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Compile Data Set for Download or QSAR

Found 191 hits with Last Name = 'bartual' and Initial = 'sg'   
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))		BDBM50260041
PNG
(CHEMBL4097012)
Show SMILES C[C@H]1CN(Cc2cc(ccc12)C(=O)Nc1cc(CN2CCCN(C)CC2)cc(c1)C(F)(F)F)c1cncnc1 |r|
Show InChI InChI=1S/C29H33F3N6O/c1-20-16-38(26-14-33-19-34-15-26)18-23-12-22(4-5-27(20)23)28(39)35-25-11-21(10-24(13-25)29(30,31)32)17-37-7-3-6-36(2)8-9-37/h4-5,10-15,19-20H,3,6-9,16-18H2,1-2H3,(H,35,39)/t20-/m0/s1
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n/an/a 6.60n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged DDR1 catalytic domain expressed in baculovirus expression system using Fluorescein-Poly GAT as substrate m...

ACS Med Chem Lett 8: 327-332 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00497
BindingDB Entry DOI: 10.7270/Q2N0190M
More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))		BDBM50528539
PNG
(CHEMBL4553037)
Show SMILES C[C@H]1CN(Cc2cc(ccc12)C(=O)Nc1cc(cc(c1)C(F)(F)F)-n1cnc(C)c1)c1cncnc1 |r|
Show InChI InChI=1S/C26H23F3N6O/c1-16-11-34(23-9-30-14-31-10-23)13-19-5-18(3-4-24(16)19)25(36)33-21-6-20(26(27,28)29)7-22(8-21)35-12-17(2)32-15-35/h3-10,12,14-16H,11,13H2,1-2H3,(H,33,36)/t16-/m0/s1
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n/an/a 9.40n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged DDR1 (440 to 876 residues) expressed in baculovirus infected Sf9 insect cells using fluorescein-poly GAT a...

J Med Chem 59: 5911-6 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00140
BindingDB Entry DOI: 10.7270/Q20G3PMX
More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))		BDBM50528539
PNG
(CHEMBL4553037)
Show SMILES C[C@H]1CN(Cc2cc(ccc12)C(=O)Nc1cc(cc(c1)C(F)(F)F)-n1cnc(C)c1)c1cncnc1 |r|
Show InChI InChI=1S/C26H23F3N6O/c1-16-11-34(23-9-30-14-31-10-23)13-19-5-18(3-4-24(16)19)25(36)33-21-6-20(26(27,28)29)7-22(8-21)35-12-17(2)32-15-35/h3-10,12,14-16H,11,13H2,1-2H3,(H,33,36)/t16-/m0/s1
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n/an/a 9.40n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged DDR1 (440 to 876 residues) expressed in baculovirus infected Sf9 insect cells using fluorescein-poly GAT a...

J Med Chem 59: 5911-6 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00140
BindingDB Entry DOI: 10.7270/Q20G3PMX
More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))		BDBM50260009
PNG
(CHEMBL4077561)
Show SMILES CCc1ccc(cc1C#Cc1ccc2ccnn2c1)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C31H30F3N5O/c1-3-24-7-8-26(18-25(24)6-4-22-5-9-29-10-11-35-39(29)21-22)30(40)36-28-17-23(16-27(19-28)31(32,33)34)20-38-14-12-37(2)13-15-38/h5,7-11,16-19,21H,3,12-15,20H2,1-2H3,(H,36,40)
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n/an/a 13n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged DDR1 catalytic domain expressed in baculovirus expression system using Fluorescein-Poly GAT as substrate m...

ACS Med Chem Lett 8: 327-332 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00497
BindingDB Entry DOI: 10.7270/Q2N0190M
More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))		BDBM50260014
PNG
(CHEMBL4088784)
Show SMILES CC1CN(Cc2cc(ccc12)C(=O)Nc1ccc(CN2CCN(C)CC2)c(c1)C(F)(F)F)c1cncnc1
Show InChI InChI=1S/C28H31F3N6O/c1-19-15-37(24-13-32-18-33-14-24)17-22-11-20(4-6-25(19)22)27(38)34-23-5-3-21(26(12-23)28(29,30)31)16-36-9-7-35(2)8-10-36/h3-6,11-14,18-19H,7-10,15-17H2,1-2H3,(H,34,38)
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n/an/a 20n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged DDR1 catalytic domain expressed in baculovirus expression system using Fluorescein-Poly GAT as substrate m...

ACS Med Chem Lett 8: 327-332 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00497
BindingDB Entry DOI: 10.7270/Q2N0190M
More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))		BDBM50260033
PNG
(CHEMBL4066114 | US10370360, Example 38)
Show SMILES C[C@H]1CN(Cc2cc(ccc12)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F)c1cncnc1 |r|
Show InChI InChI=1S/C28H31F3N6O/c1-19-15-37(25-13-32-18-33-14-25)17-22-11-21(3-4-26(19)22)27(38)34-24-10-20(9-23(12-24)28(29,30)31)16-36-7-5-35(2)6-8-36/h3-4,9-14,18-19H,5-8,15-17H2,1-2H3,(H,34,38)/t19-/m0/s1
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n/an/a 24n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged DDR1 (440 to 876 residues) expressed in baculovirus infected Sf9 insect cells using fluorescein-poly GAT a...

