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Patent code US10618897

Compile Data Set for Download or QSAR
Found 168 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
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438339
PNG
(US10618897, Example 160)
Show SMILES FC[C@@H]1CC(F)(F)CN1C(=O)CN1C(=O)C2(CCN(CC2)C(=O)c2ccc3[nH]ncc3c2)c2c1cccc2Br
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n/an/a 15.8n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438215
PNG
(US10618897, Example 73)
Show SMILES FC(F)(F)C1CN(CCO1)C(=O)CN1C(=O)C2(CCN(CC2)C(=O)c2ccc3[nH]ncc3n2)c2c1cccc2Br
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n/an/a 16.6n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438132
PNG
(US10618897, Example 3)
Show SMILES FC(F)(F)CNC(=O)CN1C(=O)C2(CCN(CC2)C(=O)c2ccc3[nH]ncc3c2)c2c1cccc2Br
Show InChI InChI=1S/C24H21BrF3N5O3/c25-16-2-1-3-18-20(16)23(22(36)33(18)12-19(34)29-13-24(26,27)28)6-8-32(9-7-23)21(35)14-4-5-17-15(10-14)11-30-31-17/h1-5,10-11H,6-9,12-13H2,(H,29,34)(H,30,31)
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n/an/a 16.7n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438213
PNG
(US10618897, Example 72)
Show SMILES FC(F)(F)[C@@H]1CCCN1C(=O)CN1C(=O)C2(CCN(CC2)C(=O)c2ccc3[nH]ncc3n2)c2c1cccc2Br
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n/an/a 17.6n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438286
PNG
(US10618897, Example 107)
Show SMILES FC1(F)CCCN(C1)C(=O)CN1C(=O)C2(CCN(CC2)C(=O)c2ccc3[nH]ncc3c2)c2c1cccc2Br
Show InChI InChI=1S/C27H26BrF2N5O3/c28-19-3-1-4-21-23(19)26(25(38)35(21)15-22(36)34-10-2-7-27(29,30)16-34)8-11-33(12-9-26)24(37)17-5-6-20-18(13-17)14-31-32-20/h1,3-6,13-14H,2,7-12,15-16H2,(H,31,32)
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n/an/a 18.1n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438277
PNG
(US10618897, Example 98)
Show SMILES Brc1cccc2N(CC(=O)N3CCC4CCCC34)C(=O)C3(CCN(CC3)C(=O)c3ccc4[nH]ncc4c3)c12
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n/an/a 18.2n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438335
PNG
(US10618897, Example 156)
Show SMILES FCC1CN(CC1C(F)(F)F)C(=O)CN1C(=O)C2(CCN(CC2)C(=O)c2ccc3[nH]ncc3c2)c2c1cccc2Br
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n/an/a 18.5n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438311
PNG
(US10618897, Example 132)
Show SMILES Brc1cccc2N(CC(=O)N3C[C@@H]4CCC[C@@H]4C3)C(=O)C3(CCN(CC3)C(=O)c3ccc4[nH]ncc4c3)c12
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n/an/a 19n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438323
PNG
(US10618897, Example 144)
Show SMILES Fc1ccc2N(CC(=O)N3CC4CCCC4C3)C(=O)C3(CCN(CC3)C(=O)c3ccc4[nH]ncc4c3)c2c1Cl
PDB

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n/an/a 21.2n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438230
PNG
(US10618897, Example 83)
Show SMILES Fc1ccc2N(CC(=O)NCC(F)(F)F)C(=O)C3(CCN(CC3)C(=O)c3ccc4[nH]ncc4c3)c2c1Br
Show InChI InChI=1S/C24H20BrF4N5O3/c25-20-15(26)2-4-17-19(20)23(22(37)34(17)11-18(35)30-12-24(27,28)29)5-7-33(8-6-23)21(36)13-1-3-16-14(9-13)10-31-32-16/h1-4,9-10H,5-8,11-12H2,(H,30,35)(H,31,32)
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n/an/a 22.4n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438305
PNG
(US10618897, Example 126)
Show SMILES Fc1ccc2N(CCc2c1)C(=O)CN1C(=O)C2(CCN(CC2)C(=O)c2ccc3[nH]ncc3c2)c2c1cccc2Br
Show InChI InChI=1S/C30H25BrFN5O3/c31-22-2-1-3-25-27(22)30(9-12-35(13-10-30)28(39)19-4-6-23-20(14-19)16-33-34-23)29(40)37(25)17-26(38)36-11-8-18-15-21(32)5-7-24(18)36/h1-7,14-16H,8-13,17H2,(H,33,34)
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n/an/a 22.6n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438173
PNG
(US10618897, Example 34)
Show SMILES FC(F)(F)CNC(=O)CN1C(=O)C2(CCN(CC2)C(=O)c2ccc3[nH]ncc3n2)c2c1ccc(Cl)c2Cl
Show InChI InChI=1S/C23H19Cl2F3N6O3/c24-12-1-4-16-18(19(12)25)22(21(37)34(16)10-17(35)29-11-23(26,27)28)5-7-33(8-6-22)20(36)14-3-2-13-15(31-14)9-30-32-13/h1-4,9H,5-8,10-11H2,(H,29,35)(H,30,32)
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n/an/a 22.6n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438229
PNG
(US10618897, Example 82)
Show SMILES Fc1ccc2N(CC(=O)NCC(F)(F)F)C(=O)C3(CCN(CC3)C(=O)c3cnc4[nH]ncc4c3)c2c1Br
Show InChI InChI=1S/C23H19BrF4N6O3/c24-18-14(25)1-2-15-17(18)22(21(37)34(15)10-16(35)30-11-23(26,27)28)3-5-33(6-4-22)20(36)13-7-12-9-31-32-19(12)29-8-13/h1-2,7-9H,3-6,10-11H2,(H,30,35)(H,29,31,32)
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n/an/a 22.9n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438310
PNG
(4-Chloro-5-fluoro-1-(2-((3aR,6aS)-hexahydrocyclope...)
Show SMILES Fc1ccc2N(CC(=O)N3C[C@@H]4CCC[C@@H]4C3)C(=O)C3(CCN(CC3)C(=O)c3ccc4[nH]ncc4n3)c2c1Cl
PDB

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n/an/a 23.7n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438155
PNG
(US10618897, Example 23)
Show SMILES FC(F)(F)CNC(=O)CN1C(=O)C2(CCN(CC2)C(=O)c2ccc3[nH]ncc3n2)c2c1cccc2Br
Show InChI InChI=1S/C23H20BrF3N6O3/c24-13-2-1-3-17-19(13)22(21(36)33(17)11-18(34)28-12-23(25,26)27)6-8-32(9-7-22)20(35)15-5-4-14-16(30-15)10-29-31-14/h1-5,10H,6-9,11-12H2,(H,28,34)(H,29,31)
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n/an/a 25.6n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438274
PNG
(US10618897, Example 95)
Show SMILES FC(F)(F)CC1CCCN1C(=O)CN1C(=O)C2(CCN(CC2)C(=O)c2ccc3[nH]ncc3c2)c2c1cccc2Br
PDB

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n/an/a 26.8n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438304
PNG
(US10618897, Example 125)
Show SMILES CC1CN(C(=O)CN2C(=O)C3(CCN(CC3)C(=O)c3ccc4[nH]ncc4c3)c3c2cccc3Br)c2ccccc12
PDB

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n/an/a 26.8n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438347
PNG
(US10618897, Example 168)
Show SMILES FC(F)(F)CC1CCCN1C(=O)CN1C(=O)C2(CCN(CC2)C(=O)c2ccc3[nH]ncc3n2)c2c1ccc(Cl)c2Cl
PDB

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n/an/a 26.8n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438279
PNG
(US10618897, Example 100)
Show SMILES Fc1ccc2N(CC(=O)N3CCC4CCCC34)C(=O)C3(CCN(CC3)C(=O)c3ccc4[nH]ncc4n3)c2c1Cl
PDB

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n/an/a 27.9n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438218
PNG
(US10618897, Example 75)
Show SMILES FC(F)(F)[C@@H]1CCCN1C(=O)CN1C(=O)C2(CCN(CC2)C(=O)c2cnc3[nH]ncc3c2)c2c1cccc2Br
PDB

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n/an/a 28.2n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438172
PNG
(US10618897, Example 33)
Show SMILES Fc1ccc2N(CC(=O)NCC(F)(F)F)C(=O)C3(CCN(CC3)C(=O)c3ccc4[nH]ncc4c3)c2c1Cl
Show InChI InChI=1S/C24H20ClF4N5O3/c25-20-15(26)2-4-17-19(20)23(22(37)34(17)11-18(35)30-12-24(27,28)29)5-7-33(8-6-23)21(36)13-1-3-16-14(9-13)10-31-32-16/h1-4,9-10H,5-8,11-12H2,(H,30,35)(H,31,32)
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n/an/a 29.5n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438174
PNG
(US10618897, Example 35)
Show SMILES Fc1ccc2N(CC(=O)NCC(F)(F)F)C(=O)C3(CCN(CC3)C(=O)c3ccc4[nH]ncc4n3)c2c1Cl
Show InChI InChI=1S/C23H19ClF4N6O3/c24-19-12(25)1-4-16-18(19)22(21(37)34(16)10-17(35)29-11-23(26,27)28)5-7-33(8-6-22)20(36)14-3-2-13-15(31-14)9-30-32-13/h1-4,9H,5-8,10-11H2,(H,29,35)(H,30,32)
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n/an/a 29.6n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438292
PNG
((+)-4-Chloro-5-fluoro-1-[2-oxo-2-[2-(2,2,2-trifluo...)
Show SMILES Fc1ccc2N(CC(=O)N3CCC[C@@H]3CC(F)(F)F)C(=O)C3(CCN(CC3)C(=O)c3ccc4[nH]ncc4n3)c2c1Cl
PDB

