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Compile Data Set for Download or QSAR

Found 156 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase ILK-1' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
Serine/threonine-protein kinase ILK-1


(Homo sapiens (Human))
BDBM123945
PNG
(US8754233, 2-(5-Amino-3-methyl-1H-pyrazol-4-yl)-5-...)
Show SMILES Cc1[nH]nc(N)c1-c1nc2cc(F)c(cc2s1)S(N)(=O)=O
Show InChI InChI=1S/C11H10FN5O2S2/c1-4-9(10(13)17-16-4)11-15-6-2-5(12)8(21(14,18)19)3-7(6)20-11/h2-3H,1H3,(H3,13,16,17)(H2,14,18,19)
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n/an/a 7n/an/an/an/an/an/a



Dermira (Canada), Inc.

US Patent


Assay Description
5 uL of each compound dilution were robotically pipetted to Costar serocluster plates maintaining the same plate layout. All assay mixtures consisted...


US Patent US8754233 (2014)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ILK-1


(Homo sapiens (Human))
BDBM124052
PNG
(US8754233, 5-(3-Amino-propyl)-4-benzothiazol-2-yl-...)
Show SMILES NCCCc1[nH]nc(N)c1-c1nc2ccccc2s1
Show InChI InChI=1S/C13H15N5S/c14-7-3-5-9-11(12(15)18-17-9)13-16-8-4-1-2-6-10(8)19-13/h1-2,4,6H,3,5,7,14H2,(H3,15,17,18)
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n/an/a 10n/an/an/an/an/an/a



Dermira (Canada), Inc.

US Patent


Assay Description
5 uL of each compound dilution were robotically pipetted to Costar serocluster plates maintaining the same plate layout. All assay mixtures consisted...


US Patent US8754233 (2014)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ILK-1


(Homo sapiens (Human))
BDBM123951
PNG
(US8754233, 2-(5-Amino-3-methyl-1H-pyrazol-4-yl)-be...)
Show SMILES Cc1[nH]nc(N)c1-c1nc2ccc(cc2s1)S(N)(=O)=O
Show InChI InChI=1S/C11H11N5O2S2/c1-5-9(10(12)16-15-5)11-14-7-3-2-6(20(13,17)18)4-8(7)19-11/h2-4H,1H3,(H3,12,15,16)(H2,13,17,18)
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Dermira (Canada), Inc.

US Patent


Assay Description
5 uL of each compound dilution were robotically pipetted to Costar serocluster plates maintaining the same plate layout. All assay mixtures consisted...


US Patent US8754233 (2014)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ILK-1


(Homo sapiens (Human))
BDBM124022
PNG
(US8754233, 4-Benzothiazol-2-yl-5-(3-methylamino-pr...)
Show SMILES CNCCCc1[nH]nc(N)c1-c1nc2ccccc2s1
Show InChI InChI=1S/C14H17N5S/c1-16-8-4-6-10-12(13(15)19-18-10)14-17-9-5-2-3-7-11(9)20-14/h2-3,5,7,16H,4,6,8H2,1H3,(H3,15,18,19)
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Dermira (Canada), Inc.

US Patent


Assay Description
5 uL of each compound dilution were robotically pipetted to Costar serocluster plates maintaining the same plate layout. All assay mixtures consisted...


US Patent US8754233 (2014)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ILK-1


(Homo sapiens (Human))
BDBM124067
PNG
(US8754233, N3-(2-Amino-ethyl)-4-benzothiazol-2-yl-...)
Show SMILES NCCNc1[nH]nc(N)c1-c1nc2ccccc2s1
Show InChI InChI=1S/C12H14N6S/c13-5-6-15-11-9(10(14)17-18-11)12-16-7-3-1-2-4-8(7)19-12/h1-4H,5-6,13H2,(H4,14,15,17,18)
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n/an/a 20n/an/an/an/an/an/a



Dermira (Canada), Inc.

US Patent


Assay Description
5 uL of each compound dilution were robotically pipetted to Costar serocluster plates maintaining the same plate layout. All assay mixtures consisted...


US Patent US8754233 (2014)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ILK-1


(Homo sapiens (Human))
BDBM123930
PNG
(US8754233, 2-(3-Amino-1H-pyrazol-4-yl)-5-fluoro-be...)
Show SMILES Nc1[nH]ncc1-c1nc2cc(F)c(cc2s1)S(N)(=O)=O
Show InChI InChI=1S/C10H8FN5O2S2/c11-5-1-6-7(2-8(5)20(13,17)18)19-10(15-6)4-3-14-16-9(4)12/h1-3H,(H3,12,14,16)(H2,13,17,18)
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n/an/a 20n/an/an/an/an/an/a



Dermira (Canada), Inc.

US Patent


Assay Description
5 uL of each compound dilution were robotically pipetted to Costar serocluster plates maintaining the same plate layout. All assay mixtures consisted...