J Med Chem 59: 5911-6 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00140
BindingDB Entry DOI: 10.7270/Q20G3PMX
More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))		BDBM50260033
PNG
(CHEMBL4066114 | US10370360, Example 38)
Show SMILES C[C@H]1CN(Cc2cc(ccc12)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F)c1cncnc1 |r|
Show InChI InChI=1S/C28H31F3N6O/c1-19-15-37(25-13-32-18-33-14-25)17-22-11-21(3-4-26(19)22)27(38)34-24-10-20(9-23(12-24)28(29,30)31)16-36-7-5-35(2)6-8-36/h3-4,9-14,18-19H,5-8,15-17H2,1-2H3,(H,34,38)/t19-/m0/s1
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n/an/a 24n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged DDR1 (440 to 876 residues) expressed in baculovirus infected Sf9 insect cells using fluorescein-poly GAT a...

J Med Chem 59: 5911-6 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00140
BindingDB Entry DOI: 10.7270/Q20G3PMX
More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))		BDBM50260022
PNG
(CHEMBL4075510)
Show SMILES CC1CN(Cc2cc(ccc12)C(=O)Nc1cc(CN2CCCN(C)CC2)cc(c1)C(F)(F)F)c1cncnc1
Show InChI InChI=1S/C29H33F3N6O/c1-20-16-38(26-14-33-19-34-15-26)18-23-12-22(4-5-27(20)23)28(39)35-25-11-21(10-24(13-25)29(30,31)32)17-37-7-3-6-36(2)8-9-37/h4-5,10-15,19-20H,3,6-9,16-18H2,1-2H3,(H,35,39)
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n/an/a 26n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged DDR1 catalytic domain expressed in baculovirus expression system using Fluorescein-Poly GAT as substrate m...

ACS Med Chem Lett 8: 327-332 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00497
BindingDB Entry DOI: 10.7270/Q2N0190M
More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))		BDBM50532322
PNG
(CHEMBL4435100)
Show SMILES CC[C@H]1CN(Cc2cc(ccc12)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F)c1cncnc1 |r|
Show InChI InChI=1S/C29H33F3N6O/c1-3-21-17-38(26-14-33-19-34-15-26)18-23-12-22(4-5-27(21)23)28(39)35-25-11-20(10-24(13-25)29(30,31)32)16-37-8-6-36(2)7-9-37/h4-5,10-15,19,21H,3,6-9,16-18H2,1-2H3,(H,35,39)/t21-/m0/s1
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n/an/a 36n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged DDR1 (440 to 876 residues) expressed in baculovirus infected Sf9 insect cells using fluorescein-poly GAT a...

J Med Chem 59: 5911-6 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00140
BindingDB Entry DOI: 10.7270/Q20G3PMX
More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))		BDBM50532322
PNG
(CHEMBL4435100)
Show SMILES CC[C@H]1CN(Cc2cc(ccc12)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F)c1cncnc1 |r|
Show InChI InChI=1S/C29H33F3N6O/c1-3-21-17-38(26-14-33-19-34-15-26)18-23-12-22(4-5-27(21)23)28(39)35-25-11-20(10-24(13-25)29(30,31)32)16-37-8-6-36(2)7-9-37/h4-5,10-15,19,21H,3,6-9,16-18H2,1-2H3,(H,35,39)/t21-/m0/s1
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n/an/a 36n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged DDR1 (440 to 876 residues) expressed in baculovirus infected Sf9 insect cells using fluorescein-poly GAT a...

J Med Chem 59: 5911-6 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00140
BindingDB Entry DOI: 10.7270/Q20G3PMX
More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))		BDBM50260025
PNG
(CHEMBL4087485)
Show SMILES CC1CN(Cc2cc(ccc12)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F)c1cncnc1
Show InChI InChI=1S/C28H31F3N6O/c1-19-15-37(25-13-32-18-33-14-25)17-22-11-21(3-4-26(19)22)27(38)34-24-10-20(9-23(12-24)28(29,30)31)16-36-7-5-35(2)6-8-36/h3-4,9-14,18-19H,5-8,15-17H2,1-2H3,(H,34,38)
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n/an/a 38n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged DDR1 catalytic domain expressed in baculovirus expression system using Fluorescein-Poly GAT as substrate m...

ACS Med Chem Lett 8: 327-332 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00497
BindingDB Entry DOI: 10.7270/Q2N0190M
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))		BDBM50260013
PNG
(CHEMBL4070502)
Show SMILES CC1CN(Cc2cc(ccc12)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)-c1ccccc1)c1cncnc1
Show InChI InChI=1S/C33H36N6O/c1-24-20-39(31-18-34-23-35-19-31)22-29-16-27(8-9-32(24)29)33(40)36-30-15-25(21-38-12-10-37(2)11-13-38)14-28(17-30)26-6-4-3-5-7-26/h3-9,14-19,23-24H,10-13,20-22H2,1-2H3,(H,36,40)
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n/an/a 45n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged DDR1 catalytic domain expressed in baculovirus expression system using Fluorescein-Poly GAT as substrate m...

ACS Med Chem Lett 8: 327-332 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00497
BindingDB Entry DOI: 10.7270/Q2N0190M
More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))		BDBM50260012
PNG
(CHEMBL4091837)
Show SMILES CC(C)c1cc(CN2CCN(C)CC2)cc(NC(=O)c2ccc3C(C)CN(Cc3c2)c2cncnc2)c1
Show InChI InChI=1S/C30H38N6O/c1-21(2)25-11-23(18-35-9-7-34(4)8-10-35)12-27(14-25)33-30(37)24-5-6-29-22(3)17-36(19-26(29)13-24)28-15-31-20-32-16-28/h5-6,11-16,20-22H,7-10,17-19H2,1-4H3,(H,33,37)
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n/an/a 50n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged DDR1 catalytic domain expressed in baculovirus expression system using Fluorescein-Poly GAT as substrate m...