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n/an/a 30.1n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438278
PNG
(US10618897, Example 99)
Show SMILES Fc1ccc2N(CC(=O)N3CCCC3CC(F)(F)F)C(=O)C3(CCN(CC3)C(=O)c3ccc4[nH]ncc4n3)c2c1Cl
PDB

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n/an/a 30.1n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438130
PNG
(US10618897, Example 2)
Show SMILES Cc1cccc2N(CC(=O)NCC(F)(F)F)C(=O)C3(CCN(CC3)C(=O)c3ccc4[nH]ncc4c3)c12
Show InChI InChI=1S/C25H24F3N5O3/c1-15-3-2-4-19-21(15)24(23(36)33(19)13-20(34)29-14-25(26,27)28)7-9-32(10-8-24)22(35)16-5-6-18-17(11-16)12-30-31-18/h2-6,11-12H,7-10,13-14H2,1H3,(H,29,34)(H,30,31)
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n/an/a 30.3n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438338
PNG
(US10618897, Example 159)
Show SMILES Brc1cccc2N(CC(=O)N3CCn4cccc4C3)C(=O)C3(CCN(CC3)C(=O)c3ccc4[nH]ncc4c3)c12
Show InChI InChI=1S/C29H27BrN6O3/c30-22-4-1-5-24-26(22)29(28(39)36(24)18-25(37)35-14-13-33-10-2-3-21(33)17-35)8-11-34(12-9-29)27(38)19-6-7-23-20(15-19)16-31-32-23/h1-7,10,15-16H,8-9,11-14,17-18H2,(H,31,32)
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n/an/a 30.5n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438293
PNG
(US10618897, Example 114 | US10618897, Example 115)
Show SMILES Fc1ccc2N(CC(=O)N3CCC4CCCC34)C(=O)C3(CCN(CC3)C(=O)c3ccc4[nH]ncc4n3)c2c1Cl
PDB

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n/an/a 30.9n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438306
PNG
(US10618897, Example 127)
Show SMILES Brc1cccc2N(CC(=O)N3CCC[C@H]3C#N)C(=O)C3(CCN(CC3)C(=O)c3ccc4[nH]ncc4c3)c12
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n/an/a 30.9n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438285
PNG
(US10618897, Example 106)
Show SMILES CC1CN(CCS1)C(=O)CN1C(=O)C2(CCN(CC2)C(=O)c2ccc3[nH]ncc3c2)c2c1cccc2Br
PDB

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n/an/a 31.8n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438152
PNG
(US10618897, Example 21)
Show SMILES FC(F)(F)CNC(=O)CN1C(=O)C2(CCN(CC2)C(=O)c2cnc3[nH]ncc3c2)c2c1ccc(Cl)c2Cl
Show InChI InChI=1S/C23H19Cl2F3N6O3/c24-14-1-2-15-17(18(14)25)22(21(37)34(15)10-16(35)30-11-23(26,27)28)3-5-33(6-4-22)20(36)13-7-12-9-31-32-19(12)29-8-13/h1-2,7-9H,3-6,10-11H2,(H,30,35)(H,29,31,32)
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n/an/a 32.2n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438308
PNG
(US10618897, Example 129)
Show SMILES CC1(C)CCCN1C(=O)CN1C(=O)C2(CCN(CC2)C(=O)c2ccc3[nH]ncc3n2)c2c1ccc(F)c2Cl
Show InChI InChI=1S/C27H28ClFN6O3/c1-26(2)8-3-11-35(26)21(36)15-34-20-7-4-16(29)23(28)22(20)27(25(34)38)9-12-33(13-10-27)24(37)18-6-5-17-19(31-18)14-30-32-17/h4-7,14H,3,8-13,15H2,1-2H3,(H,30,32)
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n/an/a 32.6n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438302
PNG
(US10618897, Example 123)
Show SMILES CN(C(=O)CN1C(=O)C2(CCN(CC2)C(=O)c2ccc3[nH]ncc3c2)c2c1cccc2Br)c1cc(C)on1
Show InChI InChI=1S/C27H25BrN6O4/c1-16-12-22(31-38-16)32(2)23(35)15-34-21-5-3-4-19(28)24(21)27(26(34)37)8-10-33(11-9-27)25(36)17-6-7-20-18(13-17)14-29-30-20/h3-7,12-14H,8-11,15H2,1-2H3,(H,29,30)
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n/an/a 33.2n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438320
PNG
(US10618897, Example 141)
Show SMILES Fc1ccc2N(CC(=O)N3CC(F)(F)C(F)(F)C3)C(=O)C3(CCN(CC3)C(=O)c3ccc4[nH]ncc4c3)c2c1Cl
Show InChI InChI=1S/C26H21ClF5N5O3/c27-21-16(28)2-4-18-20(21)24(23(40)37(18)11-19(38)36-12-25(29,30)26(31,32)13-36)5-7-35(8-6-24)22(39)14-1-3-17-15(9-14)10-33-34-17/h1-4,9-10H,5-8,11-13H2,(H,33,34)
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n/an/a 34.2n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438336
PNG
(US10618897, Example 157)
Show SMILES Fc1ccc2N(CC(=O)N3CCC4(COC4)C3)C(=O)C3(CCN(CC3)C(=O)c3ccc4[nH]ncc4c3)c2c1Cl
Show InChI InChI=1S/C28H27ClFN5O4/c29-24-19(30)2-4-21-23(24)28(26(38)35(21)13-22(36)34-8-5-27(14-34)15-39-16-27)6-9-33(10-7-28)25(37)17-1-3-20-18(11-17)12-31-32-20/h1-4,11-12H,5-10,13-16H2,(H,31,32)
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n/an/a 34.4n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438316
PNG
(US10618897, Example 137)
Show SMILES FC(F)(F)CNC(=O)CN1C(=O)C2(CN(C2)C(=O)c2ccc3[nH]ncc3n2)c2c1cccc2Br
Show InChI InChI=1S/C21H16BrF3N6O3/c22-11-2-1-3-15-17(11)20(19(34)31(15)7-16(32)26-8-21(23,24)25)9-30(10-20)18(33)13-5-4-12-14(28-13)6-27-29-12/h1-6H,7-10H2,(H,26,32)(H,27,29)
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n/an/a 34.5n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438280
PNG
(US10618897, Example 101)
Show SMILES Fc1ccc2N(CC(=O)N3CCC[C@H]3C(F)(F)F)C(=O)C3(CCN(CC3)C(=O)c3ccc4[nH]ncc4n3)c2c1Cl
PDB

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n/an/a 34.7n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438314
PNG
(US10618897, Example 135)
Show SMILES Fc1ccc2N(CC(=O)N3CC4(CCC4(F)F)C3)C(=O)C3(CCN(CC3)C(=O)c3ccc4[nH]ncc4n3)c2c1Cl
Show InChI InChI=1S/C27H24ClF3N6O3/c28-22-15(29)1-4-19-21(22)26(24(40)37(19)12-20(38)36-13-25(14-36)5-6-27(25,30)31)7-9-35(10-8-26)23(39)17-3-2-16-18(33-17)11-32-34-16/h1-4,11H,5-10,12-14H2,(H,32,34)
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n/an/a 34.7n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438236
PNG
(US10618897, Example 88)
Show SMILES Brc1cccc2N(CC(=O)Nc3ccccc3)C(=O)C3(CCN(CC3)C(=O)c3ccc4[nH]ncc4c3)c12
Show InChI InChI=1S/C28H24BrN5O3/c29-21-7-4-8-23-25(21)28(27(37)34(23)17-24(35)31-20-5-2-1-3-6-20)11-13-33(14-12-28)26(36)18-9-10-22-19(15-18)16-30-32-22/h1-10,15-16H,11-14,17H2,(H,30,32)(H,31,35)
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n/an/a 35.4n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438291
PNG
((−)-4-Chloro-5-fluoro-1-[2-oxo-2-(2,2,2-trif...)
Show SMILES Fc1ccc2N(CC(=O)N3CCC[C@H]3CC(F)(F)F)C(=O)C3(CCN(CC3)C(=O)c3ccc4[nH]ncc4n3)c2c1Cl
PDB

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n/an/a 36.1n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438198
PNG
(US10618897, Example 58)
Show SMILES FC(F)(F)CNC(=O)CN1C(=O)C2(CCN(CC2)C(=O)c2ccc3[nH]ncc3c2)c2c1cccc2Cl
Show InChI InChI=1S/C24H21ClF3N5O3/c25-16-2-1-3-18-20(16)23(22(36)33(18)12-19(34)29-13-24(26,27)28)6-8-32(9-7-23)21(35)14-4-5-17-15(10-14)11-30-31-17/h1-5,10-11H,6-9,12-13H2,(H,29,34)(H,30,31)
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n/an/a 36.4n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438299
PNG
(US10618897, Example 120)
Show SMILES Fc1ccc2N(CC(=O)NCC(F)(F)F)C(=O)C3(CCN(CC3)C(=O)c3ncc4[nH]ncc4n3)c2c1Cl
Show InChI InChI=1S/C22H18ClF4N7O3/c23-17-11(24)1-2-14-16(17)21(20(37)34(14)9-15(35)29-10-22(25,26)27)3-5-33(6-4-21)19(36)18-28-7-13-12(31-18)8-30-32-13/h1-2,7-8H,3-6,9-10H2,(H,29,35)(H,30,32)
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n/an/a 36.5n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438140
PNG
(US10618897, Example 10)
Show SMILES FC(F)(F)CNC(=O)CN1C(=O)C2(CCN(CC2)C(=O)c2cnc3[nH]ncc3c2)c2c1cccc2Br
Show InChI InChI=1S/C23H20BrF3N6O3/c24-15-2-1-3-16-18(15)22(21(36)33(16)11-17(34)29-12-23(25,26)27)4-6-32(7-5-22)20(35)14-8-13-10-30-31-19(13)28-9-14/h1-3,8-10H,4-7,11-12H2,(H,29,34)(H,28,30,31)
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n/an/a 36.6n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438203
PNG
(US10618897, Example 63)
Show SMILES FC1(F)CCN(C1)C(=O)CN1C(=O)C2(CCN(CC2)C(=O)c2ccc3[nH]ncc3c2)c2c1cccc2Br
Show InChI InChI=1S/C26H24BrF2N5O3/c27-18-2-1-3-20-22(18)25(24(37)34(20)14-21(35)33-11-8-26(28,29)15-33)6-9-32(10-7-25)23(36)16-4-5-19-17(12-16)13-30-31-19/h1-5,12-13H,6-11,14-15H2,(H,30,31)
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n/an/a 37.8n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438334
PNG
(US10618897, Example 155)
Show SMILES Fc1ccc2N(CC(=O)NC3CC3(F)F)C(=O)C3(CCN(CC3)C(=O)c3ccc4[nH]ncc4c3)c2c1Cl
PDB