US Patent US8754233 (2014)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ILK-1


(Homo sapiens (Human))
BDBM123933
PNG
(US8754233, 2-(3-Amino-5-methyl-1H-pyrazol-4-yl)-5-...)
Show SMILES CNS(=O)(=O)c1cc2sc(nc2cc1F)-c1c(C)[nH]nc1N
Show InChI InChI=1S/C12H12FN5O2S2/c1-5-10(11(14)18-17-5)12-16-7-3-6(13)9(4-8(7)21-12)22(19,20)15-2/h3-4,15H,1-2H3,(H3,14,17,18)
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n/an/a 40n/an/an/an/an/an/a



Dermira (Canada), Inc.

US Patent


Assay Description
5 uL of each compound dilution were robotically pipetted to Costar serocluster plates maintaining the same plate layout. All assay mixtures consisted...


US Patent US8754233 (2014)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ILK-1


(Homo sapiens (Human))
BDBM124001
PNG
(US8754233, 4-(5-Fluoro-benzothiazol-2-yl)-5-methyl...)
Show SMILES Cc1[nH]nc(N)c1-c1nc2cc(F)ccc2s1
Show InChI InChI=1S/C11H9FN4S/c1-5-9(10(13)16-15-5)11-14-7-4-6(12)2-3-8(7)17-11/h2-4H,1H3,(H3,13,15,16)
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n/an/a 40n/an/an/an/an/an/a



Dermira (Canada), Inc.

US Patent


Assay Description
5 uL of each compound dilution were robotically pipetted to Costar serocluster plates maintaining the same plate layout. All assay mixtures consisted...


US Patent US8754233 (2014)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ILK-1


(Homo sapiens (Human))
BDBM123992
PNG
(US8754233, 4-(5-Fluoro-6-methoxy-benzothiazol-2-yl...)
Show SMILES COc1cc2sc(nc2cc1F)-c1c(N)[nH]nc1-c1ccco1
Show InChI InChI=1S/C15H11FN4O2S/c1-21-10-6-11-8(5-7(10)16)18-15(23-11)12-13(19-20-14(12)17)9-3-2-4-22-9/h2-6H,1H3,(H3,17,19,20)
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n/an/a 40n/an/an/an/an/an/a



Dermira (Canada), Inc.

US Patent


Assay Description
5 uL of each compound dilution were robotically pipetted to Costar serocluster plates maintaining the same plate layout. All assay mixtures consisted...


US Patent US8754233 (2014)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ILK-1


(Homo sapiens (Human))
BDBM123965
PNG
(US8754233, 2-(5-Amino-3-methyl-1H-pyrazol-4-yl)-be...)
Show SMILES Cc1[nH]nc(N)c1-c1nc2ccc(cc2s1)S(=O)(=O)NCc1ccncc1
Show InChI InChI=1S/C17H16N6O2S2/c1-10-15(16(18)23-22-10)17-21-13-3-2-12(8-14(13)26-17)27(24,25)20-9-11-4-6-19-7-5-11/h2-8,20H,9H2,1H3,(H3,18,22,23)
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n/an/a 40n/an/an/an/an/an/a



Dermira (Canada), Inc.

US Patent


Assay Description
5 uL of each compound dilution were robotically pipetted to Costar serocluster plates maintaining the same plate layout. All assay mixtures consisted...


US Patent US8754233 (2014)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ILK-1


(Homo sapiens (Human))
BDBM123943
PNG
(US8754233, 2-(5-Amino-3-methyl-1H-pyrazol-4-yl)-4-...)
Show SMILES Cc1[nH]nc(N)c1-c1nc2c(F)cc(cc2s1)S(N)(=O)=O
Show InChI InChI=1S/C11H10FN5O2S2/c1-4-8(10(13)17-16-4)11-15-9-6(12)2-5(21(14,18)19)3-7(9)20-11/h2-3H,1H3,(H3,13,16,17)(H2,14,18,19)
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n/an/a 40n/an/an/an/an/an/a



Dermira (Canada), Inc.

US Patent


Assay Description
5 uL of each compound dilution were robotically pipetted to Costar serocluster plates maintaining the same plate layout. All assay mixtures consisted...


US Patent US8754233 (2014)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ILK-1


(Homo sapiens (Human))
BDBM123946
PNG
(US8754233, 2-(5-Amino-3-methyl-1H-pyrazol-4-yl)-5-...)
Show SMILES Cc1[nH]nc(N)c1-c1nc2cc(F)c(cc2s1)S(=O)(=O)NCCO
Show InChI InChI=1S/C13H14FN5O3S2/c1-6-11(12(15)19-18-6)13-17-8-4-7(14)10(5-9(8)23-13)24(21,22)16-2-3-20/h4-5,16,20H,2-3H2,1H3,(H3,15,18,19)
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n/an/a 50n/an/an/an/an/an/a



Dermira (Canada), Inc.

US Patent


Assay Description
5 uL of each compound dilution were robotically pipetted to Costar serocluster plates maintaining the same plate layout. All assay mixtures consisted...


US Patent US8754233 (2014)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ILK-1


(Homo sapiens (Human))
BDBM123969
PNG
(US8754233, 2-(5-Amino-3-pyridin-4-yl-1H-pyrazol-4-...)
Show SMILES Nc1[nH]nc(c1-c1nc2ccc(cc2s1)S(N)(=O)=O)-c1ccncc1
Show InChI InChI=1S/C15H12N6O2S2/c16-14-12(13(20-21-14)8-3-5-18-6-4-8)15-19-10-2-1-9(25(17,22)23)7-11(10)24-15/h1-7H,(H3,16,20,21)(H2,17,22,23)
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Dermira (Canada), Inc.