ACS Med Chem Lett 8: 327-332 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00497
BindingDB Entry DOI: 10.7270/Q2N0190M
More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))		BDBM50260032
PNG
(CHEMBL4064078)
Show SMILES CCc1cc(CN2CCN(C)CC2)cc(NC(=O)c2ccc3C(C)CN(Cc3c2)c2cncnc2)c1
Show InChI InChI=1S/C29H36N6O/c1-4-22-11-23(18-34-9-7-33(3)8-10-34)13-26(12-22)32-29(36)24-5-6-28-21(2)17-35(19-25(28)14-24)27-15-30-20-31-16-27/h5-6,11-16,20-21H,4,7-10,17-19H2,1-3H3,(H,32,36)
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n/an/a 51n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged DDR1 catalytic domain expressed in baculovirus expression system using Fluorescein-Poly GAT as substrate m...

ACS Med Chem Lett 8: 327-332 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00497
BindingDB Entry DOI: 10.7270/Q2N0190M
More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))		BDBM50260034
PNG
(CHEMBL4077200)
Show SMILES CC1CN(Cc2cc(ccc12)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(C)(C)C)c1cncnc1
Show InChI InChI=1S/C31H40N6O/c1-22-18-37(28-16-32-21-33-17-28)20-25-14-24(6-7-29(22)25)30(38)34-27-13-23(12-26(15-27)31(2,3)4)19-36-10-8-35(5)9-11-36/h6-7,12-17,21-22H,8-11,18-20H2,1-5H3,(H,34,38)
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n/an/a 67n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged DDR1 catalytic domain expressed in baculovirus expression system using Fluorescein-Poly GAT as substrate m...

ACS Med Chem Lett 8: 327-332 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00497
BindingDB Entry DOI: 10.7270/Q2N0190M
More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))		BDBM50260017
PNG
(CHEMBL4069234)
Show SMILES CCN1CCN(Cc2cc(NC(=O)c3ccc4C(C)CN(Cc4c3)c3cncnc3)cc(c2)C(F)(F)F)CC1
Show InChI InChI=1S/C29H33F3N6O/c1-3-36-6-8-37(9-7-36)17-21-10-24(29(30,31)32)13-25(11-21)35-28(39)22-4-5-27-20(2)16-38(18-23(27)12-22)26-14-33-19-34-15-26/h4-5,10-15,19-20H,3,6-9,16-18H2,1-2H3,(H,35,39)
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n/an/a 71n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged DDR1 catalytic domain expressed in baculovirus expression system using Fluorescein-Poly GAT as substrate m...

ACS Med Chem Lett 8: 327-332 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00497
BindingDB Entry DOI: 10.7270/Q2N0190M
More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))		BDBM50260029
PNG
(CHEMBL4088388 | US10370360, Example 40)
Show SMILES C[C@H]1CN(Cc2cc(NC(=O)c3cc(CN4CCN(C)CC4)cc(c3)C(F)(F)F)ccc12)c1cncnc1 |r|
Show InChI InChI=1S/C28H31F3N6O/c1-19-15-37(25-13-32-18-33-14-25)17-22-12-24(3-4-26(19)22)34-27(38)21-9-20(10-23(11-21)28(29,30)31)16-36-7-5-35(2)6-8-36/h3-4,9-14,18-19H,5-8,15-17H2,1-2H3,(H,34,38)/t19-/m0/s1
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n/an/a 76n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged DDR1 catalytic domain expressed in baculovirus expression system using Fluorescein-Poly GAT as substrate m...

ACS Med Chem Lett 8: 327-332 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00497
BindingDB Entry DOI: 10.7270/Q2N0190M
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))		BDBM50260015
PNG
(CHEMBL4096896)
Show SMILES CC1CN(Cc2cc(ccc12)C(=O)Nc1cc(CN2CCN(CC2)C2CCCCC2)cc(c1)C(F)(F)F)c1cncnc1
Show InChI InChI=1S/C33H39F3N6O/c1-23-19-42(30-17-37-22-38-18-30)21-26-15-25(7-8-31(23)26)32(43)39-28-14-24(13-27(16-28)33(34,35)36)20-40-9-11-41(12-10-40)29-5-3-2-4-6-29/h7-8,13-18,22-23,29H,2-6,9-12,19-21H2,1H3,(H,39,43)
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n/an/a 80n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged DDR1 catalytic domain expressed in baculovirus expression system using Fluorescein-Poly GAT as substrate m...

ACS Med Chem Lett 8: 327-332 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00497
BindingDB Entry DOI: 10.7270/Q2N0190M
More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))		BDBM50260016
PNG
(CHEMBL4096477)
Show SMILES CC1CN(Cc2cc(ccc12)C(=O)Nc1cc(CCN2CCN(C)CC2)cc(c1)C(F)(F)F)c1cncnc1
Show InChI InChI=1S/C29H33F3N6O/c1-20-17-38(26-15-33-19-34-16-26)18-23-13-22(3-4-27(20)23)28(39)35-25-12-21(11-24(14-25)29(30,31)32)5-6-37-9-7-36(2)8-10-37/h3-4,11-16,19-20H,5-10,17-18H2,1-2H3,(H,35,39)
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n/an/a 81n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged DDR1 catalytic domain expressed in baculovirus expression system using Fluorescein-Poly GAT as substrate m...