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n/an/a 38.3n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438147
PNG
(US10618897, Example 16)
Show SMILES Cc1cccc2N(CC(=O)N3CCC[C@H]3C(F)(F)F)C(=O)C3(CCN(CC3)C(=O)c3cnc4[nH]ncc4c3)c12
PDB

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n/an/a 38.9n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438293
PNG
(US10618897, Example 114 | US10618897, Example 115)
Show SMILES Fc1ccc2N(CC(=O)N3CCC4CCCC34)C(=O)C3(CCN(CC3)C(=O)c3ccc4[nH]ncc4n3)c2c1Cl
PDB

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n/an/a 39.5n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438331
PNG
(US10618897, Example 152 | US10618897, Example 153)
Show SMILES CC1CN(C(=O)CN2C(=O)C3(CCN(CC3)C(=O)c3ccc4[nH]ncc4c3)c3c2cccc3Br)c2ccccc12
PDB

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n/an/a 40n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438186
PNG
(US10618897, Example 46)
Show SMILES Cc1cccc2N(CC(=O)N3CCC[C@H]3C(F)(F)F)C(=O)C3(CCN(CC3)C(=O)c3ccc4[nH]ncc4n3)c12
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n/an/a 40.7n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438220
PNG
(US10618897, Example 76)
Show SMILES FC(F)(F)C1CN(CCO1)C(=O)CN1C(=O)C2(CCN(CC2)C(=O)c2cnc3[nH]ncc3c2)c2c1cccc2Br
PDB

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n/an/a 41.3n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438295
PNG
(US10618897, Example 116 | US10618897, Example 117)
Show SMILES Fc1ccc2N(CC(=O)N3CCOC(C3)C(F)(F)F)C(=O)C3(CCN(CC3)C(=O)c3ccc4[nH]ncc4n3)c2c1Cl
PDB

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n/an/a 42n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438318
PNG
(US10618897, Example 139)
Show SMILES Brc1cccc2N(CC(=O)N3CCc4ccccc34)C(=O)C3(CCN(CC3)C(=O)c3ccc4[nH]ncc4c3)c12
Show InChI InChI=1S/C30H26BrN5O3/c31-22-5-3-7-25-27(22)30(29(39)36(25)18-26(37)35-13-10-19-4-1-2-6-24(19)35)11-14-34(15-12-30)28(38)20-8-9-23-21(16-20)17-32-33-23/h1-9,16-17H,10-15,18H2,(H,32,33)
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n/an/a 43.3n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438309
PNG
(US10618897, Example 130)
Show SMILES Fc1ccc2N(CC(=O)N3CC(C3)C(F)(F)F)C(=O)C3(CCN(CC3)C(=O)c3ccc4[nH]ncc4n3)c2c1Cl
Show InChI InChI=1S/C25H21ClF4N6O3/c26-21-14(27)1-4-18-20(21)24(23(39)36(18)12-19(37)35-10-13(11-35)25(28,29)30)5-7-34(8-6-24)22(38)16-3-2-15-17(32-16)9-31-33-15/h1-4,9,13H,5-8,10-12H2,(H,31,33)
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n/an/a 43.6n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438176
PNG
(US10618897, Example 37)
Show SMILES FC(F)(F)CNC(=O)CN1C(=O)C2(CCN(CC2)C(=O)c2ccc3[nH]ncc3c2)c2c1ccc(Cl)c2Cl
Show InChI InChI=1S/C24H20Cl2F3N5O3/c25-15-2-4-17-19(20(15)26)23(22(37)34(17)11-18(35)30-12-24(27,28)29)5-7-33(8-6-23)21(36)13-1-3-16-14(9-13)10-31-32-16/h1-4,9-10H,5-8,11-12H2,(H,30,35)(H,31,32)
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n/an/a 43.9n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438185
PNG
(US10618897, Example 45)
Show SMILES FC(F)(F)[C@@H]1CCCN1C(=O)CN1C(=O)C2(CCN(CC2)C(=O)c2ccc3[nH]ncc3c2)c2c1cccc2Br
PDB

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n/an/a 44.3n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438275
PNG
(US10618897, Example 96)
Show SMILES FC1(F)CCN(CC1)C(=O)CN1C(=O)C2(CCN(CC2)C(=O)c2ccc3[nH]ncc3c2)c2c1cccc2Br
Show InChI InChI=1S/C27H26BrF2N5O3/c28-19-2-1-3-21-23(19)26(25(38)35(21)16-22(36)33-12-8-27(29,30)9-13-33)6-10-34(11-7-26)24(37)17-4-5-20-18(14-17)15-31-32-20/h1-5,14-15H,6-13,16H2,(H,31,32)
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n/an/a 44.5n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438271
PNG
(US10618897, Example 94)
Show SMILES FC(F)(F)[C@@H]1CCCN1C(=O)CN1C(=O)C2(CCN(CC2)C(=O)c2ccc3[nH]ncc3c2)c2nc(Cl)ccc12
PDB

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n/an/a 44.6n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438232
PNG
(US10618897, Example 85)
Show SMILES Brc1cccc2N(CC(=O)N3CCOc4ccccc34)C(=O)C3(CCN(CC3)C(=O)c3ccc4[nH]ncc4c3)c12
Show InChI InChI=1S/C30H26BrN5O4/c31-21-4-3-6-24-27(21)30(10-12-34(13-11-30)28(38)19-8-9-22-20(16-19)17-32-33-22)29(39)36(24)18-26(37)35-14-15-40-25-7-2-1-5-23(25)35/h1-9,16-17H,10-15,18H2,(H,32,33)
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n/an/a 46.2n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438202
PNG
(US10618897, Example 62)
Show SMILES FC(F)(F)C1CN(CCO1)C(=O)CN1C(=O)C2(CCN(CC2)C(=O)c2ccc3[nH]ncc3c2)c2c1cccc2Br
PDB

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n/an/a 46.9n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438327
PNG
(US10618897, Example 148)
Show SMILES Fc1ccc2N(CC(=O)N3CCC[C@H]3C(F)(F)F)C(=O)C3(CCN(CC3)C(=O)c3ccc4[nH]ncc4c3)c2c1Cl
PDB

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n/an/a 47.2n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438175
PNG
(US10618897, Example 36)
Show SMILES Fc1ccc2N(CC(=O)NCC(F)(F)F)C(=O)C3(CCN(CC3)C(=O)c3cnc4[nH]ncc4c3)c2c1Cl
Show InChI InChI=1S/C23H19ClF4N6O3/c24-18-14(25)1-2-15-17(18)22(21(37)34(15)10-16(35)30-11-23(26,27)28)3-5-33(6-4-22)20(36)13-7-12-9-31-32-19(12)29-8-13/h1-2,7-9H,3-6,10-11H2,(H,30,35)(H,29,31,32)
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n/an/a 48.4n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438325
PNG
(US10618897, Example 146)
Show SMILES COCC1CCCN1C(=O)CN1C(=O)C2(CCN(CC2)C(=O)c2ccc3[nH]ncc3c2)c2c1ccc(F)c2Cl
PDB

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n/an/a 48.4n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438289
PNG
(US10618897, Example 110 | US10618897, Example 111)
Show SMILES FC(F)(F)CC1CCCN1C(=O)CN1C(=O)C2(CCN(CC2)C(=O)c2ccc3[nH]ncc3n2)c2c1ccc(Cl)c2Cl
PDB

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n/an/a 49.6n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438282
PNG
(US10618897, Example 103)
Show SMILES Nc1n[nH]c2cc(ccc12)C(=O)N1CCC2(CC1)C(=O)N(CC(=O)NCC(F)(F)F)c1ccc(F)c(Cl)c21
Show InChI InChI=1S/C24H21ClF4N6O3/c25-19-14(26)3-4-16-18(19)23(22(38)35(16)10-17(36)31-11-24(27,28)29)5-7-34(8-6-23)21(37)12-1-2-13-15(9-12)32-33-20(13)30/h1-4,9H,5-8,10-11H2,(H,31,36)(H3,30,32,33)
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n/an/a 50.3n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438315
PNG
(US10618897, Example 136)
Show SMILES Nc1n[nH]c2cc(ccc12)C(=O)N1CC2(C1)C(=O)N(CC(=O)NCC(F)(F)F)c1cccc(Br)c21
Show InChI InChI=1S/C22H18BrF3N6O3/c23-13-2-1-3-15-17(13)21(20(35)32(15)7-16(33)28-8-22(24,25)26)9-31(10-21)19(34)11-4-5-12-14(6-11)29-30-18(12)27/h1-6H,7-10H2,(H,28,33)(H3,27,29,30)
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n/an/a 52.5n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438300
PNG
(US10618897, Example 121)
Show SMILES CN(CC1COC1)C(=O)CN1C(=O)C2(CCN(CC2)C(=O)c2ccc3[nH]ncc3c2)c2c1cccc2Br
Show InChI InChI=1S/C27H28BrN5O4/c1-31(13-17-15-37-16-17)23(34)14-33-22-4-2-3-20(28)24(22)27(26(33)36)7-9-32(10-8-27)25(35)18-5-6-21-19(11-18)12-29-30-21/h2-6,11-12,17H,7-10,13-16H2,1H3,(H,29,30)
PDB

