Compile Data Set for Download or QSAR

Found 170 hits Enz. Inhib. hit(s) with all data for entry = 8724   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM371829 (2-(8-(1H-Indazole-5-carbonyl)-4-oxo-1-phenyl-1,3,8...) Show SMILES O=C(CN1CN(c2ccccc2)C2(CCN(CC2)C(=O)c2ccc3[nH]ncc3c2)C1=O)Nc1ccccc1 Show InChI InChI=1S/C29H28N6O3/c36-26(31-23-7-3-1-4-8-23)19-34-20-35(24-9-5-2-6-10-24)29(28(34)38)13-15-33(16-14-29)27(37)21-11-12-25-22(17-21)18-30-32-25/h1-12,17-18H,13-16,19-20H2,(H,30,32)(H,31,36)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10.6	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description This assay is based on the intracellular domain of the DDR1 protein which contains the kinase active site. The recombinant protein additionally carri...				US Patent US10435407 (2019) BindingDB Entry DOI: 10.7270/Q2MP55M4
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM371835 ((rac, trans)-2-(8-(1H-Indazole-5-carbonyl)-4-oxo-1...) Show SMILES O=C(CN1CN(c2ccccc2)C2(CCN(CC2)C(=O)c2ccc3[nH]ncc3c2)C1=O)N[C@H]1C[C@@H]1c1ccccc1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10.9	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description This assay is based on the intracellular domain of the DDR1 protein which contains the kinase active site. The recombinant protein additionally carri...				US Patent US10435407 (2019) BindingDB Entry DOI: 10.7270/Q2MP55M4
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM372088 (N-Cyclopropyl-2-[4-oxo-1-phenyl-8-(1H-pyrazolo[3,4...) Show SMILES FC(F)(F)CN(C1CC1)C(=O)CN1CN(c2ccccc2)C2(CCN(CC2)C(=O)c2cnc3[nH]ncc3c2)C1=O Show InChI InChI=1S/C27H28F3N7O3/c28-27(29,30)16-36(20-6-7-20)22(38)15-35-17-37(21-4-2-1-3-5-21)26(25(35)40)8-10-34(11-9-26)24(39)19-12-18-14-32-33-23(18)31-13-19/h1-5,12-14,20H,6-11,15-17H2,(H,31,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12.4	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description This assay is based on the intracellular domain of the DDR1 protein which contains the kinase active site. The recombinant protein additionally carri...				US Patent US10435407 (2019) BindingDB Entry DOI: 10.7270/Q2MP55M4
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM371821 (2-[1-(3-Fluoro-phenyl)-4-oxo-8-(1H-pyrazolo[3,4-b]...) Show SMILES Fc1cccc(c1)N1CN(CC(=O)NCC(F)(F)F)C(=O)C11CCN(CC1)C(=O)c1cnc2[nH]ncc2c1 Show InChI InChI=1S/C24H23F4N7O3/c25-17-2-1-3-18(9-17)35-14-34(12-19(36)30-13-24(26,27)28)22(38)23(35)4-6-33(7-5-23)21(37)16-8-15-11-31-32-20(15)29-10-16/h1-3,8-11H,4-7,12-14H2,(H,30,36)(H,29,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12.7	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description This assay is based on the intracellular domain of the DDR1 protein which contains the kinase active site. The recombinant protein additionally carri...				US Patent US10435407 (2019) BindingDB Entry DOI: 10.7270/Q2MP55M4
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM372102 (2-(1-(3-Chlorophenyl)-4-oxo-8-(1H-pyrazolo[3,4-b]p...) Show SMILES FC(F)(F)CNC(=O)CN1CN(c2cccc(Cl)c2)C2(CCN(CC2)C(=O)c2cnc3[nH]ncc3c2)C1=O Show InChI InChI=1S/C24H23ClF3N7O3/c25-17-2-1-3-18(9-17)35-14-34(12-19(36)30-13-24(26,27)28)22(38)23(35)4-6-33(7-5-23)21(37)16-8-15-11-31-32-20(15)29-10-16/h1-3,8-11H,4-7,12-14H2,(H,30,36)(H,29,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12.9	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description This assay is based on the intracellular domain of the DDR1 protein which contains the kinase active site. The recombinant protein additionally carri...				US Patent US10435407 (2019) BindingDB Entry DOI: 10.7270/Q2MP55M4