ACS Med Chem Lett 8: 327-332 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00497
BindingDB Entry DOI: 10.7270/Q2N0190M
More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))		BDBM50260035
PNG
(CHEMBL4065684)
Show SMILES CC1CN(Cc2cc(ccc12)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C1CC1)c1cncnc1
Show InChI InChI=1S/C30H36N6O/c1-21-17-36(28-15-31-20-32-16-28)19-26-13-24(5-6-29(21)26)30(37)33-27-12-22(11-25(14-27)23-3-4-23)18-35-9-7-34(2)8-10-35/h5-6,11-16,20-21,23H,3-4,7-10,17-19H2,1-2H3,(H,33,37)
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n/an/a 89n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged DDR1 catalytic domain expressed in baculovirus expression system using Fluorescein-Poly GAT as substrate m...

ACS Med Chem Lett 8: 327-332 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00497
BindingDB Entry DOI: 10.7270/Q2N0190M
More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))		BDBM50260040
PNG
(CHEMBL4083149)
Show SMILES CC1CN(Cc2cc(ccc12)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C1CCCCC1)c1cncnc1
Show InChI InChI=1S/C33H42N6O/c1-24-20-39(31-18-34-23-35-19-31)22-29-16-27(8-9-32(24)29)33(40)36-30-15-25(21-38-12-10-37(2)11-13-38)14-28(17-30)26-6-4-3-5-7-26/h8-9,14-19,23-24,26H,3-7,10-13,20-22H2,1-2H3,(H,36,40)
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n/an/a 123n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged DDR1 catalytic domain expressed in baculovirus expression system using Fluorescein-Poly GAT as substrate m...

ACS Med Chem Lett 8: 327-332 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00497
BindingDB Entry DOI: 10.7270/Q2N0190M
More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))		BDBM50260038
PNG
(CHEMBL4060550)
Show SMILES CC1CN(Cc2cc(ccc12)C(=O)Nc1cc(cc(c1)C(F)(F)F)N1CCN(C)CC1)c1cncnc1
Show InChI InChI=1S/C27H29F3N6O/c1-18-15-36(24-13-31-17-32-14-24)16-20-9-19(3-4-25(18)20)26(37)33-22-10-21(27(28,29)30)11-23(12-22)35-7-5-34(2)6-8-35/h3-4,9-14,17-18H,5-8,15-16H2,1-2H3,(H,33,37)
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n/an/a 132n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged DDR1 catalytic domain expressed in baculovirus expression system using Fluorescein-Poly GAT as substrate m...

ACS Med Chem Lett 8: 327-332 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00497
BindingDB Entry DOI: 10.7270/Q2N0190M
More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))		BDBM50260020
PNG
(CHEMBL4087848)
Show SMILES CC1CN(Cc2cc(ccc12)C(=O)Nc1cc(CN2CCCCC2)cc(c1)C(F)(F)F)c1cncnc1
Show InChI InChI=1S/C28H30F3N5O/c1-19-15-36(25-13-32-18-33-14-25)17-22-11-21(5-6-26(19)22)27(37)34-24-10-20(9-23(12-24)28(29,30)31)16-35-7-3-2-4-8-35/h5-6,9-14,18-19H,2-4,7-8,15-17H2,1H3,(H,34,37)
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n/an/a 167n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged DDR1 catalytic domain expressed in baculovirus expression system using Fluorescein-Poly GAT as substrate m...

ACS Med Chem Lett 8: 327-332 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00497
BindingDB Entry DOI: 10.7270/Q2N0190M
More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))		BDBM50260023
PNG
(CHEMBL4059972)
Show SMILES C[C@@H]1CN(Cc2cc(ccc12)C(=O)Nc1cc(CN2CCCN(C)CC2)cc(c1)C(F)(F)F)c1cncnc1 |r|
Show InChI InChI=1S/C29H33F3N6O/c1-20-16-38(26-14-33-19-34-15-26)18-23-12-22(4-5-27(20)23)28(39)35-25-11-21(10-24(13-25)29(30,31)32)17-37-7-3-6-36(2)8-9-37/h4-5,10-15,19-20H,3,6-9,16-18H2,1-2H3,(H,35,39)/t20-/m1/s1
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n/an/a 167n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged DDR1 catalytic domain expressed in baculovirus expression system using Fluorescein-Poly GAT as substrate m...

ACS Med Chem Lett 8: 327-332 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00497
BindingDB Entry DOI: 10.7270/Q2N0190M
More data for this
Ligand-Target Pair
Discoidin domain-containing receptor 2


(Homo sapiens (Human))		BDBM50528539
PNG
(CHEMBL4553037)
Show SMILES C[C@H]1CN(Cc2cc(ccc12)C(=O)Nc1cc(cc(c1)C(F)(F)F)-n1cnc(C)c1)c1cncnc1 |r|
Show InChI InChI=1S/C26H23F3N6O/c1-16-11-34(23-9-30-14-31-10-23)13-19-5-18(3-4-24(16)19)25(36)33-21-6-20(26(27,28)29)7-22(8-21)35-12-17(2)32-15-35/h3-10,12,14-16H,11,13H2,1-2H3,(H,33,36)/t16-/m0/s1
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n/an/a 188n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged DDR2 expressed in baculovirus infected Sf9 insect cells using fluorescein-poly GAT as substrate preincubat...