US Patent


Assay Description
5 uL of each compound dilution were robotically pipetted to Costar serocluster plates maintaining the same plate layout. All assay mixtures consisted...


US Patent US8754233 (2014)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ILK-1


(Homo sapiens (Human))
BDBM123999
PNG
(US8754233, 4-(5-Fluoro-6-methyl-benzothiazol-2-yl)...)
Show SMILES Cc1cc2sc(nc2cc1F)-c1cn[nH]c1N
Show InChI InChI=1S/C11H9FN4S/c1-5-2-9-8(3-7(5)12)15-11(17-9)6-4-14-16-10(6)13/h2-4H,1H3,(H3,13,14,16)
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n/an/a 50n/an/an/an/an/an/a



Dermira (Canada), Inc.

US Patent


Assay Description
5 uL of each compound dilution were robotically pipetted to Costar serocluster plates maintaining the same plate layout. All assay mixtures consisted...


US Patent US8754233 (2014)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ILK-1


(Homo sapiens (Human))
BDBM124033
PNG
(US8754233, 4-Benzothiazol-2-yl-5-piperidin-4-yl-2H...)
Show SMILES Nc1n[nH]c(C2CCNCC2)c1-c1nc2ccccc2s1
Show InChI InChI=1S/C15H17N5S/c16-14-12(13(19-20-14)9-5-7-17-8-6-9)15-18-10-3-1-2-4-11(10)21-15/h1-4,9,17H,5-8H2,(H3,16,19,20)
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n/an/a 60n/an/an/an/an/an/a



Dermira (Canada), Inc.

US Patent


Assay Description
5 uL of each compound dilution were robotically pipetted to Costar serocluster plates maintaining the same plate layout. All assay mixtures consisted...


US Patent US8754233 (2014)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ILK-1


(Homo sapiens (Human))
BDBM123942
PNG
(US8754233, 2-(5-Amino-1H-pyrazol-4-yl)-benzothiazo...)
Show SMILES CNS(=O)(=O)c1ccc2nc(sc2c1)-c1cn[nH]c1N
Show InChI InChI=1S/C11H11N5O2S2/c1-13-20(17,18)6-2-3-8-9(4-6)19-11(15-8)7-5-14-16-10(7)12/h2-5,13H,1H3,(H3,12,14,16)
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n/an/a 60n/an/an/an/an/an/a



Dermira (Canada), Inc.

US Patent


Assay Description
5 uL of each compound dilution were robotically pipetted to Costar serocluster plates maintaining the same plate layout. All assay mixtures consisted...


US Patent US8754233 (2014)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ILK-1


(Homo sapiens (Human))
BDBM123932
PNG
(US8754233, 2-(3-Amino-5-methyl-1H-pyrazol-4-yl)-5-...)
Show SMILES COC(=O)c1cc2sc(nc2cc1F)-c1c(C)[nH]nc1N
Show InChI InChI=1S/C13H11FN4O2S/c1-5-10(11(15)18-17-5)12-16-8-4-7(14)6(13(19)20-2)3-9(8)21-12/h3-4H,1-2H3,(H3,15,17,18)
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Dermira (Canada), Inc.

US Patent


Assay Description
5 uL of each compound dilution were robotically pipetted to Costar serocluster plates maintaining the same plate layout. All assay mixtures consisted...


US Patent US8754233 (2014)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ILK-1


(Homo sapiens (Human))
BDBM123994
PNG
(US8754233, 4-(5-Fluoro-6-methoxy-benzothiazol-2-yl...)
Show SMILES COc1cc2sc(nc2cc1F)-c1c(C)[nH]nc1N
Show InChI InChI=1S/C12H11FN4OS/c1-5-10(11(14)17-16-5)12-15-7-3-6(13)8(18-2)4-9(7)19-12/h3-4H,1-2H3,(H3,14,16,17)
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Dermira (Canada), Inc.

US Patent


Assay Description
5 uL of each compound dilution were robotically pipetted to Costar serocluster plates maintaining the same plate layout. All assay mixtures consisted...


US Patent US8754233 (2014)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ILK-1


(Homo sapiens (Human))
BDBM123996
PNG
(US8754233, 4-(5-Fluoro-6-methoxy-benzothiazol-2-yl...)
Show SMILES COc1cc2sc(nc2cc1F)-c1c(N)n[nH]c1N1CCNCC1
Show InChI InChI=1S/C15H17FN6OS/c1-23-10-7-11-9(6-8(10)16)19-15(24-11)12-13(17)20-21-14(12)22-4-2-18-3-5-22/h6-7,18H,2-5H2,1H3,(H3,17,20,21)
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n/an/a 70n/an/an/an/an/an/a



Dermira (Canada), Inc.

US Patent


Assay Description
5 uL of each compound dilution were robotically pipetted to Costar serocluster plates maintaining the same plate layout. All assay mixtures consisted...