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM371932 (3-[(3-Cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-8-(...) Show SMILES O=C(N1CCC2(CC1)N(CN(Cc1nc(no1)C1CC1)C2=O)c1ccccc1)c1ccc2[nH]ncc2c1 Show InChI InChI=1S/C27H27N7O3/c35-25(19-8-9-22-20(14-19)15-28-30-22)32-12-10-27(11-13-32)26(36)33(17-34(27)21-4-2-1-3-5-21)16-23-29-24(31-37-23)18-6-7-18/h1-5,8-9,14-15,18H,6-7,10-13,16-17H2,(H,28,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	13.8	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description This assay is based on the intracellular domain of the DDR1 protein which contains the kinase active site. The recombinant protein additionally carri...				US Patent US10435407 (2019) BindingDB Entry DOI: 10.7270/Q2MP55M4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM371847 (2-(8-(1H-Indazole-5-carbonyl)-4-oxo-1-phenyl-1,3,8...) Show SMILES O=C(CN1CN(c2ccccc2)C2(CCN(CC2)C(=O)c2ccc3[nH]ncc3c2)C1=O)Nc1ccccn1 Show InChI InChI=1S/C28H27N7O3/c36-25(31-24-8-4-5-13-29-24)18-34-19-35(22-6-2-1-3-7-22)28(27(34)38)11-14-33(15-12-28)26(37)20-9-10-23-21(16-20)17-30-32-23/h1-10,13,16-17H,11-12,14-15,18-19H2,(H,30,32)(H,29,31,36)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15.4	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description This assay is based on the intracellular domain of the DDR1 protein which contains the kinase active site. The recombinant protein additionally carri...				US Patent US10435407 (2019) BindingDB Entry DOI: 10.7270/Q2MP55M4
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM371830 (2-(8-(1H-Indazole-5-carbonyl)-4-oxo-1-phenyl-1,3,8...) Show SMILES FC(F)(F)CNC(=O)CN1CN(c2ccccc2)C2(CCN(CC2)C(=O)c2ccc3[nH]ncc3c2)C1=O Show InChI InChI=1S/C25H25F3N6O3/c26-25(27,28)15-29-21(35)14-33-16-34(19-4-2-1-3-5-19)24(23(33)37)8-10-32(11-9-24)22(36)17-6-7-20-18(12-17)13-30-31-20/h1-7,12-13H,8-11,14-16H2,(H,29,35)(H,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15.5	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description This assay is based on the intracellular domain of the DDR1 protein which contains the kinase active site. The recombinant protein additionally carri...				US Patent US10435407 (2019) BindingDB Entry DOI: 10.7270/Q2MP55M4
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM372052 (2-[4-Oxo-1-phenyl-8-(1H-pyrazolo[3,4-b]pyridine-5-...) Show SMILES CC(C)N(CC(F)(F)F)C(=O)CN1CN(c2ccccc2)C2(CCN(CC2)C(=O)c2cnc3[nH]ncc3c2)C1=O Show InChI InChI=1S/C27H30F3N7O3/c1-18(2)36(16-27(28,29)30)22(38)15-35-17-37(21-6-4-3-5-7-21)26(25(35)40)8-10-34(11-9-26)24(39)20-12-19-14-32-33-23(19)31-13-20/h3-7,12-14,18H,8-11,15-17H2,1-2H3,(H,31,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17.2	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description This assay is based on the intracellular domain of the DDR1 protein which contains the kinase active site. The recombinant protein additionally carri...				US Patent US10435407 (2019) BindingDB Entry DOI: 10.7270/Q2MP55M4
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM372136 (2-[8-(1H-indazole-5-carbonyl)-4-oxo-1-phenyl-1,3,8...) Show SMILES FC(F)(F)C1(CC1)NC(=O)CN1CN(c2ccccc2)C2(CCN(CC2)C(=O)c2ccc3[nH]ncc3c2)C1=O Show InChI InChI=1S/C27H27F3N6O3/c28-27(29,30)26(8-9-26)32-22(37)16-35-17-36(20-4-2-1-3-5-20)25(24(35)39)10-12-34(13-11-25)23(38)18-6-7-21-19(14-18)15-31-33-21/h1-7,14-15H,8-13,16-17H2,(H,31,33)(H,32,37)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17.2	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description This assay is based on the intracellular domain of the DDR1 protein which contains the kinase active site. The recombinant protein additionally carri...				US Patent US10435407 (2019) BindingDB Entry DOI: 10.7270/Q2MP55M4
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM371865 (2-[4-Oxo-1-phenyl-8-(1H-pyrazolo[3,4-b]pyridine-5-...) Show SMILES FC(F)(F)CNC(=O)CN1CN(c2ccccc2)C2(CCN(CC2)C(=O)c2cnc3[nH]ncc3c2)C1=O Show InChI InChI=1S/C24H24F3N7O3/c25-24(26,27)14-29-19(35)13-33-15-34(18-4-2-1-3-5-18)23(22(33)37)6-8-32(9-7-23)21(36)17-10-16-12-30-31-20(16)28-11-17/h1-5,10-12H,6-9,13-15H2,(H,29,35)(H,28,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17.3	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description This assay is based on the intracellular domain of the DDR1 protein which contains the kinase active site. The recombinant protein additionally carri...				US Patent US10435407 (2019) BindingDB Entry DOI: 10.7270/Q2MP55M4
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM414944 ((S)-3-(2-Oxo-2-(2-(trifluoromethyl)pyrrolidin-1-yl...) Show SMILES FC(F)(F)[C@@H]1CCCN1C(=O)CN1CN(c2ccccc2)C2(CCN(CC2)C(=O)c2cnc3[nH]ncc3c2)C1=O |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17.7	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description This assay is based on the intracellular domain of the DDR1 protein which contains the kinase active site. The recombinant protein additionally carri...				US Patent US10435407 (2019) BindingDB Entry DOI: 10.7270/Q2MP55M4