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n/an/a 52.9n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438281
PNG
(US10618897, Example 102)
Show SMILES Fc1ccc2N(CC(=O)N3CCOC(C3)C(F)(F)F)C(=O)C3(CCN(CC3)C(=O)c3ccc4[nH]ncc4n3)c2c1Cl
PDB

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n/an/a 53n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438187
PNG
(US10618897, Example 47)
Show SMILES C[C@H](NC(=O)CN1C(=O)C2(CCN(CC2)C(=O)c2ccc3[nH]ncc3c2)c2c1cccc2C)C(F)(F)F
PDB

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n/an/a 53.3n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438331
PNG
(US10618897, Example 152 | US10618897, Example 153)
Show SMILES CC1CN(C(=O)CN2C(=O)C3(CCN(CC3)C(=O)c3ccc4[nH]ncc4c3)c3c2cccc3Br)c2ccccc12
PDB

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n/an/a 53.8n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438231
PNG
(US10618897, Example 84)
Show SMILES CC1(C)COCCN1C(=O)CN1C(=O)C2(CCN(CC2)C(=O)c2ccc3[nH]ncc3c2)c2c1cccc2Br
Show InChI InChI=1S/C28H30BrN5O4/c1-27(2)17-38-13-12-34(27)23(35)16-33-22-5-3-4-20(29)24(22)28(26(33)37)8-10-32(11-9-28)25(36)18-6-7-21-19(14-18)15-30-31-21/h3-7,14-15H,8-13,16-17H2,1-2H3,(H,30,31)
PDB

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n/an/a 54.9n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438170
PNG
(US10618897, Example 31)
Show SMILES FC(F)(F)CNC(=O)CN1C(=O)C2(CCN(CC2)C(=O)c2cc3cn[nH]c3cn2)c2c1ccc(Cl)c2Cl
Show InChI InChI=1S/C23H19Cl2F3N6O3/c24-13-1-2-16-18(19(13)25)22(21(37)34(16)10-17(35)30-11-23(26,27)28)3-5-33(6-4-22)20(36)14-7-12-8-31-32-15(12)9-29-14/h1-2,7-9H,3-6,10-11H2,(H,30,35)(H,31,32)
PDB

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n/an/a 55.7n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438206
PNG
(US10618897, Example 66)
Show SMILES FC1(F)CCN(C1)C(=O)CN1C(=O)C2(CCN(CC2)C(=O)c2ccc3[nH]ncc3n2)c2c1cccc2Br
Show InChI InChI=1S/C25H23BrF2N6O3/c26-15-2-1-3-19-21(15)24(23(37)34(19)13-20(35)33-11-8-25(27,28)14-33)6-9-32(10-7-24)22(36)17-5-4-16-18(30-17)12-29-31-16/h1-5,12H,6-11,13-14H2,(H,29,31)
PDB

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n/an/a 57n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438324
PNG
(US10618897, Example 145)
Show SMILES Fc1ccc2N(CC(=O)NC3(CC3)C#N)C(=O)C3(CCN(CC3)C(=O)c3ccc4[nH]ncc4c3)c2c1Cl
Show InChI InChI=1S/C26H22ClFN6O3/c27-22-17(28)2-4-19-21(22)26(24(37)34(19)13-20(35)31-25(14-29)5-6-25)7-9-33(10-8-26)23(36)15-1-3-18-16(11-15)12-30-32-18/h1-4,11-12H,5-10,13H2,(H,30,32)(H,31,35)
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n/an/a 57.2n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438212
PNG
(US10618897, Example 71)
Show SMILES FC(F)(F)[C@@H]1CCCN1C(=O)CN1C(=O)C2(CCN(CC2)C(=O)c2cc3cn[nH]c3cn2)c2c1cccc2Br
PDB

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n/an/a 57.3n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438298
PNG
(US10618897, Example 119)
Show SMILES FC(F)(F)CNC(=O)CN1C(=O)C2(CCN(CC2)C(=O)c2ncc3[nH]ncc3n2)c2c1cccc2Br
Show InChI InChI=1S/C22H19BrF3N7O3/c23-12-2-1-3-15-17(12)21(20(36)33(15)10-16(34)28-11-22(24,25)26)4-6-32(7-5-21)19(35)18-27-8-14-13(30-18)9-29-31-14/h1-3,8-9H,4-7,10-11H2,(H,28,34)(H,29,31)
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n/an/a 59.2n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438295
PNG
(US10618897, Example 116 | US10618897, Example 117)
Show SMILES Fc1ccc2N(CC(=O)N3CCOC(C3)C(F)(F)F)C(=O)C3(CCN(CC3)C(=O)c3ccc4[nH]ncc4n3)c2c1Cl
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n/an/a 59.7n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438135
PNG
(US10618897, Example 6)
Show SMILES FC(F)(F)CNC(=O)CN1C(=O)C2(CCN(CC2)C(=O)c2cnc3[nH]ncc3c2)c2c1cccc2Cl
Show InChI InChI=1S/C23H20ClF3N6O3/c24-15-2-1-3-16-18(15)22(21(36)33(16)11-17(34)29-12-23(25,26)27)4-6-32(7-5-22)20(35)14-8-13-10-30-31-19(13)28-9-14/h1-3,8-10H,4-7,11-12H2,(H,29,34)(H,28,30,31)
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n/an/a 59.7n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438289
PNG
(US10618897, Example 110 | US10618897, Example 111)
Show SMILES FC(F)(F)CC1CCCN1C(=O)CN1C(=O)C2(CCN(CC2)C(=O)c2ccc3[nH]ncc3n2)c2c1ccc(Cl)c2Cl
PDB

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n/an/a 60.1n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438303
PNG
(US10618897, Example 124)
Show SMILES Brc1cccc2N(CC(=O)N3CCc4[nH]ccc4C3)C(=O)C3(CCN(CC3)C(=O)c3ccc4[nH]ncc4c3)c12
Show InChI InChI=1S/C29H27BrN6O3/c30-21-2-1-3-24-26(21)29(28(39)36(24)17-25(37)35-11-7-22-19(16-35)6-10-31-22)8-12-34(13-9-29)27(38)18-4-5-23-20(14-18)15-32-33-23/h1-6,10,14-15,31H,7-9,11-13,16-17H2,(H,32,33)
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n/an/a 60.4n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438158
PNG
(US10618897, Example 24)
Show SMILES Cc1cccc2N(CC(=O)N3CCOC(C3)C(F)(F)F)C(=O)C3(CCN(CC3)C(=O)c3cnc4[nH]ncc4c3)c12
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n/an/a 60.5n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438207
PNG
(US10618897, Example 67)
Show SMILES FC(F)(F)C1CCN(C1)C(=O)CN1C(=O)C2(CCN(CC2)C(=O)c2cnc3[nH]ncc3c2)c2c1cccc2Br
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n/an/a 62.4n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438322
PNG
(US10618897, Example 143)
Show SMILES Fc1ccc2N(CC(=O)N3CCCC3C#N)C(=O)C3(CCN(CC3)C(=O)c3ccc4[nH]ncc4c3)c2c1Cl
PDB

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n/an/a 64.5n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438205
PNG
(US10618897, Example 65)
Show SMILES FC(F)(F)C1CCN(C1)C(=O)CN1C(=O)C2(CCN(CC2)C(=O)c2ccc3[nH]ncc3n2)c2c1cccc2Br
PDB

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n/an/a 64.8n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438337
PNG
(US10618897, Example 158)
Show SMILES F[C@H]1CN(C[C@H]1F)C(=O)CN1C(=O)C2(CCN(CC2)C(=O)c2ccc3[nH]ncc3c2)c2c1cccc2Br
PDB

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n/an/a 64.9n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438235
PNG
(US10618897, Example 87)
Show SMILES Brc1cccc2N(CC(=O)Nc3ccccc3CN3CCOCC3)C(=O)C3(CCN(CC3)C(=O)c3ccc4[nH]ncc4c3)c12
Show InChI InChI=1S/C33H33BrN6O4/c34-25-5-3-7-28-30(25)33(10-12-39(13-11-33)31(42)22-8-9-27-24(18-22)19-35-37-27)32(43)40(28)21-29(41)36-26-6-2-1-4-23(26)20-38-14-16-44-17-15-38/h1-9,18-19H,10-17,20-21H2,(H,35,37)(H,36,41)
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n/an/a 66.8n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438228
PNG
(US10618897, Example 81)
Show SMILES C[C@H](N(C)C(=O)CN1C(=O)C2(CCN(CC2)C(=O)c2ccc3[nH]ncc3c2)c2c1cccc2C)C(F)(F)F
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n/an/a 67.7n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438313
PNG
(US10618897, Example 134)
Show SMILES Fc1ccc2N(CC(=O)N3CCN4CCCC4C3)C(=O)C3(CCN(CC3)C(=O)c3ccc4[nH]ncc4n3)c2c1Cl
PDB

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n/an/a 67.9n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438210
PNG
(US10618897, Example 69)
Show SMILES FC(F)(F)C1CCN(C1)C(=O)CN1C(=O)C2(CCN(CC2)C(=O)c2cc3cn[nH]c3cn2)c2c1cccc2Br
PDB