US Patent US8754233 (2014)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ILK-1


(Homo sapiens (Human))
BDBM123936
PNG
(US8754233, 2-(3-Amino-5-methyl-1H-pyrazol-4-yl)-be...)
Show SMILES CNS(=O)(=O)c1ccc2nc(sc2c1)-c1c(C)[nH]nc1N
Show InChI InChI=1S/C12H13N5O2S2/c1-6-10(11(13)17-16-6)12-15-8-4-3-7(5-9(8)20-12)21(18,19)14-2/h3-5,14H,1-2H3,(H3,13,16,17)
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n/an/a 70n/an/an/an/an/an/a



Dermira (Canada), Inc.

US Patent


Assay Description
5 uL of each compound dilution were robotically pipetted to Costar serocluster plates maintaining the same plate layout. All assay mixtures consisted...


US Patent US8754233 (2014)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ILK-1


(Homo sapiens (Human))
BDBM123931
PNG
(US8754233, 2-(3-Amino-5-methyl-1H-pyrazol-4-yl)-4,...)
Show SMILES Cc1[nH]nc(N)c1-c1nc2c(F)c(F)c(F)c(c2s1)S(N)(=O)=O
Show InChI InChI=1S/C11H8F3N5O2S2/c1-2-3(10(15)19-18-2)11-17-7-5(13)4(12)6(14)9(8(7)22-11)23(16,20)21/h1H3,(H3,15,18,19)(H2,16,20,21)
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Dermira (Canada), Inc.

US Patent


Assay Description
5 uL of each compound dilution were robotically pipetted to Costar serocluster plates maintaining the same plate layout. All assay mixtures consisted...


US Patent US8754233 (2014)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ILK-1


(Homo sapiens (Human))
BDBM123962
PNG
(US8754233, 2-(5-Amino-3-methyl-1H-pyrazol-4-yl)-be...)
Show SMILES Cc1[nH]nc(N)c1-c1nc2ccc(cc2s1)S(=O)(=O)NCC(F)(F)F
Show InChI InChI=1S/C13H12F3N5O2S2/c1-6-10(11(17)21-20-6)12-19-8-3-2-7(4-9(8)24-12)25(22,23)18-5-13(14,15)16/h2-4,18H,5H2,1H3,(H3,17,20,21)
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n/an/a 90n/an/an/an/an/an/a



Dermira (Canada), Inc.

US Patent


Assay Description
5 uL of each compound dilution were robotically pipetted to Costar serocluster plates maintaining the same plate layout. All assay mixtures consisted...


US Patent US8754233 (2014)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ILK-1


(Homo sapiens (Human))
BDBM124024
PNG
(US8754233, 4-Benzothiazol-2-yl-5-(4-methylamino-bu...)
Show SMILES CNCCCCc1[nH]nc(N)c1-c1nc2ccccc2s1
Show InChI InChI=1S/C15H19N5S/c1-17-9-5-4-7-11-13(14(16)20-19-11)15-18-10-6-2-3-8-12(10)21-15/h2-3,6,8,17H,4-5,7,9H2,1H3,(H3,16,19,20)
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n/an/a 100n/an/an/an/an/an/a



Dermira (Canada), Inc.

US Patent


Assay Description
5 uL of each compound dilution were robotically pipetted to Costar serocluster plates maintaining the same plate layout. All assay mixtures consisted...


US Patent US8754233 (2014)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ILK-1


(Homo sapiens (Human))
BDBM123993
PNG
(US8754233, 4-(5-Fluoro-6-methoxy-benzothiazol-2-yl...)
Show SMILES COc1cc2sc(nc2cc1F)-c1c(N)[nH]nc1-c1ccno1
Show InChI InChI=1S/C14H10FN5O2S/c1-21-9-5-10-7(4-6(9)15)18-14(23-10)11-12(19-20-13(11)16)8-2-3-17-22-8/h2-5H,1H3,(H3,16,19,20)
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n/an/a 100n/an/an/an/an/an/a



Dermira (Canada), Inc.

US Patent


Assay Description
5 uL of each compound dilution were robotically pipetted to Costar serocluster plates maintaining the same plate layout. All assay mixtures consisted...


US Patent US8754233 (2014)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ILK-1


(Homo sapiens (Human))
BDBM123972
PNG
(US8754233, 2-{[2-(5-Amino-3-methyl-1H-pyrazol-4-yl...)
Show SMILES Cc1[nH]nc(N)c1-c1nc2ccc(CNCCO)cc2s1
Show InChI InChI=1S/C14H17N5OS/c1-8-12(13(15)19-18-8)14-17-10-3-2-9(6-11(10)21-14)7-16-4-5-20/h2-3,6,16,20H,4-5,7H2,1H3,(H3,15,18,19)
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n/an/a 100n/an/an/an/an/an/a



Dermira (Canada), Inc.

US Patent


Assay Description
5 uL of each compound dilution were robotically pipetted to Costar serocluster plates maintaining the same plate layout. All assay mixtures consisted...