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM372117 ((R)- or (S)-3-(2-Oxo-2-(2-(trifluoromethyl)morphol...) Show SMILES FC(F)(F)[C@H]1CN(CCO1)C(=O)CN1CN(c2ccccc2)C2(CCN(CC2)C(=O)c2ccc3[nH]ncc3n2)C1=O |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17.7	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description This assay is based on the intracellular domain of the DDR1 protein which contains the kinase active site. The recombinant protein additionally carri...				US Patent US10435407 (2019) BindingDB Entry DOI: 10.7270/Q2MP55M4
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM372139 (2-(8-(7-Methyl-1H-indazole-5-carbonyl)-4-oxo-1-phe...) Show SMILES Cc1cc(cc2cn[nH]c12)C(=O)N1CCC2(CC1)N(CN(CC(=O)NCC(F)(F)F)C2=O)c1ccccc1 Show InChI InChI=1S/C26H27F3N6O3/c1-17-11-18(12-19-13-31-32-22(17)19)23(37)33-9-7-25(8-10-33)24(38)34(14-21(36)30-15-26(27,28)29)16-35(25)20-5-3-2-4-6-20/h2-6,11-13H,7-10,14-16H2,1H3,(H,30,36)(H,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17.8	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description This assay is based on the intracellular domain of the DDR1 protein which contains the kinase active site. The recombinant protein additionally carri...				US Patent US10435407 (2019) BindingDB Entry DOI: 10.7270/Q2MP55M4
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM372125 ((S)- or (R)-8-(1H-indazole-5-carbonyl)-3-(2-oxo-2-...) Show SMILES FC(F)(F)[C@H]1CN(CCO1)C(=O)CN1CN(c2ccccc2)C2(CCN(CC2)C(=O)c2ccc3[nH]ncc3c2)C1=O |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	18.1	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description This assay is based on the intracellular domain of the DDR1 protein which contains the kinase active site. The recombinant protein additionally carri...				US Patent US10435407 (2019) BindingDB Entry DOI: 10.7270/Q2MP55M4
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM372078 (2-(8-(1H-Indazole-5-carbonyl)-4-oxo-1-phenyl-1,3,8...) Show SMILES CN(CC(F)(F)F)C(=O)CN1CN(c2ccccc2)C2(CCN(CC2)C(=O)c2ccc3[nH]ncc3c2)C1=O Show InChI InChI=1S/C26H27F3N6O3/c1-32(16-26(27,28)29)22(36)15-34-17-35(20-5-3-2-4-6-20)25(24(34)38)9-11-33(12-10-25)23(37)18-7-8-21-19(13-18)14-30-31-21/h2-8,13-14H,9-12,15-17H2,1H3,(H,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	18.7	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description This assay is based on the intracellular domain of the DDR1 protein which contains the kinase active site. The recombinant protein additionally carri...				US Patent US10435407 (2019) BindingDB Entry DOI: 10.7270/Q2MP55M4
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM372045 (3-[2-(3,3-Difluoropyrrolidin-1-yl)-2-oxoethyl]-1-p...) Show SMILES FC1(F)CCN(C1)C(=O)CN1CN(c2ccccc2)C2(CCN(CC2)C(=O)c2cnc3[nH]ncc3c2)C1=O Show InChI InChI=1S/C26H27F2N7O3/c27-26(28)8-11-33(16-26)21(36)15-34-17-35(20-4-2-1-3-5-20)25(24(34)38)6-9-32(10-7-25)23(37)19-12-18-14-30-31-22(18)29-13-19/h1-5,12-14H,6-11,15-17H2,(H,29,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19.1	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description This assay is based on the intracellular domain of the DDR1 protein which contains the kinase active site. The recombinant protein additionally carri...				US Patent US10435407 (2019) BindingDB Entry DOI: 10.7270/Q2MP55M4
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM372046 ((RS)-3-[2-(2,2-Difluoro-5-azaspiro[2.4]heptan-5-yl...) Show SMILES FC1(F)CC11CCN(C1)C(=O)CN1CN(c2ccccc2)C2(CCN(CC2)C(=O)c2cnc3[nH]ncc3c2)C1=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19.3	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description This assay is based on the intracellular domain of the DDR1 protein which contains the kinase active site. The recombinant protein additionally carri...				US Patent US10435407 (2019) BindingDB Entry DOI: 10.7270/Q2MP55M4