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n/an/a 72.8n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438204
PNG
(US10618897, Example 64)
Show SMILES FC(F)(F)C1CCN(C1)C(=O)CN1C(=O)C2(CCN(CC2)C(=O)c2ccc3[nH]ncc3c2)c2c1cccc2Br
PDB

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n/an/a 80.1n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438225
PNG
(US10618897, Example 78)
Show SMILES Clc1cccc2N(Cc3nc(no3)C3CC3)C(=O)C3(CCN(CC3)C(=O)c3ccc4[nH]ncc4c3)c12
Show InChI InChI=1S/C26H23ClN6O3/c27-18-2-1-3-20-22(18)26(25(35)33(20)14-21-29-23(31-36-21)15-4-5-15)8-10-32(11-9-26)24(34)16-6-7-19-17(12-16)13-28-30-19/h1-3,6-7,12-13,15H,4-5,8-11,14H2,(H,28,30)
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n/an/a 80.2n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438321
PNG
(US10618897, Example 142)
Show SMILES COC1CCN(C1)C(=O)CN1C(=O)C2(CCN(CC2)C(=O)c2ccc3[nH]ncc3c2)c2c1ccc(F)c2Cl
PDB

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n/an/a 80.4n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438266
PNG
(US10618897, Example 90)
Show SMILES Cc1cccc2N(CC(=O)NCCC(F)(F)F)C(=O)C3(CCN(CC3)C(=O)c3ccc4[nH]ncc4c3)c12
Show InChI InChI=1S/C26H26F3N5O3/c1-16-3-2-4-20-22(16)25(24(37)34(20)15-21(35)30-10-7-26(27,28)29)8-11-33(12-9-25)23(36)17-5-6-19-18(13-17)14-31-32-19/h2-6,13-14H,7-12,15H2,1H3,(H,30,35)(H,31,32)
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n/an/a 80.9n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438297
PNG
(US10618897, Example 118)
Show SMILES FC(F)(F)CNC(=O)CN1C(=O)C2(CN(C2)C(=O)c2ccc3[nH]ncc3c2)c2c1cccc2Br
Show InChI InChI=1S/C22H17BrF3N5O3/c23-14-2-1-3-16-18(14)21(20(34)31(16)8-17(32)27-9-22(24,25)26)10-30(11-21)19(33)12-4-5-15-13(6-12)7-28-29-15/h1-7H,8-11H2,(H,27,32)(H,28,29)
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n/an/a 81.4n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438171
PNG
(US10618897, Example 32)
Show SMILES Fc1ccc2N(CC(=O)NCC(F)(F)F)C(=O)C3(CCN(CC3)C(=O)c3cc4cn[nH]c4cn3)c2c1Cl
Show InChI InChI=1S/C23H19ClF4N6O3/c24-19-13(25)1-2-16-18(19)22(21(37)34(16)10-17(35)30-11-23(26,27)28)3-5-33(6-4-22)20(36)14-7-12-8-31-32-15(12)9-29-14/h1-2,7-9H,3-6,10-11H2,(H,30,35)(H,31,32)
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n/an/a 84.9n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438148
PNG
(US10618897, Example 17)
Show SMILES FC(F)(F)CNC(=O)CN1C(=O)C2(CCN(CC2)C(=O)c2cnc3[nH]ncc3c2)c2c1cccc2C#N
Show InChI InChI=1S/C24H20F3N7O3/c25-24(26,27)13-30-18(35)12-34-17-3-1-2-14(9-28)19(17)23(22(34)37)4-6-33(7-5-23)21(36)16-8-15-11-31-32-20(15)29-10-16/h1-3,8,10-11H,4-7,12-13H2,(H,30,35)(H,29,31,32)
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n/an/a 89.3n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438190
PNG
(US10618897, Example 50)
Show SMILES Cc1cccc2N(CC(=O)NCC(F)(F)F)C(=O)C3(CCN(CC3)C(=O)c3ccc4[nH]ncc4n3)c12
Show InChI InChI=1S/C24H23F3N6O3/c1-14-3-2-4-18-20(14)23(22(36)33(18)12-19(34)28-13-24(25,26)27)7-9-32(10-8-23)21(35)16-6-5-15-17(30-16)11-29-31-15/h2-6,11H,7-10,12-13H2,1H3,(H,28,34)(H,29,31)
PDB

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n/an/a 89.5n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438301
PNG
(US10618897, Example 122)
Show SMILES CN(CC#N)C(=O)CN1C(=O)C2(CCN(CC2)C(=O)c2ccc3[nH]ncc3c2)c2c1cccc2Br
Show InChI InChI=1S/C25H23BrN6O3/c1-30(12-9-27)21(33)15-32-20-4-2-3-18(26)22(20)25(24(32)35)7-10-31(11-8-25)23(34)16-5-6-19-17(13-16)14-28-29-19/h2-6,13-14H,7-8,10-12,15H2,1H3,(H,28,29)
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n/an/a 89.6n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438234
PNG
(US10618897, Example 86)
Show SMILES Brc1cccc2N(CC(=O)Nc3ccccn3)C(=O)C3(CCN(CC3)C(=O)c3ccc4[nH]ncc4c3)c12
Show InChI InChI=1S/C27H23BrN6O3/c28-19-4-3-5-21-24(19)27(26(37)34(21)16-23(35)31-22-6-1-2-11-29-22)9-12-33(13-10-27)25(36)17-7-8-20-18(14-17)15-30-32-20/h1-8,11,14-15H,9-10,12-13,16H2,(H,30,32)(H,29,31,35)
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n/an/a 90.5n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438180
PNG
(US10618897, Example 41)
Show SMILES Cc1cccc2N(CC(=O)N3CCC(F)(F)C3)C(=O)C3(CCN(CC3)C(=O)c3ccc4[nH]ncc4c3)c12
Show InChI InChI=1S/C27H27F2N5O3/c1-17-3-2-4-21-23(17)26(25(37)34(21)15-22(35)33-12-9-27(28,29)16-33)7-10-32(11-8-26)24(36)18-5-6-20-19(13-18)14-30-31-20/h2-6,13-14H,7-12,15-16H2,1H3,(H,30,31)
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n/an/a 95.2n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438326
PNG
(US10618897, Example 147)
Show SMILES FC1CCN(C1)C(=O)CN1C(=O)C2(CCN(CC2)C(=O)c2ccc3[nH]ncc3c2)c2c1ccc(F)c2Cl
PDB

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n/an/a 96.1n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438288
PNG
(US10618897, Example 109)
Show SMILES FC1CCN(C1)C(=O)CN1C(=O)C2(CCN(CC2)C(=O)c2ccc3[nH]ncc3c2)c2c1cccc2Br
PDB

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n/an/a 97.9n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438317
PNG
(US10618897, Example 138)
Show SMILES Fc1ccc2N(CC(=O)N3CC(F)(F)C3)C(=O)C3(CCN(CC3)C(=O)c3ccc4[nH]ncc4c3)c2c1Cl
Show InChI InChI=1S/C25H21ClF3N5O3/c26-21-16(27)2-4-18-20(21)24(23(37)34(18)11-19(35)33-12-25(28,29)13-33)5-7-32(8-6-24)22(36)14-1-3-17-15(9-14)10-30-31-17/h1-4,9-10H,5-8,11-13H2,(H,30,31)
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n/an/a 98.5n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438189
PNG
(US10618897, Example 49)
Show SMILES Cc1cccc2N(Cc3nc(no3)C3CC3)C(=O)C3(CCN(CC3)C(=O)c3ccc4[nH]ncc4c3)c12
Show InChI InChI=1S/C27H26N6O3/c1-16-3-2-4-21-23(16)27(26(35)33(21)15-22-29-24(31-36-22)17-5-6-17)9-11-32(12-10-27)25(34)18-7-8-20-19(13-18)14-28-30-20/h2-4,7-8,13-14,17H,5-6,9-12,15H2,1H3,(H,28,30)
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n/an/a 102n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438328
PNG
(US10618897, Example 149)
Show SMILES Fc1ccc2N(CC(=O)N3CCC[C@@H]3C(F)(F)F)C(=O)C3(CCN(CC3)C(=O)c3ccc4[nH]ncc4c3)c2c1Cl
PDB

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n/an/a 102n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438143
PNG
(US10618897, Example 13)
Show SMILES Fc1ccc2N(CC(=O)NCC(F)(F)F)C(=O)C3(CCN(CC3)C(=O)c3cnc4[nH]ncc4c3)c2c1F
Show InChI InChI=1S/C23H19F5N6O3/c24-14-1-2-15-17(18(14)25)22(21(37)34(15)10-16(35)30-11-23(26,27)28)3-5-33(6-4-22)20(36)13-7-12-9-31-32-19(12)29-8-13/h1-2,7-9H,3-6,10-11H2,(H,30,35)(H,29,31,32)
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n/an/a 104n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438208
PNG
(US10618897, Example 68)
Show SMILES FC1(F)CCN(C1)C(=O)CN1C(=O)C2(CCN(CC2)C(=O)c2cnc3[nH]ncc3c2)c2c1cccc2Br
Show InChI InChI=1S/C25H23BrF2N6O3/c26-17-2-1-3-18-20(17)24(23(37)34(18)13-19(35)33-9-6-25(27,28)14-33)4-7-32(8-5-24)22(36)16-10-15-12-30-31-21(15)29-11-16/h1-3,10-12H,4-9,13-14H2,(H,29,30,31)
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n/an/a 104n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438200
PNG
(US10618897, Example 60)
Show SMILES FC(F)(F)[C@@H]1CCCN1C(=O)CN1C(=O)C2(CCN(CC2)C(=O)c2ccc3[nH]ncc3c2)c2c1cccc2Cl
PDB