US Patent US8754233 (2014)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ILK-1


(Homo sapiens (Human))
BDBM123925
PNG
(US8754233, [2-(3-Amino-5-methyl-1H-pyrazol-4-yl)-5...)
Show SMILES Cc1[nH]nc(N)c1-c1nc2cc(F)c(CO)cc2s1
Show InChI InChI=1S/C12H11FN4OS/c1-5-10(11(14)17-16-5)12-15-8-3-7(13)6(4-18)2-9(8)19-12/h2-3,18H,4H2,1H3,(H3,14,16,17)
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n/an/a 100n/an/an/an/an/an/a



Dermira (Canada), Inc.

US Patent


Assay Description
5 uL of each compound dilution were robotically pipetted to Costar serocluster plates maintaining the same plate layout. All assay mixtures consisted...


US Patent US8754233 (2014)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ILK-1


(Homo sapiens (Human))
BDBM124035
PNG
(US8754233, 4-Benzothiazol-2-yl-5-pyridin-4-yl-2H-p...)
Show SMILES Nc1[nH]nc(c1-c1nc2ccccc2s1)-c1ccncc1
Show InChI InChI=1S/C15H11N5S/c16-14-12(13(19-20-14)9-5-7-17-8-6-9)15-18-10-3-1-2-4-11(10)21-15/h1-8H,(H3,16,19,20)
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n/an/a 100n/an/an/an/an/an/a



Dermira (Canada), Inc.

US Patent


Assay Description
5 uL of each compound dilution were robotically pipetted to Costar serocluster plates maintaining the same plate layout. All assay mixtures consisted...


US Patent US8754233 (2014)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ILK-1


(Homo sapiens (Human))
BDBM124053
PNG
(US8754233, 5-(4-Amino-phenyl)-4-benzothiazol-2-yl-...)
Show SMILES Nc1[nH]nc(c1-c1nc2ccccc2s1)-c1ccc(N)cc1
Show InChI InChI=1S/C16H13N5S/c17-10-7-5-9(6-8-10)14-13(15(18)21-20-14)16-19-11-3-1-2-4-12(11)22-16/h1-8H,17H2,(H3,18,20,21)
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n/an/a 100n/an/an/an/an/an/a



Dermira (Canada), Inc.

US Patent


Assay Description
5 uL of each compound dilution were robotically pipetted to Costar serocluster plates maintaining the same plate layout. All assay mixtures consisted...


US Patent US8754233 (2014)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ILK-1


(Homo sapiens (Human))
BDBM124028
PNG
(US8754233, 4-Benzothiazol-2-yl-5-furan-2-yl-2H-pyr...)
Show SMILES Nc1[nH]nc(-c2ccco2)c1-c1nc2ccccc2s1
Show InChI InChI=1S/C14H10N4OS/c15-13-11(12(17-18-13)9-5-3-7-19-9)14-16-8-4-1-2-6-10(8)20-14/h1-7H,(H3,15,17,18)
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n/an/a 100n/an/an/an/an/an/a



Dermira (Canada), Inc.

US Patent


Assay Description
5 uL of each compound dilution were robotically pipetted to Costar serocluster plates maintaining the same plate layout. All assay mixtures consisted...


US Patent US8754233 (2014)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ILK-1


(Homo sapiens (Human))
BDBM123947
PNG
(US8754233, 2-(5-Amino-3-methyl-1H-pyrazol-4-yl)-5-...)
Show SMILES Cc1[nH]nc(N)c1-c1nc2cc(F)c(cc2s1)S(=O)(=O)NCc1ccncc1
Show InChI InChI=1S/C17H15FN6O2S2/c1-9-15(16(19)24-23-9)17-22-12-6-11(18)14(7-13(12)27-17)28(25,26)21-8-10-2-4-20-5-3-10/h2-7,21H,8H2,1H3,(H3,19,23,24)
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n/an/a 130n/an/an/an/an/an/a



Dermira (Canada), Inc.

US Patent


Assay Description
5 uL of each compound dilution were robotically pipetted to Costar serocluster plates maintaining the same plate layout. All assay mixtures consisted...


US Patent US8754233 (2014)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ILK-1


(Homo sapiens (Human))
BDBM124041
PNG
(US8754233, 4-Benzothiazol-2-yl-N3-(2-ethylamino-et...)
Show SMILES CCNCCNc1[nH]nc(N)c1-c1nc2ccccc2s1
Show InChI InChI=1S/C14H18N6S/c1-2-16-7-8-17-13-11(12(15)19-20-13)14-18-9-5-3-4-6-10(9)21-14/h3-6,16H,2,7-8H2,1H3,(H4,15,17,19,20)
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n/an/a 150n/an/an/an/an/an/a



Dermira (Canada), Inc.

US Patent


Assay Description
5 uL of each compound dilution were robotically pipetted to Costar serocluster plates maintaining the same plate layout. All assay mixtures consisted...


US Patent US8754233 (2014)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ILK-1


(Homo sapiens (Human))
BDBM123944
PNG
(US8754233, 2-(5-Amino-3-methyl-1H-pyrazol-4-yl)-5-...)
Show SMILES Cc1[nH]nc(N)c1-c1nc2c(c(F)ccc2s1)S(=O)(=O)NCCO
Show InChI InChI=1S/C13H14FN5O3S2/c1-6-9(12(15)19-18-6)13-17-10-8(23-13)3-2-7(14)11(10)24(21,22)16-4-5-20/h2-3,16,20H,4-5H2,1H3,(H3,15,18,19)
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n/an/a 150n/an/an/an/an/an/a



Dermira (Canada), Inc.