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM372110 (8-(1H-Indazole-5-carbonyl)-3-[2-[4-methyl-3-(trifl...) Show SMILES CN1CCN(CC1C(F)(F)F)C(=O)CN1CN(c2ccccc2)C2(CCN(CC2)C(=O)c2ccc3[nH]ncc3c2)C1=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19.3	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description This assay is based on the intracellular domain of the DDR1 protein which contains the kinase active site. The recombinant protein additionally carri...				US Patent US10435407 (2019) BindingDB Entry DOI: 10.7270/Q2MP55M4
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM372068 (2-(4-Oxo-1-phenyl-8-(1H-pyrazolo[4,3-b]pyridine-5-...) Show SMILES FC(F)(F)CNC(=O)CN1CN(c2ccccc2)C2(CCN(CC2)C(=O)c2ccc3[nH]ncc3n2)C1=O Show InChI InChI=1S/C24H24F3N7O3/c25-24(26,27)14-28-20(35)13-33-15-34(16-4-2-1-3-5-16)23(22(33)37)8-10-32(11-9-23)21(36)18-7-6-17-19(30-18)12-29-31-17/h1-7,12H,8-11,13-15H2,(H,28,35)(H,29,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19.4	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description This assay is based on the intracellular domain of the DDR1 protein which contains the kinase active site. The recombinant protein additionally carri...				US Patent US10435407 (2019) BindingDB Entry DOI: 10.7270/Q2MP55M4
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM371875 (2-(4-Oxo-1-phenyl-8-(1H-pyrazolo[3,4-b]pyridine-5-...) Show SMILES O=C(CN1CN(c2ccccc2)C2(CCN(CC2)C(=O)c2cnc3[nH]ncc3c2)C1=O)Nc1ccccc1 Show InChI InChI=1S/C28H27N7O3/c36-24(31-22-7-3-1-4-8-22)18-34-19-35(23-9-5-2-6-10-23)28(27(34)38)11-13-33(14-12-28)26(37)21-15-20-17-30-32-25(20)29-16-21/h1-10,15-17H,11-14,18-19H2,(H,31,36)(H,29,30,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19.7	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description This assay is based on the intracellular domain of the DDR1 protein which contains the kinase active site. The recombinant protein additionally carri...				US Patent US10435407 (2019) BindingDB Entry DOI: 10.7270/Q2MP55M4
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM372081 (2-(8-(3-Amino-1H-indazole-5-carbonyl)-4-oxo-1-phen...) Show SMILES Nc1n[nH]c2ccc(cc12)C(=O)N1CCC2(CC1)N(CN(CC(=O)NCC(F)(F)F)C2=O)c1ccccc1 Show InChI InChI=1S/C25H26F3N7O3/c26-25(27,28)14-30-20(36)13-34-15-35(17-4-2-1-3-5-17)24(23(34)38)8-10-33(11-9-24)22(37)16-6-7-19-18(12-16)21(29)32-31-19/h1-7,12H,8-11,13-15H2,(H,30,36)(H3,29,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description This assay is based on the intracellular domain of the DDR1 protein which contains the kinase active site. The recombinant protein additionally carri...				US Patent US10435407 (2019) BindingDB Entry DOI: 10.7270/Q2MP55M4
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM372090 ((−)-2-[8-(1H-Indazole-5-carbonyl)-4-oxo-1-ph...) Show SMILES C[C@@H](N1CN(c2ccccc2)C2(CCN(CC2)C(=O)c2ccc3[nH]ncc3c2)C1=O)C(=O)NCC(F)(F)F |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description This assay is based on the intracellular domain of the DDR1 protein which contains the kinase active site. The recombinant protein additionally carri...				US Patent US10435407 (2019) BindingDB Entry DOI: 10.7270/Q2MP55M4
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM372114 (N-(2-(Morpholinomethyl)phenyl)-2-(4-oxo-1-phenyl-8...) Show SMILES O=C(CN1CN(c2ccccc2)C2(CCN(CC2)C(=O)c2cnc3[nH]ncc3c2)C1=O)Nc1ccccc1CN1CCOCC1 Show InChI InChI=1S/C33H36N8O4/c42-29(36-28-9-5-4-6-24(28)21-38-14-16-45-17-15-38)22-40-23-41(27-7-2-1-3-8-27)33(32(40)44)10-12-39(13-11-33)31(43)26-18-25-20-35-37-30(25)34-19-26/h1-9,18-20H,10-17,21-23H2,(H,36,42)(H,34,35,37)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	23.1	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description This assay is based on the intracellular domain of the DDR1 protein which contains the kinase active site. The recombinant protein additionally carri...				US Patent US10435407 (2019) BindingDB Entry DOI: 10.7270/Q2MP55M4
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM372120 ((R)- or (S)-8-(1H-indazole-5-carbonyl)-3-(2-oxo-2-...) Show SMILES FC(F)(F)[C@@H]1CN(CCO1)C(=O)CN1CN(c2ccccc2)C2(CCN(CC2)C(=O)c2ccc3[nH]ncc3c2)C1=O |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	23.3	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description This assay is based on the intracellular domain of the DDR1 protein which contains the kinase active site. The recombinant protein additionally carri...				US Patent US10435407 (2019) BindingDB Entry DOI: 10.7270/Q2MP55M4