J Med Chem 59: 5911-6 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00140
BindingDB Entry DOI: 10.7270/Q20G3PMX
More data for this
Ligand-Target Pair
Discoidin domain-containing receptor 2


(Homo sapiens (Human))		BDBM50528539
PNG
(CHEMBL4553037)
Show SMILES C[C@H]1CN(Cc2cc(ccc12)C(=O)Nc1cc(cc(c1)C(F)(F)F)-n1cnc(C)c1)c1cncnc1 |r|
Show InChI InChI=1S/C26H23F3N6O/c1-16-11-34(23-9-30-14-31-10-23)13-19-5-18(3-4-24(16)19)25(36)33-21-6-20(26(27,28)29)7-22(8-21)35-12-17(2)32-15-35/h3-10,12,14-16H,11,13H2,1-2H3,(H,33,36)/t16-/m0/s1
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n/an/a 188n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged DDR2 expressed in baculovirus infected Sf9 insect cells using fluorescein-poly GAT as substrate preincubat...

J Med Chem 59: 5911-6 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00140
BindingDB Entry DOI: 10.7270/Q20G3PMX
More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))		BDBM50260036
PNG
(CHEMBL4085787)
Show SMILES CC1CN(Cc2cc(ccc12)C(=O)Nc1cccc(c1)C(F)(F)F)c1cncnc1
Show InChI InChI=1S/C22H19F3N4O/c1-14-11-29(19-9-26-13-27-10-19)12-16-7-15(5-6-20(14)16)21(30)28-18-4-2-3-17(8-18)22(23,24)25/h2-10,13-14H,11-12H2,1H3,(H,28,30)
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n/an/a 191n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged DDR1 catalytic domain expressed in baculovirus expression system using Fluorescein-Poly GAT as substrate m...

ACS Med Chem Lett 8: 327-332 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00497
BindingDB Entry DOI: 10.7270/Q2N0190M
More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))		BDBM50260018
PNG
(CHEMBL4078110)
Show SMILES CC1CN(Cc2cc(ccc12)C(=O)Nc1cc(CN2CCOCC2)cc(c1)C(F)(F)F)c1cncnc1
Show InChI InChI=1S/C27H28F3N5O2/c1-18-14-35(24-12-31-17-32-13-24)16-21-10-20(2-3-25(18)21)26(36)33-23-9-19(8-22(11-23)27(28,29)30)15-34-4-6-37-7-5-34/h2-3,8-13,17-18H,4-7,14-16H2,1H3,(H,33,36)
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n/an/a 193n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged DDR1 catalytic domain expressed in baculovirus expression system using Fluorescein-Poly GAT as substrate m...

ACS Med Chem Lett 8: 327-332 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00497
BindingDB Entry DOI: 10.7270/Q2N0190M
More data for this
Ligand-Target Pair
Discoidin domain-containing receptor 2


(Homo sapiens (Human))		BDBM50260009
PNG
(CHEMBL4077561)
Show SMILES CCc1ccc(cc1C#Cc1ccc2ccnn2c1)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C31H30F3N5O/c1-3-24-7-8-26(18-25(24)6-4-22-5-9-29-10-11-35-39(29)21-22)30(40)36-28-17-23(16-27(19-28)31(32,33)34)20-38-14-12-37(2)13-15-38/h5,7-11,16-19,21H,3,12-15,20H2,1-2H3,(H,36,40)
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n/an/a 203n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged DDR2 cytoplasmic domain expressed in baculovirus expression system using Fluorescein-Poly GAT as substrate...

ACS Med Chem Lett 8: 327-332 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00497
BindingDB Entry DOI: 10.7270/Q2N0190M
More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))		BDBM50260019
PNG
(CHEMBL4066530)
Show SMILES CC1CN(Cc2cc(ccc12)C(=O)Nc1cc(CN2CCSCC2)cc(c1)C(F)(F)F)c1cncnc1
Show InChI InChI=1S/C27H28F3N5OS/c1-18-14-35(24-12-31-17-32-13-24)16-21-10-20(2-3-25(18)21)26(36)33-23-9-19(8-22(11-23)27(28,29)30)15-34-4-6-37-7-5-34/h2-3,8-13,17-18H,4-7,14-16H2,1H3,(H,33,36)
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n/an/a 209n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged DDR1 catalytic domain expressed in baculovirus expression system using Fluorescein-Poly GAT as substrate m...

ACS Med Chem Lett 8: 327-332 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00497
BindingDB Entry DOI: 10.7270/Q2N0190M
More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))		BDBM50260039
PNG
(CHEMBL4069922)
Show SMILES CC1CN(Cc2cc(ccc12)C(=O)Nc1cc(CN2CCCC2)cc(c1)C(F)(F)F)c1cncnc1
Show InChI InChI=1S/C27H28F3N5O/c1-18-14-35(24-12-31-17-32-13-24)16-21-10-20(4-5-25(18)21)26(36)33-23-9-19(15-34-6-2-3-7-34)8-22(11-23)27(28,29)30/h4-5,8-13,17-18H,2-3,6-7,14-16H2,1H3,(H,33,36)
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n/an/a 222n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged DDR1 catalytic domain expressed in baculovirus expression system using Fluorescein-Poly GAT as substrate m...

ACS Med Chem Lett 8: 327-332 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00497
BindingDB Entry DOI: 10.7270/Q2N0190M
More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))		BDBM50260028
PNG
(CHEMBL4068810 | US10370360, Example 7)
Show SMILES CN1CCN(Cc2cc(NC(=O)c3ccc4c(CN(CC4(C)C)c4cncnc4)c3)cc(c2)C(F)(F)F)CC1
Show InChI InChI=1S/C29H33F3N6O/c1-28(2)18-38(25-14-33-19-34-15-25)17-22-12-21(4-5-26(22)28)27(39)35-24-11-20(10-23(13-24)29(30,31)32)16-37-8-6-36(3)7-9-37/h4-5,10-15,19H,6-9,16-18H2,1-3H3,(H,35,39)
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n/an/a 223n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged DDR1 catalytic domain expressed in baculovirus expression system using Fluorescein-Poly GAT as substrate m...