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n/an/a 104n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438183
PNG
(US10618897, Example 43)
Show SMILES Cc1cccc2N(CC(=O)N3CCC(O)(C3)C(F)(F)F)C(=O)C3(CCN(CC3)C(=O)c3ccc4[nH]ncc4c3)c12
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n/an/a 110n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438341
PNG
(5-(4-Chloro-5-fluoro-2-oxo-1-{[(2,2,2-trifluoroeth...)
Show SMILES OC(=O)c1n[nH]c2ccc(cc12)C(=O)N1CCC2(CC1)C(=O)N(CC(=O)NCC(F)(F)F)c1ccc(F)c(Cl)c21
Show InChI InChI=1S/C25H20ClF4N5O5/c26-19-14(27)2-4-16-18(19)24(23(40)35(16)10-17(36)31-11-25(28,29)30)5-7-34(8-6-24)21(37)12-1-3-15-13(9-12)20(22(38)39)33-32-15/h1-4,9H,5-8,10-11H2,(H,31,36)(H,32,33)(H,38,39)
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n/an/a 110n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438226
PNG
(US10618897, Example 79)
Show SMILES CN1CCN(CC1(C)C)C(=O)CN1C(=O)C2(CCN(CC2)C(=O)c2ccc3[nH]ncc3c2)c2c1cccc2Br
Show InChI InChI=1S/C29H33BrN6O3/c1-28(2)18-35(14-13-33(28)3)24(37)17-36-23-6-4-5-21(30)25(23)29(27(36)39)9-11-34(12-10-29)26(38)19-7-8-22-20(15-19)16-31-32-22/h4-8,15-16H,9-14,17-18H2,1-3H3,(H,31,32)
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n/an/a 117n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438227
PNG
(US10618897, Example 80)
Show SMILES COc1ccc2N(CC(=O)N3CCC[C@H]3C(F)(F)F)C(=O)C3(CCN(CC3)C(=O)c3ccc4[nH]ncc4c3)c2n1
PDB

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n/an/a 120n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438333
PNG
(US10618897, Example 154)
Show SMILES CN(C)[C@@H]1CN(C[C@@H]1F)C(=O)CN1C(=O)C2(CCN(CC2)C(=O)c2ccc3[nH]ncc3n2)c2c1ccc(F)c2Cl
PDB

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n/an/a 120n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438138
PNG
(US10618897, Example 9)
Show SMILES COc1cccc2N(CC(=O)NCC(F)(F)F)C(=O)C3(CCN(CC3)C(=O)c3cnc4[nH]ncc4c3)c12
Show InChI InChI=1S/C24H23F3N6O4/c1-37-17-4-2-3-16-19(17)23(22(36)33(16)12-18(34)29-13-24(25,26)27)5-7-32(8-6-23)21(35)15-9-14-11-30-31-20(14)28-10-15/h2-4,9-11H,5-8,12-13H2,1H3,(H,29,34)(H,28,30,31)
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n/an/a 121n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438181
PNG
(US10618897, Example 42)
Show SMILES Cc1cccc2N(CC(=O)N3CCC(C)(F)C3)C(=O)C3(CCN(CC3)C(=O)c3ccc4[nH]ncc4c3)c12
PDB

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n/an/a 123n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438167
PNG
(US10618897, Example 28)
Show SMILES C[C@H]1CN(C[C@@H](C)O1)C(=O)CN1C(=O)C2(CCN(CC2)C(=O)c2ccc3[nH]ncc3c2)c2c1cccc2C
PDB

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n/an/a 130n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438154
PNG
(US10618897, Example 22)
Show SMILES FC(F)(F)CNC(=O)CN1C(=O)C2(CCN(CC2)C(=O)c2cc3cn[nH]c3cn2)c2c1cccc2Br
Show InChI InChI=1S/C23H20BrF3N6O3/c24-14-2-1-3-17-19(14)22(21(36)33(17)11-18(34)29-12-23(25,26)27)4-6-32(7-5-22)20(35)15-8-13-9-30-31-16(13)10-28-15/h1-3,8-10H,4-7,11-12H2,(H,29,34)(H,30,31)
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n/an/a 130n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438312
PNG
(US10618897, Example 133)
Show SMILES Brc1cccc2N(CC(=O)N3CCN4CCCC4C3)C(=O)C3(CCN(CC3)C(=O)c3ccc4[nH]ncc4c3)c12
PDB

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n/an/a 130n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438276
PNG
(US10618897, Example 97)
Show SMILES Brc1cccc2N(CC(=O)N3CCCCC3)C(=O)C3(CCN(CC3)C(=O)c3ccc4[nH]ncc4c3)c12
Show InChI InChI=1S/C27H28BrN5O3/c28-20-5-4-6-22-24(20)27(26(36)33(22)17-23(34)31-11-2-1-3-12-31)9-13-32(14-10-27)25(35)18-7-8-21-19(15-18)16-29-30-21/h4-8,15-16H,1-3,9-14,17H2,(H,29,30)
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n/an/a 131n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438287
PNG
(US10618897, Example 108)
Show SMILES Brc1cccc2N(CC(=O)N3CC4CCCN4C(=O)C3)C(=O)C3(CCN(CC3)C(=O)c3ccc4[nH]ncc4c3)c12
PDB

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n/an/a 135n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438159
PNG
(2-[1′-(1H-Indazole-5-carbonyl)-4-methyl-2-ox...)
Show SMILES Cc1cccc2N(CC(=O)NC3(CC3)C(F)(F)F)C(=O)C3(CCN(CC3)C(=O)c3ccc4[nH]ncc4c3)c12
Show InChI InChI=1S/C27H26F3N5O3/c1-16-3-2-4-20-22(16)25(24(38)35(20)15-21(36)32-26(7-8-26)27(28,29)30)9-11-34(12-10-25)23(37)17-5-6-19-18(13-17)14-31-33-19/h2-6,13-14H,7-12,15H2,1H3,(H,31,33)(H,32,36)
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n/an/a 137n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438133
PNG
(2-[4-Fluoro-2-oxo-1′-(1H-pyrazolo[3,4-b]pyri...)
Show SMILES Fc1cccc2N(CC(=O)NCC(F)(F)F)C(=O)C3(CCN(CC3)C(=O)c3cnc4[nH]ncc4c3)c12
Show InChI InChI=1S/C23H20F4N6O3/c24-15-2-1-3-16-18(15)22(21(36)33(16)11-17(34)29-12-23(25,26)27)4-6-32(7-5-22)20(35)14-8-13-10-30-31-19(13)28-9-14/h1-3,8-10H,4-7,11-12H2,(H,29,34)(H,28,30,31)
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n/an/a 154n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438196
PNG
(US10618897, Example 56)
Show SMILES Cc1cccc2N(CC(=O)NC3CCCCC3(F)F)C(=O)C3(CCN(CC3)C(=O)c3ccc4[nH]ncc4c3)c12
PDB

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n/an/a 159n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438329
PNG
(US10618897, Example 150 | US10618897, Example 151)
Show SMILES FC(F)(F)CNC(=O)C(CN1CCOCC1)N1C(=O)C2(CCN(CC2)C(=O)c2cnc3[nH]ncc3c2)c2c1cccc2Cl
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n/an/a 161n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438307
PNG
(US10618897, Example 128)
Show SMILES FC(F)(F)CNC(=O)C(CN1CCOCC1)N1C(=O)C2(CCN(CC2)C(=O)c2cnc3[nH]ncc3c2)c2c1cccc2Cl
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n/an/a 171n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438192
PNG
(US10618897, Example 52)
Show SMILES Cc1cccc2N(CC(=O)N3CCC[C@H]3C(F)(F)F)C(=O)C3(CCN(CC3)C(=O)c3cc4cn[nH]c4cn3)c12
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n/an/a 204n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438283
PNG
(US10618897, Example 104 | US10618897, Example 105)
Show SMILES FC(F)(F)CN1CCCC(N2C(=O)C3(CCN(CC3)C(=O)c3cnc4[nH]ncc4c3)c3c2cccc3Cl)C1=O
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n/an/a 212n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438161
PNG
(US10618897, Example 26)
Show SMILES Cc1cccc2N(CC(=O)NC(C)(C)C)C(=O)C3(CCN(CC3)C(=O)c3ccc4[nH]ncc4c3)c12
Show InChI InChI=1S/C27H31N5O3/c1-17-6-5-7-21-23(17)27(25(35)32(21)16-22(33)29-26(2,3)4)10-12-31(13-11-27)24(34)18-8-9-20-19(14-18)15-28-30-20/h5-9,14-15H,10-13,16H2,1-4H3,(H,28,30)(H,29,33)
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n/an/a 222n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438329
PNG
(US10618897, Example 150 | US10618897, Example 151)
Show SMILES FC(F)(F)CNC(=O)C(CN1CCOCC1)N1C(=O)C2(CCN(CC2)C(=O)c2cnc3[nH]ncc3c2)c2c1cccc2Cl
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n/an/a 227n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438149
PNG
(US10618897, Example 18)
Show SMILES FC(F)(F)CNC(=O)CN1C(=O)C2(CCN(CC2)C(=O)c2cnc3[nH]ncc3c2)c2cc(Cl)ccc12
Show InChI InChI=1S/C23H20ClF3N6O3/c24-15-1-2-17-16(8-15)22(21(36)33(17)11-18(34)29-12-23(25,26)27)3-5-32(6-4-22)20(35)14-7-13-10-30-31-19(13)28-9-14/h1-2,7-10H,3-6,11-12H2,(H,29,34)(H,28,30,31)
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n/an/a 258n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438184
PNG
((S)-Methyl 4,4-difluoro-1-(2-(4-methyl-2-oxo-1R...)
Show SMILES COC(=O)[C@@H]1CC(F)(F)CN1C(=O)CN1C(=O)C2(CCN(CC2)C(=O)c2cnc3[nH]ncc3c2)c2c1cccc2C
PDB