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM371983 ((RS)-3-[2-Oxo-2-[3-(trifluoromethyl)pyrrolidin-1-y...) Show SMILES FC(F)(F)C1CCN(C1)C(=O)CN1CN(c2ccccc2)C2(CCN(CC2)C(=O)c2cnc3[nH]ncc3c2)C1=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	23.8	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description This assay is based on the intracellular domain of the DDR1 protein which contains the kinase active site. The recombinant protein additionally carri...				US Patent US10435407 (2019) BindingDB Entry DOI: 10.7270/Q2MP55M4
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM371993 (3-[2-(3,3-Dimethylpyrrolidin-1-yl)-2-oxoethyl]-8-(...) Show SMILES CC1(C)CCN(C1)C(=O)CN1CN(c2ccccc2)C2(CCN(CC2)C(=O)c2ccc3[nH]ncc3c2)C1=O Show InChI InChI=1S/C29H34N6O3/c1-28(2)10-13-33(19-28)25(36)18-34-20-35(23-6-4-3-5-7-23)29(27(34)38)11-14-32(15-12-29)26(37)21-8-9-24-22(16-21)17-30-31-24/h3-9,16-17H,10-15,18-20H2,1-2H3,(H,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	24.4	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description This assay is based on the intracellular domain of the DDR1 protein which contains the kinase active site. The recombinant protein additionally carri...				US Patent US10435407 (2019) BindingDB Entry DOI: 10.7270/Q2MP55M4
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM372080 (2-(8-(3-Methyl-1H-indazole-5-carbonyl)-4-oxo-1-phe...) Show SMILES Cc1n[nH]c2ccc(cc12)C(=O)N1CCC2(CC1)N(CN(CC(=O)NCC(F)(F)F)C2=O)c1ccccc1 Show InChI InChI=1S/C26H27F3N6O3/c1-17-20-13-18(7-8-21(20)32-31-17)23(37)33-11-9-25(10-12-33)24(38)34(14-22(36)30-15-26(27,28)29)16-35(25)19-5-3-2-4-6-19/h2-8,13H,9-12,14-16H2,1H3,(H,30,36)(H,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description This assay is based on the intracellular domain of the DDR1 protein which contains the kinase active site. The recombinant protein additionally carri...				US Patent US10435407 (2019) BindingDB Entry DOI: 10.7270/Q2MP55M4
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM371921 (N-(Adamantan-1-yl)-2-(4-oxo-1-phenyl-8-(1H-pyrazol...) Show SMILES O=C(CN1CN(c2ccccc2)C2(CCN(CC2)C(=O)c2cnc3[nH]ncc3c2)C1=O)NC12CC3CC(CC(C3)C1)C2 |TLB:35:36:33.34.39:40,39:34:41:38.40.37,39:38:33.34.35:41,THB:35:34:40:36.41.37| Show InChI InChI=1S/C32H37N7O3/c40-27(35-31-14-21-10-22(15-31)12-23(11-21)16-31)19-38-20-39(26-4-2-1-3-5-26)32(30(38)42)6-8-37(9-7-32)29(41)25-13-24-18-34-36-28(24)33-17-25/h1-5,13,17-18,21-23H,6-12,14-16,19-20H2,(H,35,40)(H,33,34,36)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	27.1	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description This assay is based on the intracellular domain of the DDR1 protein which contains the kinase active site. The recombinant protein additionally carri...				US Patent US10435407 (2019) BindingDB Entry DOI: 10.7270/Q2MP55M4
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM372044 ((RS)-3-[2-(3-Fluoro-3-methylpyrrolidin-1-yl)-2-oxo...) Show SMILES CC1(F)CCN(C1)C(=O)CN1CN(c2ccccc2)C2(CCN(CC2)C(=O)c2cnc3[nH]ncc3c2)C1=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	27.3	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description This assay is based on the intracellular domain of the DDR1 protein which contains the kinase active site. The recombinant protein additionally carri...				US Patent US10435407 (2019) BindingDB Entry DOI: 10.7270/Q2MP55M4
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM372122 ((S)- or (R)-3-(2-Oxo-2-(2-(trifluoromethyl)morphol...) Show SMILES FC(F)(F)[C@@H]1CN(CCO1)C(=O)CN1CN(c2ccccc2)C2(CCN(CC2)C(=O)c2ccc3[nH]ncc3n2)C1=O |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	27.9	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description This assay is based on the intracellular domain of the DDR1 protein which contains the kinase active site. The recombinant protein additionally carri...				US Patent US10435407 (2019) BindingDB Entry DOI: 10.7270/Q2MP55M4