ACS Med Chem Lett 8: 327-332 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00497
BindingDB Entry DOI: 10.7270/Q2N0190M
More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))		BDBM50260021
PNG
(CHEMBL4086988)
Show SMILES CC1CN(Cc2cc(ccc12)C(=O)Nc1cc(CN(C)C)cc(c1)C(F)(F)F)c1cncnc1
Show InChI InChI=1S/C25H26F3N5O/c1-16-12-33(22-10-29-15-30-11-22)14-19-8-18(4-5-23(16)19)24(34)31-21-7-17(13-32(2)3)6-20(9-21)25(26,27)28/h4-11,15-16H,12-14H2,1-3H3,(H,31,34)
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n/an/a 254n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged DDR1 catalytic domain expressed in baculovirus expression system using Fluorescein-Poly GAT as substrate m...

ACS Med Chem Lett 8: 327-332 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00497
BindingDB Entry DOI: 10.7270/Q2N0190M
More data for this
Ligand-Target Pair
Discoidin domain-containing receptor 2


(Homo sapiens (Human))		BDBM50260041
PNG
(CHEMBL4097012)
Show SMILES C[C@H]1CN(Cc2cc(ccc12)C(=O)Nc1cc(CN2CCCN(C)CC2)cc(c1)C(F)(F)F)c1cncnc1 |r|
Show InChI InChI=1S/C29H33F3N6O/c1-20-16-38(26-14-33-19-34-15-26)18-23-12-22(4-5-27(20)23)28(39)35-25-11-21(10-24(13-25)29(30,31)32)17-37-7-3-6-36(2)8-9-37/h4-5,10-15,19-20H,3,6-9,16-18H2,1-2H3,(H,35,39)/t20-/m0/s1
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n/an/a 255n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged DDR2 cytoplasmic domain expressed in baculovirus expression system using Fluorescein-Poly GAT as substrate...

ACS Med Chem Lett 8: 327-332 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00497
BindingDB Entry DOI: 10.7270/Q2N0190M
More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))		BDBM410085
PNG
(D2099 | US10370360, Example 37)
Show SMILES C[C@@H]1CN(Cc2cc(ccc12)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F)c1cncnc1 |r|
Show InChI InChI=1S/C28H31F3N6O/c1-19-15-37(25-13-32-18-33-14-25)17-22-11-21(3-4-26(19)22)27(38)34-24-10-20(9-23(12-24)28(29,30)31)16-36-7-5-35(2)6-8-36/h3-4,9-14,18-19H,5-8,15-17H2,1-2H3,(H,34,38)/t19-/m1/s1
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n/an/a 309n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged DDR1 (440 to 876 residues) expressed in baculovirus infected Sf9 insect cells using fluorescein-poly GAT a...

J Med Chem 59: 5911-6 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00140
BindingDB Entry DOI: 10.7270/Q20G3PMX
More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))		BDBM410085
PNG
(D2099 | US10370360, Example 37)
Show SMILES C[C@@H]1CN(Cc2cc(ccc12)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F)c1cncnc1 |r|
Show InChI InChI=1S/C28H31F3N6O/c1-19-15-37(25-13-32-18-33-14-25)17-22-11-21(3-4-26(19)22)27(38)34-24-10-20(9-23(12-24)28(29,30)31)16-36-7-5-35(2)6-8-36/h3-4,9-14,18-19H,5-8,15-17H2,1-2H3,(H,34,38)/t19-/m1/s1
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n/an/a 309n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged DDR1 (440 to 876 residues) expressed in baculovirus infected Sf9 insect cells using fluorescein-poly GAT a...

J Med Chem 59: 5911-6 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00140
BindingDB Entry DOI: 10.7270/Q20G3PMX
More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))		BDBM50532323
PNG
(CHEMBL4471343)
Show SMILES C[C@@H]1CN(Cc2cc(ccc12)C(=O)Nc1cc(cc(c1)C(F)(F)F)-n1cnc(C)c1)c1cncnc1 |r|
Show InChI InChI=1S/C26H23F3N6O/c1-16-11-34(23-9-30-14-31-10-23)13-19-5-18(3-4-24(16)19)25(36)33-21-6-20(26(27,28)29)7-22(8-21)35-12-17(2)32-15-35/h3-10,12,14-16H,11,13H2,1-2H3,(H,33,36)/t16-/m1/s1
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged DDR1 (440 to 876 residues) expressed in baculovirus infected Sf9 insect cells using fluorescein-poly GAT a...

J Med Chem 59: 5911-6 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00140
BindingDB Entry DOI: 10.7270/Q20G3PMX
More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))		BDBM50532323
PNG
(CHEMBL4471343)
Show SMILES C[C@@H]1CN(Cc2cc(ccc12)C(=O)Nc1cc(cc(c1)C(F)(F)F)-n1cnc(C)c1)c1cncnc1 |r|
Show InChI InChI=1S/C26H23F3N6O/c1-16-11-34(23-9-30-14-31-10-23)13-19-5-18(3-4-24(16)19)25(36)33-21-6-20(26(27,28)29)7-22(8-21)35-12-17(2)32-15-35/h3-10,12,14-16H,11,13H2,1-2H3,(H,33,36)/t16-/m1/s1
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n/an/a 326n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged DDR1 (440 to 876 residues) expressed in baculovirus infected Sf9 insect cells using fluorescein-poly GAT a...