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n/an/a 261n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438145
PNG
(US10618897, Example 14)
Show SMILES Cc1cccc2N(CC(=O)NCC(F)(F)F)C(=O)C3(CCN(CC3)C(=O)c3cnc4[nH]ncc4c3)c12
Show InChI InChI=1S/C24H23F3N6O3/c1-14-3-2-4-17-19(14)23(22(36)33(17)12-18(34)29-13-24(25,26)27)5-7-32(8-6-23)21(35)16-9-15-11-30-31-20(15)28-10-16/h2-4,9-11H,5-8,12-13H2,1H3,(H,29,34)(H,28,30,31)
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n/an/a 261n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438340
PNG
(Methyl 5-[4-chloro-5-fluoro-2-oxo-1-[2-oxo-2-(2,2,...)
Show SMILES COC(=O)c1n[nH]c2ccc(cc12)C(=O)N1CCC2(CC1)C(=O)N(CC(=O)NCC(F)(F)F)c1ccc(F)c(Cl)c21
Show InChI InChI=1S/C26H22ClF4N5O5/c1-41-23(39)21-14-10-13(2-4-16(14)33-34-21)22(38)35-8-6-25(7-9-35)19-17(5-3-15(28)20(19)27)36(24(25)40)11-18(37)32-12-26(29,30)31/h2-5,10H,6-9,11-12H2,1H3,(H,32,37)(H,33,34)
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n/an/a 264n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438191
PNG
(US10618897, Example 51)
Show SMILES Cc1cccc2N(CC(=O)NC(C)(C)C#N)C(=O)C3(CCN(CC3)C(=O)c3ccc4[nH]ncc4c3)c12
Show InChI InChI=1S/C27H28N6O3/c1-17-5-4-6-21-23(17)27(25(36)33(21)15-22(34)30-26(2,3)16-28)9-11-32(12-10-27)24(35)18-7-8-20-19(13-18)14-29-31-20/h4-8,13-14H,9-12,15H2,1-3H3,(H,29,31)(H,30,34)
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n/an/a 279n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438211
PNG
(US10618897, Example 70)
Show SMILES FC1(F)CCN(C1)C(=O)CN1C(=O)C2(CCN(CC2)C(=O)c2cc3cn[nH]c3cn2)c2c1cccc2Br
Show InChI InChI=1S/C25H23BrF2N6O3/c26-16-2-1-3-19-21(16)24(23(37)34(19)13-20(35)33-9-6-25(27,28)14-33)4-7-32(8-5-24)22(36)17-10-15-11-30-31-18(15)12-29-17/h1-3,10-12H,4-9,13-14H2,(H,30,31)
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n/an/a 288n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438217
PNG
(US10618897, Example 74)
Show SMILES Brc1cccc2N(CC(=O)N3C4CCC3COC4)C(=O)C3(CCN(CC3)C(=O)c3ccc4[nH]ncc4n3)c12
PDB

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n/an/a 312n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438201
PNG
(US10618897, Example 61)
Show SMILES Brc1cccc2N(CC(=O)N3C4CCC3COC4)C(=O)C3(CCN(CC3)C(=O)c3ccc4[nH]ncc4c3)c12
PDB

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n/an/a 388n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438168
PNG
(US10618897, Example 29)
Show SMILES CN(C(=O)CN1C(=O)C2(CCN(CC2)C(=O)c2ccc3[nH]ncc3c2)c2c1cccc2C)C(C)(C)C
Show InChI InChI=1S/C28H33N5O3/c1-18-7-6-8-22-24(18)28(26(36)33(22)17-23(34)31(5)27(2,3)4)11-13-32(14-12-28)25(35)19-9-10-21-20(15-19)16-29-30-21/h6-10,15-16H,11-14,17H2,1-5H3,(H,29,30)
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n/an/a 398n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438129
PNG
(2-{1′-[(1H-Indazol-5-yl)carbonyl]-2-oxo-1,2-...)
Show SMILES FC(F)(F)CNC(=O)CN1C(=O)C2(CCN(CC2)C(=O)c2ccc3[nH]ncc3c2)c2ccccc12
Show InChI InChI=1S/C24H22F3N5O3/c25-24(26,27)14-28-20(33)13-32-19-4-2-1-3-17(19)23(22(32)35)7-9-31(10-8-23)21(34)15-5-6-18-16(11-15)12-29-30-18/h1-6,11-12H,7-10,13-14H2,(H,28,33)(H,29,30)
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n/an/a 408n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438134
PNG
(2-[1-(1H-Indazole-5-carbonyl)-5′-methoxy-2&#...)
Show SMILES COc1ccc2N(CC(=O)NCC(F)(F)F)C(=O)C3(CCN(CC3)C(=O)c3ccc4[nH]ncc4c3)c2n1
Show InChI InChI=1S/C24H23F3N6O4/c1-37-19-5-4-17-20(30-19)23(22(36)33(17)12-18(34)28-13-24(25,26)27)6-8-32(9-7-23)21(35)14-2-3-16-15(10-14)11-29-31-16/h2-5,10-11H,6-9,12-13H2,1H3,(H,28,34)(H,29,31)
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n/an/a 410n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438178
PNG
(US10618897, Example 39)
Show SMILES Cc1cccc2N(CC(=O)N3CC(O)C(C)(C)C3)C(=O)C3(CCN(CC3)C(=O)c3ccc4[nH]ncc4c3)c12
PDB

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n/an/a 411n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438268
PNG
(US10618897, Example 91)
Show SMILES C[C@@H](N(C)C(=O)CN1C(=O)C2(CCN(CC2)C(=O)c2ccc3[nH]ncc3c2)c2c1cccc2C)C(F)(F)F
PDB

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n/an/a 431n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438141
PNG
(Methyl 2-oxo-1-(2-oxo-2-((2,2,2-trifluoroethyl)ami...)
Show SMILES COC(=O)c1cccc2N(CC(=O)NCC(F)(F)F)C(=O)C3(CCN(CC3)C(=O)c3cnc4[nH]ncc4c3)c12
Show InChI InChI=1S/C25H23F3N6O5/c1-39-22(37)16-3-2-4-17-19(16)24(23(38)34(17)12-18(35)30-13-25(26,27)28)5-7-33(8-6-24)21(36)15-9-14-11-31-32-20(14)29-10-15/h2-4,9-11H,5-8,12-13H2,1H3,(H,30,35)(H,29,31,32)
PDB

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n/an/a 432n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438151
PNG
(US10618897, Example 20)
Show SMILES Fc1ccc(Br)c2c1N(CC(=O)NCC(F)(F)F)C(=O)C21CCN(CC1)C(=O)c1cnc2[nH]ncc2c1
Show InChI InChI=1S/C23H19BrF4N6O3/c24-14-1-2-15(25)18-17(14)22(21(37)34(18)10-16(35)30-11-23(26,27)28)3-5-33(6-4-22)20(36)13-7-12-9-31-32-19(12)29-8-13/h1-2,7-9H,3-6,10-11H2,(H,30,35)(H,29,31,32)
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n/an/a 432n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438194
PNG
(US10618897, Example 54)
Show SMILES Cc1cccc2N(CC(=O)NC3CCc4ccccc34)C(=O)C3(CCN(CC3)C(=O)c3ccc4[nH]ncc4c3)c12
PDB

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n/an/a 450n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438146
PNG
(US10618897, Example 15)
Show SMILES COC(=O)c1cccc2N(CC(=O)NCC(F)(F)F)C(=O)C3(CCN(CC3)C(=O)c3ccc4[nH]ncc4c3)c12
Show InChI InChI=1S/C26H24F3N5O5/c1-39-23(37)17-3-2-4-19-21(17)25(24(38)34(19)13-20(35)30-14-26(27,28)29)7-9-33(10-8-25)22(36)15-5-6-18-16(11-15)12-31-32-18/h2-6,11-12H,7-10,13-14H2,1H3,(H,30,35)(H,31,32)
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n/an/a 468n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438265
PNG
(US10618897, Example 89)
Show SMILES CCOc1cccc2N(CC(=O)NCC(F)(F)F)C(=O)C3(CCN(CC3)C(=O)c3ccc4[nH]ncc4c3)c12
Show InChI InChI=1S/C26H26F3N5O4/c1-2-38-20-5-3-4-19-22(20)25(24(37)34(19)14-21(35)30-15-26(27,28)29)8-10-33(11-9-25)23(36)16-6-7-18-17(12-16)13-31-32-18/h3-7,12-13H,2,8-11,14-15H2,1H3,(H,30,35)(H,31,32)
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n/an/a 512n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438179
PNG
(US10618897, Example 40)
Show SMILES Cc1cccc2N(CC(=O)N3CC(O)C(F)(F)C3)C(=O)C3(CCN(CC3)C(=O)c3ccc4[nH]ncc4c3)c12
PDB

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n/an/a 528n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438169
PNG
(US10618897, Example 30)
Show SMILES C[C@@H](NC(=O)CN1C(=O)C2(CCN(CC2)C(=O)c2ccc3[nH]ncc3c2)c2c1cccc2C)C(F)(F)F
PDB

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n/an/a 597n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438195
PNG
(US10618897, Example 55)
Show SMILES Cc1cccc2N(CC(=O)NC3CCCc4ccccc34)C(=O)C3(CCN(CC3)C(=O)c3ccc4[nH]ncc4c3)c12
PDB

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n/an/a 620n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438345
PNG
(US10618897, Example 166 | US10618897, Example 167)
Show SMILES FC(F)(F)CNC(=O)CN1C(=O)C2(CCN(C2)C(=O)c2ccc3[nH]ncc3c2)c2c1cccc2Cl
PDB