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM372129 (8-(1H-Indazole-5-carbonyl)-3-[2-[(3S or 3R)-4-meth...) Show SMILES CN1CCN(C[C@H]1C(F)(F)F)C(=O)CN1CN(c2ccccc2)C2(CCN(CC2)C(=O)c2ccc3[nH]ncc3c2)C1=O |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	29.5	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description This assay is based on the intracellular domain of the DDR1 protein which contains the kinase active site. The recombinant protein additionally carri...				US Patent US10435407 (2019) BindingDB Entry DOI: 10.7270/Q2MP55M4
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM371909 (N-Methyl-2-(4-oxo-1-phenyl-8-(1H-pyrazolo[3,4-b]py...) Show SMILES CN(CC(F)(F)F)C(=O)CN1CN(c2ccccc2)C2(CCN(CC2)C(=O)c2cnc3[nH]ncc3c2)C1=O Show InChI InChI=1S/C25H26F3N7O3/c1-32(15-25(26,27)28)20(36)14-34-16-35(19-5-3-2-4-6-19)24(23(34)38)7-9-33(10-8-24)22(37)18-11-17-13-30-31-21(17)29-12-18/h2-6,11-13H,7-10,14-16H2,1H3,(H,29,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	29.6	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description This assay is based on the intracellular domain of the DDR1 protein which contains the kinase active site. The recombinant protein additionally carri...				US Patent US10435407 (2019) BindingDB Entry DOI: 10.7270/Q2MP55M4
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM372137 (N-(2-cyanopropan-2-yl)-2-[8-(1H-indazole-5-carbony...) Show SMILES CC(C)(NC(=O)CN1CN(c2ccccc2)C2(CCN(CC2)C(=O)c2ccc3[nH]ncc3c2)C1=O)C#N Show InChI InChI=1S/C27H29N7O3/c1-26(2,17-28)30-23(35)16-33-18-34(21-6-4-3-5-7-21)27(25(33)37)10-12-32(13-11-27)24(36)19-8-9-22-20(14-19)15-29-31-22/h3-9,14-15H,10-13,16,18H2,1-2H3,(H,29,31)(H,30,35)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	33.2	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description This assay is based on the intracellular domain of the DDR1 protein which contains the kinase active site. The recombinant protein additionally carri...				US Patent US10435407 (2019) BindingDB Entry DOI: 10.7270/Q2MP55M4
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM372085 (N-(6-Cyanopyridin-2-yl)-2-[4-oxo-1-phenyl-8-(1H-py...) Show SMILES O=C(CN1CN(c2ccccc2)C2(CCN(CC2)C(=O)c2cnc3[nH]ncc3c2)C1=O)Nc1cccc(n1)C#N Show InChI InChI=1S/C28H25N9O3/c29-14-21-5-4-8-23(32-21)33-24(38)17-36-18-37(22-6-2-1-3-7-22)28(27(36)40)9-11-35(12-10-28)26(39)20-13-19-16-31-34-25(19)30-15-20/h1-8,13,15-16H,9-12,17-18H2,(H,30,31,34)(H,32,33,38)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	33.3	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description This assay is based on the intracellular domain of the DDR1 protein which contains the kinase active site. The recombinant protein additionally carri...				US Patent US10435407 (2019) BindingDB Entry DOI: 10.7270/Q2MP55M4
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM372119 ((R)- or (S)-8-(1H-Indazole-5-carbonyl)-3-(2-oxo-2-...) Show SMILES FC(F)(F)[C@H]1CN(CCO1)C(=O)CN1CN(c2ccccc2)C2(CCN(CC2)C(=O)c2cnc3[nH]ncc3c2)C1=O |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	33.7	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description This assay is based on the intracellular domain of the DDR1 protein which contains the kinase active site. The recombinant protein additionally carri...				US Patent US10435407 (2019) BindingDB Entry DOI: 10.7270/Q2MP55M4
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM372101 (3-(2-Oxo-2-(2-(trifluoromethyl)morpholino)ethyl)-1...) Show SMILES FC(F)(F)C1CN(CCO1)C(=O)CN1CN(c2ccccc2)C2(CCN(CC2)C(=O)c2cnc3[nH]ncc3c2)C1=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	34.3	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description This assay is based on the intracellular domain of the DDR1 protein which contains the kinase active site. The recombinant protein additionally carri...				US Patent US10435407 (2019) BindingDB Entry DOI: 10.7270/Q2MP55M4
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM372082 (2-[8-(1H-Indazole-5-carbonyl)-4-oxo-1-phenyl-1,3,8...) Show SMILES CC(N1CN(c2ccccc2)C2(CCN(CC2)C(=O)c2ccc3[nH]ncc3c2)C1=O)C(=O)NCC(F)(F)F Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	34.9	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description This assay is based on the intracellular domain of the DDR1 protein which contains the kinase active site. The recombinant protein additionally carri...				US Patent US10435407 (2019) BindingDB Entry DOI: 10.7270/Q2MP55M4