J Med Chem 59: 5911-6 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00140
BindingDB Entry DOI: 10.7270/Q20G3PMX
More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))		BDBM410052
PNG
(D2211 | US10370360, Example 4)
Show SMILES CN1CCN(Cc2cc(NC(=O)c3ccc4CCN(Cc4c3)c3cccnc3)cc(c2)C(F)(F)F)CC1
Show InChI InChI=1S/C28H30F3N5O/c1-34-9-11-35(12-10-34)18-20-13-24(28(29,30)31)16-25(14-20)33-27(37)22-5-4-21-6-8-36(19-23(21)15-22)26-3-2-7-32-17-26/h2-5,7,13-17H,6,8-12,18-19H2,1H3,(H,33,37)
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n/an/a 328n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged DDR1 (440 to 876 residues) expressed in baculovirus infected Sf9 insect cells using fluorescein-poly GAT a...

J Med Chem 59: 5911-6 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00140
BindingDB Entry DOI: 10.7270/Q20G3PMX
More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))		BDBM410052
PNG
(D2211 | US10370360, Example 4)
Show SMILES CN1CCN(Cc2cc(NC(=O)c3ccc4CCN(Cc4c3)c3cccnc3)cc(c2)C(F)(F)F)CC1
Show InChI InChI=1S/C28H30F3N5O/c1-34-9-11-35(12-10-34)18-20-13-24(28(29,30)31)16-25(14-20)33-27(37)22-5-4-21-6-8-36(19-23(21)15-22)26-3-2-7-32-17-26/h2-5,7,13-17H,6,8-12,18-19H2,1H3,(H,33,37)
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n/an/a 328n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged DDR1 (440 to 876 residues) expressed in baculovirus infected Sf9 insect cells using fluorescein-poly GAT a...

J Med Chem 59: 5911-6 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00140
BindingDB Entry DOI: 10.7270/Q20G3PMX
More data for this
Ligand-Target Pair
Discoidin domain-containing receptor 2


(Homo sapiens (Human))		BDBM50260014
PNG
(CHEMBL4088784)
Show SMILES CC1CN(Cc2cc(ccc12)C(=O)Nc1ccc(CN2CCN(C)CC2)c(c1)C(F)(F)F)c1cncnc1
Show InChI InChI=1S/C28H31F3N6O/c1-19-15-37(24-13-32-18-33-14-24)17-22-11-20(4-6-25(19)22)27(38)34-23-5-3-21(26(12-23)28(29,30)31)16-36-9-7-35(2)8-10-36/h3-6,11-14,18-19H,7-10,15-17H2,1-2H3,(H,34,38)
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n/an/a 354n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged DDR2 cytoplasmic domain expressed in baculovirus expression system using Fluorescein-Poly GAT as substrate...

ACS Med Chem Lett 8: 327-332 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00497
BindingDB Entry DOI: 10.7270/Q2N0190M
More data for this
Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1


(Homo sapiens (Human))		BDBM50260009
PNG
(CHEMBL4077561)
Show SMILES CCc1ccc(cc1C#Cc1ccc2ccnn2c1)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C31H30F3N5O/c1-3-24-7-8-26(18-25(24)6-4-22-5-9-29-10-11-35-39(29)21-22)30(40)36-28-17-23(16-27(19-28)31(32,33)34)20-38-14-12-37(2)13-15-38/h5,7-11,16-19,21H,3,12-15,20H2,1-2H3,(H,36,40)
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n/an/a 414n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length His-tagged Bcr-Abl fusion protein cytoplasmic domain expressed in baculovirus expression system using tyr...

ACS Med Chem Lett 8: 327-332 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00497
BindingDB Entry DOI: 10.7270/Q2N0190M
More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))		BDBM50260024
PNG
(CHEMBL4095191 | US10370360, Example 3)
Show SMILES CN1CCN(Cc2cc(NC(=O)c3ccc4CCN(Cc4c3)c3cncnc3)cc(c2)C(F)(F)F)CC1
Show InChI InChI=1S/C27H29F3N6O/c1-34-6-8-35(9-7-34)16-19-10-23(27(28,29)30)13-24(11-19)33-26(37)21-3-2-20-4-5-36(17-22(20)12-21)25-14-31-18-32-15-25/h2-3,10-15,18H,4-9,16-17H2,1H3,(H,33,37)
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged DDR1 (440 to 876 residues) expressed in baculovirus infected Sf9 insect cells using fluorescein-poly GAT a...

J Med Chem 59: 5911-6 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00140
BindingDB Entry DOI: 10.7270/Q20G3PMX
More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))		BDBM50260024
PNG
(CHEMBL4095191 | US10370360, Example 3)
Show SMILES CN1CCN(Cc2cc(NC(=O)c3ccc4CCN(Cc4c3)c3cncnc3)cc(c2)C(F)(F)F)CC1
Show InChI InChI=1S/C27H29F3N6O/c1-34-6-8-35(9-7-34)16-19-10-23(27(28,29)30)13-24(11-19)33-26(37)21-3-2-20-4-5-36(17-22(20)12-21)25-14-31-18-32-15-25/h2-3,10-15,18H,4-9,16-17H2,1H3,(H,33,37)
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n/an/a 442n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged DDR1 (440 to 876 residues) expressed in baculovirus infected Sf9 insect cells using fluorescein-poly GAT a...

