N-(6- fluorobenzo[d]thiazol-2- yl)-3-nitro- benzen...)
Show SMILES [O-][N+](=O)c1cccc(c1)S(=O)(=O)Nc1nc2ccc(F)cc2s1
Show InChI InChI=1S/C13H8FN3O4S2/c14-8-4-5-11-12(6-8)22-13(15-11)16-23(20,21)10-3-1-2-9(7-10)17(18)19/h1-7H,(H,15,16)
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US Patent
n/an/a 4.00E+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
Fascin


(Homo sapiens (human))		BDBM350124
PNG
(N-(4-chlorophenyl)-2-(4- oxo-1-(S,S-dioxo- tetrahy...)
Show SMILES Clc1ccc(NC(=O)Cn2cnc3n(ncc3c2=O)C2CCS(=O)(=O)C2)cc1
Show InChI InChI=1S/C17H16ClN5O4S/c18-11-1-3-12(4-2-11)21-15(24)8-22-10-19-16-14(17(22)25)7-20-23(16)13-5-6-28(26,27)9-13/h1-4,7,10,13H,5-6,8-9H2,(H,21,24)
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US Patent
n/an/a 4.30E+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
Fascin


(Homo sapiens (human))		BDBM350122
PNG
(N-(4-fluorobenzyl)-2-(4- oxo-1-(S,S-dioxo- tetrahy...)
Show SMILES Fc1ccc(CNC(=O)Cn2cnc3n(ncc3c2=O)C2CCS(=O)(=O)C2)cc1
Show InChI InChI=1S/C18H18FN5O4S/c19-13-3-1-12(2-4-13)7-20-16(25)9-23-11-21-17-15(18(23)26)8-22-24(17)14-5-6-29(27,28)10-14/h1-4,8,11,14H,5-7,9-10H2,(H,20,25)
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US Patent
n/an/a 4.30E+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
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)
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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
Fascin


(Homo sapiens (human))		BDBM350126
PNG
(5-(2-(2,4-dimethylphenyl)- 2-oxoethyl)-1-(S,S-diox...)
Show SMILES Cc1ccc(C(=O)Cn2cnc3n(ncc3c2=O)C2CCS(=O)(=O)C2)c(C)c1
Show InChI InChI=1S/C19H20N4O4S/c1-12-3-4-15(13(2)7-12)17(24)9-22-11-20-18-16(19(22)25)8-21-23(18)14-5-6-28(26,27)10-14/h3-4,7-8,11,14H,5-6,9-10H2,1-2H3
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UniChem
US Patent
n/an/a 4.70E+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
Fascin


(Homo sapiens (human))		BDBM350105
PNG
(N-benzyl-2,3-diphenyl- 1,2,4-thiadiazolium-5- amin...)
Show SMILES C(NC1=NC(c2ccccc2)=[N](S1)c1ccccc1)c1ccccc1 |c:11,t:2|
Show InChI InChI=1S/C21H18N3S/c1-4-10-17(11-5-1)16-22-21-23-20(18-12-6-2-7-13-18)24(25-21)19-14-8-3-9-15-19/h1-15H,16H2,(H,22,23)
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US Patent
n/an/a 5.00E+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
Fascin


(Homo sapiens (human))		BDBM350125
PNG
(5-(2-(2,3- dihydrobenzo[b][1,4]dioxin- 6-yl)-2-oxo...)
Show SMILES O=C(Cn1cnc2n(ncc2c1=O)C1CCS(=O)(=O)C1)c1ccc2OCCOc2c1
Show InChI InChI=1S/C19H18N4O6S/c24-15(12-1-2-16-17(7-12)29-5-4-28-16)9-22-11-20-18-14(19(22)25)8-21-23(18)13-3-6-30(26,27)10-13/h1-2,7-8,11,13H,3-6,9-10H2
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UniChem
US Patent
n/an/a 1.00E+4n/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
Fascin


(Homo sapiens (human))		BDBM350117
PNG
(2,3-dichloro-N-(6- fluorobenzo[d]thiazol-2- yl)ben...)
Show SMILES Fc1ccc2nc(NS(=O)(=O)c3cccc(Cl)c3Cl)sc2c1
Show InChI InChI=1S/C13H7Cl2FN2O2S2/c14-8-2-1-3-11(12(8)15)22(19,20)18-13-17-9-5-4-7(16)6-10(9)21-13/h1-6H,(H,17,18)
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UniChem
US Patent
n/an/a 1.30E+4n/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
* indicates data uncertainty>20%