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM372133 (N-(2-hydroxyethyl)-2-[8-(1H-indazole-5-carbonyl)-4...) Show SMILES OCCN(CC(F)(F)F)C(=O)CN1CN(c2ccccc2)C2(CCN(CC2)C(=O)c2ccc3[nH]ncc3c2)C1=O Show InChI InChI=1S/C27H29F3N6O4/c28-27(29,30)17-34(12-13-37)23(38)16-35-18-36(21-4-2-1-3-5-21)26(25(35)40)8-10-33(11-9-26)24(39)19-6-7-22-20(14-19)15-31-32-22/h1-7,14-15,37H,8-13,16-18H2,(H,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	36.3	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description This assay is based on the intracellular domain of the DDR1 protein which contains the kinase active site. The recombinant protein additionally carri...				US Patent US10435407 (2019) BindingDB Entry DOI: 10.7270/Q2MP55M4
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM372146 (2-[1-(3-Chloro-5-fluorophenyl)-4-oxo-8-(1H-pyrazol...) Show SMILES Fc1cc(Cl)cc(c1)N1CN(CC(=O)NCC(F)(F)F)C(=O)C11CCN(CC1)C(=O)c1cnc2[nH]ncc2c1 Show InChI InChI=1S/C24H22ClF4N7O3/c25-16-6-17(26)8-18(7-16)36-13-35(11-19(37)31-12-24(27,28)29)22(39)23(36)1-3-34(4-2-23)21(38)15-5-14-10-32-33-20(14)30-9-15/h5-10H,1-4,11-13H2,(H,31,37)(H,30,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	36.9	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description This assay is based on the intracellular domain of the DDR1 protein which contains the kinase active site. The recombinant protein additionally carri...				US Patent US10435407 (2019) BindingDB Entry DOI: 10.7270/Q2MP55M4
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM371833 (2-(8-(1H-Indazole-5-carbonyl)-4-oxo-1-phenyl-1,3,8...) Show SMILES O=C(CN1CN(c2ccccc2)C2(CCN(CC2)C(=O)c2ccc3[nH]ncc3c2)C1=O)NCCN1CCOCC1 Show InChI InChI=1S/C29H35N7O4/c37-26(30-10-13-33-14-16-40-17-15-33)20-35-21-36(24-4-2-1-3-5-24)29(28(35)39)8-11-34(12-9-29)27(38)22-6-7-25-23(18-22)19-31-32-25/h1-7,18-19H,8-17,20-21H2,(H,30,37)(H,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	39.7	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description This assay is based on the intracellular domain of the DDR1 protein which contains the kinase active site. The recombinant protein additionally carri...				US Patent US10435407 (2019) BindingDB Entry DOI: 10.7270/Q2MP55M4
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM372130 ((R) or (S)-8-(1H-indazole-5-carbonyl)-3-(2-oxo-2-(...) Show SMILES FC(F)(F)[C@H]1CN(CCN1)C(=O)CN1CN(c2ccccc2)C2(CCN(CC2)C(=O)c2ccc3[nH]ncc3c2)C1=O |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	41.9	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description This assay is based on the intracellular domain of the DDR1 protein which contains the kinase active site. The recombinant protein additionally carri...				US Patent US10435407 (2019) BindingDB Entry DOI: 10.7270/Q2MP55M4
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM371836 (8-(1H-Indazole-5-carbonyl)-3-(2-morpholino-2-oxoet...) Show SMILES O=C(CN1CN(c2ccccc2)C2(CCN(CC2)C(=O)c2ccc3[nH]ncc3c2)C1=O)N1CCOCC1 Show InChI InChI=1S/C27H30N6O4/c34-24(30-12-14-37-15-13-30)18-32-19-33(22-4-2-1-3-5-22)27(26(32)36)8-10-31(11-9-27)25(35)20-6-7-23-21(16-20)17-28-29-23/h1-7,16-17H,8-15,18-19H2,(H,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description This assay is based on the intracellular domain of the DDR1 protein which contains the kinase active site. The recombinant protein additionally carri...				US Patent US10435407 (2019) BindingDB Entry DOI: 10.7270/Q2MP55M4
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM372067 (2-(3-((2-(8-(1H-indazole-5-carbonyl)-4-oxo-1-pheny...) Show SMILES CNC(=O)Cc1cccc(CNC(=O)CN2CN(c3ccccc3)C3(CCN(CC3)C(=O)c3ccc4[nH]ncc4c3)C2=O)c1 Show InChI InChI=1S/C33H35N7O4/c1-34-29(41)17-23-6-5-7-24(16-23)19-35-30(42)21-39-22-40(27-8-3-2-4-9-27)33(32(39)44)12-14-38(15-13-33)31(43)25-10-11-28-26(18-25)20-36-37-28/h2-11,16,18,20H,12-15,17,19,21-22H2,1H3,(H,34,41)(H,35,42)(H,36,37)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	43.1	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description This assay is based on the intracellular domain of the DDR1 protein which contains the kinase active site. The recombinant protein additionally carri...				US Patent US10435407 (2019) BindingDB Entry DOI: 10.7270/Q2MP55M4