J Med Chem 59: 5911-6 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00140
BindingDB Entry DOI: 10.7270/Q20G3PMX
More data for this
Ligand-Target Pair
Discoidin domain-containing receptor 2


(Homo sapiens (Human))		BDBM50260040
PNG
(CHEMBL4083149)
Show SMILES CC1CN(Cc2cc(ccc12)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C1CCCCC1)c1cncnc1
Show InChI InChI=1S/C33H42N6O/c1-24-20-39(31-18-34-23-35-19-31)22-29-16-27(8-9-32(24)29)33(40)36-30-15-25(21-38-12-10-37(2)11-13-38)14-28(17-30)26-6-4-3-5-7-26/h8-9,14-19,23-24,26H,3-7,10-13,20-22H2,1-2H3,(H,36,40)
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n/an/a 462n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged DDR2 cytoplasmic domain expressed in baculovirus expression system using Fluorescein-Poly GAT as substrate...

ACS Med Chem Lett 8: 327-332 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00497
BindingDB Entry DOI: 10.7270/Q2N0190M
More data for this
Ligand-Target Pair
Discoidin domain-containing receptor 2


(Homo sapiens (Human))		BDBM50260033
PNG
(CHEMBL4066114 | US10370360, Example 38)
Show SMILES C[C@H]1CN(Cc2cc(ccc12)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F)c1cncnc1 |r|
Show InChI InChI=1S/C28H31F3N6O/c1-19-15-37(25-13-32-18-33-14-25)17-22-11-21(3-4-26(19)22)27(38)34-24-10-20(9-23(12-24)28(29,30)31)16-36-7-5-35(2)6-8-36/h3-4,9-14,18-19H,5-8,15-17H2,1-2H3,(H,34,38)/t19-/m0/s1
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Jinan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged DDR2 cytoplasmic domain expressed in baculovirus expression system using Fluorescein-Poly GAT as substrate...

ACS Med Chem Lett 8: 327-332 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00497
BindingDB Entry DOI: 10.7270/Q2N0190M
More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))		BDBM50260010
PNG
(CHEMBL4096111)
Show SMILES CC1Cc2ccc(cc2CN1c1cncnc1)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C28H31F3N6O/c1-19-9-21-3-4-22(12-23(21)17-37(19)26-14-32-18-33-15-26)27(38)34-25-11-20(10-24(13-25)28(29,30)31)16-36-7-5-35(2)6-8-36/h3-4,10-15,18-19H,5-9,16-17H2,1-2H3,(H,34,38)
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Jinan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged DDR1 catalytic domain expressed in baculovirus expression system using Fluorescein-Poly GAT as substrate m...

ACS Med Chem Lett 8: 327-332 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00497
BindingDB Entry DOI: 10.7270/Q2N0190M
More data for this
Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1


(Homo sapiens (Human))		BDBM50260014
PNG
(CHEMBL4088784)
Show SMILES CC1CN(Cc2cc(ccc12)C(=O)Nc1ccc(CN2CCN(C)CC2)c(c1)C(F)(F)F)c1cncnc1
Show InChI InChI=1S/C28H31F3N6O/c1-19-15-37(24-13-32-18-33-14-24)17-22-11-20(4-6-25(19)22)27(38)34-23-5-3-21(26(12-23)28(29,30)31)16-36-9-7-35(2)8-10-36/h3-6,11-14,18-19H,7-10,15-17H2,1-2H3,(H,34,38)
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n/an/a 547n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length His-tagged Bcr-Abl fusion protein cytoplasmic domain expressed in baculovirus expression system using tyr...

ACS Med Chem Lett 8: 327-332 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00497
BindingDB Entry DOI: 10.7270/Q2N0190M
More data for this
Ligand-Target Pair
Discoidin domain-containing receptor 2


(Homo sapiens (Human))		BDBM50260022
PNG
(CHEMBL4075510)
Show SMILES CC1CN(Cc2cc(ccc12)C(=O)Nc1cc(CN2CCCN(C)CC2)cc(c1)C(F)(F)F)c1cncnc1
Show InChI InChI=1S/C29H33F3N6O/c1-20-16-38(26-14-33-19-34-15-26)18-23-12-22(4-5-27(20)23)28(39)35-25-11-21(10-24(13-25)29(30,31)32)17-37-7-3-6-36(2)8-9-37/h4-5,10-15,19-20H,3,6-9,16-18H2,1-2H3,(H,35,39)
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Jinan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged DDR2 cytoplasmic domain expressed in baculovirus expression system using Fluorescein-Poly GAT as substrate...

ACS Med Chem Lett 8: 327-332 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00497
BindingDB Entry DOI: 10.7270/Q2N0190M
More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))		BDBM50260011
PNG
(CHEMBL4060157 | US10370360, Example 39)
Show SMILES C[C@@H]1CN(Cc2cc(NC(=O)c3cc(CN4CCN(C)CC4)cc(c3)C(F)(F)F)ccc12)c1cncnc1 |r|
Show InChI InChI=1S/C28H31F3N6O/c1-19-15-37(25-13-32-18-33-14-25)17-22-12-24(3-4-26(19)22)34-27(38)21-9-20(10-23(11-21)28(29,30)31)16-36-7-5-35(2)6-8-36/h3-4,9-14,18-19H,5-8,15-17H2,1-2H3,(H,34,38)/t19-/m1/s1
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Jinan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged DDR1 catalytic domain expressed in baculovirus expression system using Fluorescein-Poly GAT as substrate m...

ACS Med Chem Lett 8: 327-332 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00497
BindingDB Entry DOI: 10.7270/Q2N0190M
More data for this
Ligand-Target Pair
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