US Patent


Assay Description
5 uL of each compound dilution were robotically pipetted to Costar serocluster plates maintaining the same plate layout. All assay mixtures consisted...


US Patent US8754233 (2014)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ILK-1


(Homo sapiens (Human))
BDBM124032
PNG
(US8754233, 4-Benzothiazol-2-yl-5-piperazin-1-yl-2H...)
Show SMILES Nc1n[nH]c(N2CCNCC2)c1-c1nc2ccccc2s1
Show InChI InChI=1S/C14H16N6S/c15-12-11(13(19-18-12)20-7-5-16-6-8-20)14-17-9-3-1-2-4-10(9)21-14/h1-4,16H,5-8H2,(H3,15,18,19)
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n/an/a 190n/an/an/an/an/an/a



Dermira (Canada), Inc.

US Patent


Assay Description
5 uL of each compound dilution were robotically pipetted to Costar serocluster plates maintaining the same plate layout. All assay mixtures consisted...


US Patent US8754233 (2014)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ILK-1


(Homo sapiens (Human))
BDBM123948
PNG
(US8754233, 2-(5-Amino-3-methyl-1H-pyrazol-4-yl)-be...)
Show SMILES Cc1[nH]nc(N)c1-c1nc2cc(O)ccc2s1
Show InChI InChI=1S/C11H10N4OS/c1-5-9(10(12)15-14-5)11-13-7-4-6(16)2-3-8(7)17-11/h2-4,16H,1H3,(H3,12,14,15)
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n/an/a 200n/an/an/an/an/an/a



Dermira (Canada), Inc.

US Patent


Assay Description
5 uL of each compound dilution were robotically pipetted to Costar serocluster plates maintaining the same plate layout. All assay mixtures consisted...


US Patent US8754233 (2014)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ILK-1


(Homo sapiens (Human))
BDBM123952
PNG
(US8754233, 2-(5-Amino-3-methyl-1H-pyrazol-4-yl)-be...)
Show SMILES Cc1[nH]nc(N)c1-c1nc2ccc(cc2s1)S(=O)(=O)NCCO
Show InChI InChI=1S/C13H15N5O3S2/c1-7-11(12(14)18-17-7)13-16-9-3-2-8(6-10(9)22-13)23(20,21)15-4-5-19/h2-3,6,15,19H,4-5H2,1H3,(H3,14,17,18)
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n/an/a 200n/an/an/an/an/an/a



Dermira (Canada), Inc.

US Patent


Assay Description
5 uL of each compound dilution were robotically pipetted to Costar serocluster plates maintaining the same plate layout. All assay mixtures consisted...


US Patent US8754233 (2014)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ILK-1


(Homo sapiens (Human))
BDBM123960
PNG
(US8754233, 2-(5-Amino-3-methyl-1H-pyrazol-4-yl)-be...)
Show SMILES Cc1[nH]nc(N)c1-c1nc2ccc(cc2s1)S(=O)(=O)NCCc1ccc(N)cc1
Show InChI InChI=1S/C19H20N6O2S2/c1-11-17(18(21)25-24-11)19-23-15-7-6-14(10-16(15)28-19)29(26,27)22-9-8-12-2-4-13(20)5-3-12/h2-7,10,22H,8-9,20H2,1H3,(H3,21,24,25)
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n/an/a 200n/an/an/an/an/an/a



Dermira (Canada), Inc.

US Patent


Assay Description
5 uL of each compound dilution were robotically pipetted to Costar serocluster plates maintaining the same plate layout. All assay mixtures consisted...


US Patent US8754233 (2014)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ILK-1


(Homo sapiens (Human))
BDBM123923
PNG
(US8754233, (4-Benzothiazol-2-yl-1H-pyrazol-3-yl)-[...)
Show SMILES C(Cc1cnc[nH]1)Nc1[nH]ncc1-c1nc2ccccc2s1
Show InChI InChI=1S/C15H14N6S/c1-2-4-13-12(3-1)20-15(22-13)11-8-19-21-14(11)17-6-5-10-7-16-9-18-10/h1-4,7-9H,5-6H2,(H,16,18)(H2,17,19,21)
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Dermira (Canada), Inc.

US Patent


Assay Description
5 uL of each compound dilution were robotically pipetted to Costar serocluster plates maintaining the same plate layout. All assay mixtures consisted...


US Patent US8754233 (2014)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ILK-1


(Homo sapiens (Human))
BDBM124021
PNG
(US8754233, 4-Benzothiazol-2-yl-5-(3-dimethylamino-...)
Show SMILES CN(C)CCCc1[nH]nc(N)c1-c1nc2ccccc2s1
Show InChI InChI=1S/C15H19N5S/c1-20(2)9-5-7-11-13(14(16)19-18-11)15-17-10-6-3-4-8-12(10)21-15/h3-4,6,8H,5,7,9H2,1-2H3,(H3,16,18,19)
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n/an/a 200n/an/an/an/an/an/a



Dermira (Canada), Inc.