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n/an/a 799n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438197
PNG
(US10618897, Example 57)
Show SMILES Cc1cccc2N(CC(=O)N3CCC(C3)C#N)C(=O)C3(CCN(CC3)C(=O)c3ccc4[nH]ncc4c3)c12
PDB

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n/an/a 878n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438270
PNG
(US10618897, Example 93)
Show SMILES Oc1cccc2N(CC(=O)NCC(F)(F)F)C(=O)C3(CCN(CC3)C(=O)c3ccc4[nH]ncc4c3)c12
Show InChI InChI=1S/C24H22F3N5O4/c25-24(26,27)13-28-19(34)12-32-17-2-1-3-18(33)20(17)23(22(32)36)6-8-31(9-7-23)21(35)14-4-5-16-15(10-14)11-29-30-16/h1-5,10-11,33H,6-9,12-13H2,(H,28,34)(H,29,30)
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n/an/a 964n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438269
PNG
(US10618897, Example 92)
Show SMILES Cc1cccc2N(CCC(=O)NCC(F)(F)F)C(=O)C3(CCN(CC3)C(=O)c3ccc4[nH]ncc4c3)c12
Show InChI InChI=1S/C26H26F3N5O3/c1-16-3-2-4-20-22(16)25(24(37)34(20)10-7-21(35)30-15-26(27,28)29)8-11-33(12-9-25)23(36)17-5-6-19-18(13-17)14-31-32-19/h2-6,13-14H,7-12,15H2,1H3,(H,30,35)(H,31,32)
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n/an/a 1.12E+3n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438137
PNG
(US10618897, Example 8)
Show SMILES Fc1ccc2N(CC(=O)NCC(F)(F)F)C(=O)C3(CCN(CC3)C(=O)c3cnc4[nH]ncc4c3)c2c1
Show InChI InChI=1S/C23H20F4N6O3/c24-15-1-2-17-16(8-15)22(21(36)33(17)11-18(34)29-12-23(25,26)27)3-5-32(6-4-22)20(35)14-7-13-10-30-31-19(13)28-9-14/h1-2,7-10H,3-6,11-12H2,(H,29,34)(H,28,30,31)
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n/an/a 1.12E+3n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438177
PNG
(US10618897, Example 38)
Show SMILES FC(F)(F)CNC(=O)CN1C(=O)C2(CCN(CC2)C(=O)c2cnc3[nH]ncc3c2)c2c1cccc2C(F)(F)F
Show InChI InChI=1S/C24H20F6N6O3/c25-23(26,27)12-32-17(37)11-36-16-3-1-2-15(24(28,29)30)18(16)22(21(36)39)4-6-35(7-5-22)20(38)14-8-13-10-33-34-19(13)31-9-14/h1-3,8-10H,4-7,11-12H2,(H,32,37)(H,31,33,34)
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n/an/a 1.35E+3n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438136
PNG
(2-[5-Bromo-2-oxo-1′-(1H-pyrazolo[3,4-b]pyrid...)
Show SMILES FC(F)(F)CNC(=O)CN1C(=O)C2(CCN(CC2)C(=O)c2cnc3[nH]ncc3c2)c2cc(Br)ccc12
Show InChI InChI=1S/C23H20BrF3N6O3/c24-15-1-2-17-16(8-15)22(21(36)33(17)11-18(34)29-12-23(25,26)27)3-5-32(6-4-22)20(35)14-7-13-10-30-31-19(13)28-9-14/h1-2,7-10H,3-6,11-12H2,(H,29,34)(H,28,30,31)
PDB

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n/an/a 1.59E+3n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438199
PNG
(US10618897, Example 59)
Show SMILES FC(F)(F)CNC(=O)CN1C(=O)C2(CCN(CC2)C(=O)c2ccc3[nH]ncc3c2)c2c1cccc2C1CC1
Show InChI InChI=1S/C27H26F3N5O3/c28-27(29,30)15-31-22(36)14-35-21-3-1-2-19(16-4-5-16)23(21)26(25(35)38)8-10-34(11-9-26)24(37)17-6-7-20-18(12-17)13-32-33-20/h1-3,6-7,12-13,16H,4-5,8-11,14-15H2,(H,31,36)(H,32,33)
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n/an/a 2.16E+3n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438188
PNG
(US10618897, Example 48)
Show SMILES Cc1cccc2N(CC(=O)NC3(C)COC3)C(=O)C3(CCN(CC3)C(=O)c3ccc4[nH]ncc4c3)c12
Show InChI InChI=1S/C27H29N5O4/c1-17-4-3-5-21-23(17)27(25(35)32(21)14-22(33)29-26(2)15-36-16-26)8-10-31(11-9-27)24(34)18-6-7-20-19(12-18)13-28-30-20/h3-7,12-13H,8-11,14-16H2,1-2H3,(H,28,30)(H,29,33)
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n/an/a 2.20E+3n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438343
PNG
(US10618897, Example 164)
Show SMILES FC(F)(F)CNC(=O)CN1C(=O)C2(CCN(C2)C(=O)c2ccc3[nH]ncc3c2)c2c1cccc2Cl
PDB

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n/an/a 2.34E+3n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438319
PNG
(US10618897, Example 140)
Show SMILES NC(=O)c1n[nH]c2ccc(cc12)C(=O)N1CCC2(CC1)C(=O)N(CC(=O)NCC(F)(F)F)c1cccc(Cl)c21
Show InChI InChI=1S/C25H22ClF3N6O4/c26-15-2-1-3-17-19(15)24(23(39)35(17)11-18(36)31-12-25(27,28)29)6-8-34(9-7-24)22(38)13-4-5-16-14(10-13)20(21(30)37)33-32-16/h1-5,10H,6-9,11-12H2,(H2,30,37)(H,31,36)(H,32,33)
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n/an/a 2.74E+3n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438344
PNG
(US10618897, Example 165)
Show SMILES FC(F)(F)CNC(=O)CN1C(=O)C2(CCN(C2)C(=O)c2ccc3[nH]ncc3n2)c2c1cccc2Cl
PDB

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n/an/a 2.95E+3n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438150
PNG
(US10618897, Example 19)
Show SMILES Fc1ccc2c(c1)N(CC(=O)NCC(F)(F)F)C(=O)C21CCN(CC1)C(=O)c1cnc2[nH]ncc2c1
Show InChI InChI=1S/C23H20F4N6O3/c24-15-1-2-16-17(8-15)33(11-18(34)29-12-23(25,26)27)21(36)22(16)3-5-32(6-4-22)20(35)14-7-13-10-30-31-19(13)28-9-14/h1-2,7-10H,3-6,11-12H2,(H,29,34)(H,28,30,31)
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n/an/a 2.96E+3n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438162
PNG
(US10618897, Example 27)
Show SMILES Cc1cccc2N(CC(=O)NC(C)(C)CO)C(=O)C3(CCN(CC3)C(=O)c3ccc4[nH]ncc4c3)c12
Show InChI InChI=1S/C27H31N5O4/c1-17-5-4-6-21-23(17)27(25(36)32(21)15-22(34)29-26(2,3)16-33)9-11-31(12-10-27)24(35)18-7-8-20-19(13-18)14-28-30-20/h4-8,13-14,33H,9-12,15-16H2,1-3H3,(H,28,30)(H,29,34)
PDB

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n/an/a 2.99E+3n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438342
PNG
(US10618897, Example 163)
Show SMILES FC(F)(F)CNC(=O)CN1C(=O)C2(CCN(C2)C(=O)c2cnc3[nH]ncc3c2)c2c1cccc2Cl
PDB

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n/an/a 3.02E+3n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438222
PNG
(US10618897, Example 77)
Show SMILES Brc1cccc2N(CC(=O)N3C4CCC3COC4)C(=O)C3(CCN(CC3)C(=O)c3cnc4[nH]ncc4c3)c12
PDB

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n/an/a 3.10E+3n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438283
PNG
(US10618897, Example 104 | US10618897, Example 105)
Show SMILES FC(F)(F)CN1CCCC(N2C(=O)C3(CCN(CC3)C(=O)c3cnc4[nH]ncc4c3)c3c2cccc3Cl)C1=O
PDB

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n/an/a 3.43E+3n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438142
PNG
(US10618897, Example 12)
Show SMILES CCc1cccc2N(CC(=O)NCC(F)(F)F)C(=O)C3(CCN(CC3)C(=O)c3cnc4[nH]ncc4c3)c12
Show InChI InChI=1S/C25H25F3N6O3/c1-2-15-4-3-5-18-20(15)24(23(37)34(18)13-19(35)30-14-25(26,27)28)6-8-33(9-7-24)22(36)17-10-16-12-31-32-21(16)29-11-17/h3-5,10-12H,2,6-9,13-14H2,1H3,(H,30,35)(H,29,31,32)
PDB

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n/an/a 4.36E+3n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438193
PNG
(2-[4-(Hydroxymethyl)-1′-(1H-indazole-5-carbo...)
Show SMILES OCc1cccc2N(CC(=O)NCC(F)(F)F)C(=O)C3(CCN(CC3)C(=O)c3ccc4[nH]ncc4c3)c12
Show InChI InChI=1S/C25H24F3N5O4/c26-25(27,28)14-29-20(35)12-33-19-3-1-2-16(13-34)21(19)24(23(33)37)6-8-32(9-7-24)22(36)15-4-5-18-17(10-15)11-30-31-18/h1-5,10-11,34H,6-9,12-14H2,(H,29,35)(H,30,31)
PDB

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n/an/a 4.50E+3n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM438345
PNG
(US10618897, Example 166 | US10618897, Example 167)
Show SMILES FC(F)(F)CNC(=O)CN1C(=O)C2(CCN(C2)C(=O)c2ccc3[nH]ncc3c2)c2c1cccc2Cl
PDB

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n/an/a 4.76E+4n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition ...


US Patent US10618897 (2020)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%