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM371856 (2-(4-Oxo-1-phenyl-8-(1H-pyrazolo[3,4-c]pyridine-5-...) Show SMILES FC(F)(F)CNC(=O)CN1CN(c2ccccc2)C2(CCN(CC2)C(=O)c2cc3cn[nH]c3cn2)C1=O Show InChI InChI=1S/C24H24F3N7O3/c25-24(26,27)14-29-20(35)13-33-15-34(17-4-2-1-3-5-17)23(22(33)37)6-8-32(9-7-23)21(36)18-10-16-11-30-31-19(16)12-28-18/h1-5,10-12H,6-9,13-15H2,(H,29,35)(H,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	43.7	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description This assay is based on the intracellular domain of the DDR1 protein which contains the kinase active site. The recombinant protein additionally carri...				US Patent US10435407 (2019) BindingDB Entry DOI: 10.7270/Q2MP55M4
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM372100 (N-(2-(2-((4-methylpiperazin-1-yl)methyl)phenyl)cyc...) Show SMILES CN1CCN(Cc2ccccc2C2CC2NC(=O)CN2CN(c3ccccc3)C3(CCN(CC3)C(=O)c3cnc4[nH]ncc4c3)C2=O)CC1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	45.6	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description This assay is based on the intracellular domain of the DDR1 protein which contains the kinase active site. The recombinant protein additionally carri...				US Patent US10435407 (2019) BindingDB Entry DOI: 10.7270/Q2MP55M4
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM372131 ((S)- or (R)-8-(1H-indazole-5-carbonyl)-3-(2-oxo-2-...) Show SMILES FC(F)(F)[C@@H]1CN(CCN1)C(=O)CN1CN(c2ccccc2)C2(CCN(CC2)C(=O)c2ccc3[nH]ncc3c2)C1=O |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	46.7	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description This assay is based on the intracellular domain of the DDR1 protein which contains the kinase active site. The recombinant protein additionally carri...				US Patent US10435407 (2019) BindingDB Entry DOI: 10.7270/Q2MP55M4
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM371880 (2-(4-Oxo-1-phenyl-8-(1H-pyrazolo[3,4-b]pyridine-5-...) Show SMILES O=C(CN1CN(c2ccccc2)C2(CCN(CC2)C(=O)c2cnc3[nH]ncc3c2)C1=O)Nc1ccccn1 Show InChI InChI=1S/C27H26N8O3/c36-23(31-22-8-4-5-11-28-22)17-34-18-35(21-6-2-1-3-7-21)27(26(34)38)9-12-33(13-10-27)25(37)20-14-19-16-30-32-24(19)29-15-20/h1-8,11,14-16H,9-10,12-13,17-18H2,(H,28,31,36)(H,29,30,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	49.4	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description This assay is based on the intracellular domain of the DDR1 protein which contains the kinase active site. The recombinant protein additionally carri...				US Patent US10435407 (2019) BindingDB Entry DOI: 10.7270/Q2MP55M4
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM414850 (2-(8-(Imidazo[1,5-a]pyridine-6-carbonyl)-4-oxo-1-p...) Show SMILES FC(F)(F)CNC(=O)CN1CN(c2ccccc2)C2(CCN(CC2)C(=O)c2ccc3cncn3c2)C1=O Show InChI InChI=1S/C25H25F3N6O3/c26-25(27,28)15-30-21(35)14-33-17-34(19-4-2-1-3-5-19)24(23(33)37)8-10-31(11-9-24)22(36)18-6-7-20-12-29-16-32(20)13-18/h1-7,12-13,16H,8-11,14-15,17H2,(H,30,35)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	54.6	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description This assay is based on the intracellular domain of the DDR1 protein which contains the kinase active site. The recombinant protein additionally carri...				US Patent US10435407 (2019) BindingDB Entry DOI: 10.7270/Q2MP55M4
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM371966 ((RS)-2-[8-(1H-Indazole-5-carbonyl)-2-methyl-4-oxo-...) Show SMILES CC1N(CC(=O)NCC(F)(F)F)C(=O)C2(CCN(CC2)C(=O)c2ccc3[nH]ncc3c2)N1c1ccccc1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	54.7	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description This assay is based on the intracellular domain of the DDR1 protein which contains the kinase active site. The recombinant protein additionally carri...				US Patent US10435407 (2019) BindingDB Entry DOI: 10.7270/Q2MP55M4
					More data for this Ligand-Target Pair

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