US Patent


Assay Description
5 uL of each compound dilution were robotically pipetted to Costar serocluster plates maintaining the same plate layout. All assay mixtures consisted...


US Patent US8754233 (2014)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ILK-1


(Homo sapiens (Human))
BDBM124013
PNG
(US8754233, 4-(6-Methoxy-benzothiazol-2-yl)-5-piper...)
Show SMILES COc1ccc2nc(sc2c1)-c1c(N)n[nH]c1N1CCNCC1
Show InChI InChI=1S/C15H18N6OS/c1-22-9-2-3-10-11(8-9)23-15(18-10)12-13(16)19-20-14(12)21-6-4-17-5-7-21/h2-3,8,17H,4-7H2,1H3,(H3,16,19,20)
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n/an/a 200n/an/an/an/an/an/a



Dermira (Canada), Inc.

US Patent


Assay Description
5 uL of each compound dilution were robotically pipetted to Costar serocluster plates maintaining the same plate layout. All assay mixtures consisted...


US Patent US8754233 (2014)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ILK-1


(Homo sapiens (Human))
BDBM124009
PNG
(US8754233, 4-(6-Fluoro-benzothiazol-2-yl)-1H-pyraz...)
Show SMILES Nc1[nH]ncc1-c1nc2ccc(F)cc2s1
Show InChI InChI=1S/C10H7FN4S/c11-5-1-2-7-8(3-5)16-10(14-7)6-4-13-15-9(6)12/h1-4H,(H3,12,13,15)
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n/an/a 200n/an/an/an/an/an/a



Dermira (Canada), Inc.

US Patent


Assay Description
5 uL of each compound dilution were robotically pipetted to Costar serocluster plates maintaining the same plate layout. All assay mixtures consisted...


US Patent US8754233 (2014)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ILK-1


(Homo sapiens (Human))
BDBM124008
PNG
(US8754233, 4-(6-Dimethylaminomethyl-benzothiazol-2...)
Show SMILES CN(C)Cc1ccc2nc(sc2c1)-c1c(C)[nH]nc1N
Show InChI InChI=1S/C14H17N5S/c1-8-12(13(15)18-17-8)14-16-10-5-4-9(7-19(2)3)6-11(10)20-14/h4-6H,7H2,1-3H3,(H3,15,17,18)
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n/an/a 200n/an/an/an/an/an/a



Dermira (Canada), Inc.

US Patent


Assay Description
5 uL of each compound dilution were robotically pipetted to Costar serocluster plates maintaining the same plate layout. All assay mixtures consisted...


US Patent US8754233 (2014)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ILK-1


(Homo sapiens (Human))
BDBM124004
PNG
(US8754233, 4-(6-Bromo-5-fluoro-benzothiazol-2-yl)-...)
Show SMILES Cc1[nH]nc(N)c1-c1nc2cc(F)c(Br)cc2s1
Show InChI InChI=1S/C11H8BrFN4S/c1-4-9(10(14)17-16-4)11-15-7-3-6(13)5(12)2-8(7)18-11/h2-3H,1H3,(H3,14,16,17)
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n/an/a 200n/an/an/an/an/an/a



Dermira (Canada), Inc.

US Patent


Assay Description
5 uL of each compound dilution were robotically pipetted to Costar serocluster plates maintaining the same plate layout. All assay mixtures consisted...


US Patent US8754233 (2014)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ILK-1


(Homo sapiens (Human))
BDBM124069
PNG
(US8754233, N3-(3-Dimethylamino-propyl)-4-(5-fluoro...)
Show SMILES COc1cc2sc(nc2cc1F)-c1c(N)n[nH]c1NCCCN(C)C
Show InChI InChI=1S/C16H21FN6OS/c1-23(2)6-4-5-19-15-13(14(18)21-22-15)16-20-10-7-9(17)11(24-3)8-12(10)25-16/h7-8H,4-6H2,1-3H3,(H4,18,19,21,22)
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n/an/a 200n/an/an/an/an/an/a



Dermira (Canada), Inc.

US Patent


Assay Description
5 uL of each compound dilution were robotically pipetted to Costar serocluster plates maintaining the same plate layout. All assay mixtures consisted...


US Patent US8754233 (2014)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ILK-1


(Homo sapiens (Human))
BDBM124055
PNG
(US8754233, 5-Methyl-4-(4,5,6-trifluoro-benzothiazo...)
Show SMILES Cc1[nH]nc(N)c1-c1nc2c(F)c(F)c(F)cc2s1
Show InChI InChI=1S/C11H7F3N4S/c1-3-6(10(15)18-17-3)11-16-9-5(19-11)2-4(12)7(13)8(9)14/h2H,1H3,(H3,15,17,18)
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n/an/a 200n/an/an/an/an/an/a



Dermira (Canada), Inc.

US Patent


Assay Description
5 uL of each compound dilution were robotically pipetted to Costar serocluster plates maintaining the same plate layout. All assay mixtures consisted...


US Patent US8754233 (2014)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ILK-1


(Homo sapiens (Human))
BDBM123998
PNG
(US8754233, 4-(5-Fluoro-6-methoxy-benzothiazol-2-yl...)
Show SMILES COc1cc2sc(nc2cc1F)-c1c(N)n[nH]c1NCCc1cnc[nH]1
Show InChI InChI=1S/C16H16FN7OS/c1-25-11-5-12-10(4-9(11)17)22-16(26-12)13-14(18)23-24-15(13)20-3-2-8-6-19-7-21-8/h4-7H,2-3H2,1H3,(H,19,21)(H4,18,20,23,24)
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n/an/a 200n/an/an/an/an/an/a



Dermira (Canada), Inc.

US Patent


Assay Description
5 uL of each compound dilution were robotically pipetted to Costar serocluster plates maintaining the same plate layout. All assay mixtures consisted...


US Patent US8754233 (2014)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ILK-1


(Homo sapiens (Human))
BDBM123997
PNG
(US8754233, 4-(5-Fluoro-6-methoxy-benzothiazol-2-yl...)
Show SMILES COc1cc2sc(nc2cc1F)-c1c(N)[nH]nc1-c1ccncc1
Show InChI InChI=1S/C16H12FN5OS/c1-23-11-7-12-10(6-9(11)17)20-16(24-12)13-14(21-22-15(13)18)8-2-4-19-5-3-8/h2-7H,1H3,(H3,18,21,22)
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n/an/a 200n/an/an/an/an/an/a



Dermira (Canada), Inc.

US Patent


Assay Description
5 uL of each compound dilution were robotically pipetted to Costar serocluster plates maintaining the same plate layout. All assay mixtures consisted...


US Patent US8754233 (2014)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ILK-1


(Homo sapiens (Human))
BDBM123963
PNG
(US8754233, 2-(5-Amino-3-methyl-1H-pyrazol-4-yl)-be...)
Show SMILES Cc1[nH]nc(N)c1-c1nc2ccc(cc2s1)S(=O)(=O)NCCc1cnc[nH]1
Show InChI InChI=1S/C16H17N7O2S2/c1-9-14(15(17)23-22-9)16-21-12-3-2-11(6-13(12)26-16)27(24,25)20-5-4-10-7-18-8-19-10/h2-3,6-8,20H,4-5H2,1H3,(H,18,19)(H3,17,22,23)
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n/an/a 200n/an/an/an/an/an/a



Dermira (Canada), Inc.

US Patent


Assay Description
5 uL of each compound dilution were robotically pipetted to Costar serocluster plates maintaining the same plate layout. All assay mixtures consisted...


US Patent US8754233 (2014)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ILK-1


(Homo sapiens (Human))
BDBM123973
PNG
(US8754233, 3-(5-Amino-4-benzothiazol-2-yl-1H-pyraz...)
Show SMILES Nc1n[nH]c(CCCO)c1-c1nc2ccccc2s1
Show InChI InChI=1S/C13H14N4OS/c14-12-11(9(16-17-12)5-3-7-18)13-15-8-4-1-2-6-10(8)19-13/h1-2,4,6,18H,3,5,7H2,(H3,14,16,17)
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n/an/a 200n/an/an/an/an/an/a



Dermira (Canada), Inc.

US Patent


Assay Description
5 uL of each compound dilution were robotically pipetted to Costar serocluster plates maintaining the same plate layout. All assay mixtures consisted...


US Patent US8754233 (2014)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ILK-1


(Homo sapiens (Human))
BDBM123966
PNG
(US8754233, 2-(5-Amino-3-methyl-1H-pyrazol-4-yl)-be...)
Show SMILES CN(C)CCNS(=O)(=O)c1ccc2nc(sc2c1)-c1c(C)[nH]nc1N
Show InChI InChI=1S/C15H20N6O2S2/c1-9-13(14(16)20-19-9)15-18-11-5-4-10(8-12(11)24-15)25(22,23)17-6-7-21(2)3/h4-5,8,17H,6-7H2,1-3H3,(H3,16,19,20)
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n/an/a 300n/an/an/an/an/an/a



Dermira (Canada), Inc.

US Patent


Assay Description
5 uL of each compound dilution were robotically pipetted to Costar serocluster plates maintaining the same plate layout. All assay mixtures consisted...


US Patent US8754233 (2014)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ILK-1


(Homo sapiens (Human))
BDBM123991
PNG
(US8754233, 4-(5-Fluoro-6-methoxy-benzothiazol-2-yl...)
Show SMILES COc1cc2sc(nc2cc1F)-c1c(N)[nH]nc1-c1ccc(o1)[N+]([O-])=O
Show InChI InChI=1S/C15H10FN5O4S/c1-24-9-5-10-7(4-6(9)16)18-15(26-10)12-13(19-20-14(12)17)8-2-3-11(25-8)21(22)23/h2-5H,1H3,(H3,17,19,20)
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n/an/a 300n/an/an/an/an/an/a



Dermira (Canada), Inc.

US Patent


Assay Description
5 uL of each compound dilution were robotically pipetted to Costar serocluster plates maintaining the same plate layout. All assay mixtures consisted...


US Patent US8754233 (2014)

More data for this
Ligand-Target Pair
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