Compile Data Set for Download or QSAR

Found 60 hits Enz. Inhib. hit(s) with all data for entry = 50009813   

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))	BDBM50528539 (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	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.40	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.40	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50528539 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	188	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	188	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM410085 (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	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	309	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	309	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	326	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	326	n/a	n/a	n/a	n/a	n/a	n/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 (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)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	328	n/a	n/a	n/a	n/a	n/a	n/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 (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)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	328	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50260024 (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)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	442	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50260024 (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)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	442	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50532321 (CHEMBL4571618) Show SMILES CC(C)[C@H]1CN(Cc2cc(ccc12)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F)c1cncnc1 |r| Show InChI InChI=1S/C30H35F3N6O/c1-20(2)28-18-39(26-14-34-19-35-15-26)17-23-12-22(4-5-27(23)28)29(40)36-25-11-21(10-24(13-25)30(31,32)33)16-38-8-6-37(3)7-9-38/h4-5,10-15,19-20,28H,6-9,16-18H2,1-3H3,(H,36,40)/t28-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50532321 (CHEMBL4571618) Show SMILES CC(C)[C@H]1CN(Cc2cc(ccc12)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F)c1cncnc1 |r| Show InChI InChI=1S/C30H35F3N6O/c1-20(2)28-18-39(26-14-34-19-35-15-26)17-23-12-22(4-5-27(23)28)29(40)36-25-11-21(10-24(13-25)30(31,32)33)16-38-8-6-37(3)7-9-38/h4-5,10-15,19-20,28H,6-9,16-18H2,1-3H3,(H,36,40)/t28-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50532319 (CHEMBL4565209) 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-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50532319 (CHEMBL4565209) 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-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50532320 (CHEMBL4524615) Show SMILES CC(C)[C@@H]1CN(Cc2cc(ccc12)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F)c1cncnc1 |r| Show InChI InChI=1S/C30H35F3N6O/c1-20(2)28-18-39(26-14-34-19-35-15-26)17-23-12-22(4-5-27(23)28)29(40)36-25-11-21(10-24(13-25)30(31,32)33)16-38-8-6-37(3)7-9-38/h4-5,10-15,19-20,28H,6-9,16-18H2,1-3H3,(H,36,40)/t28-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50532324 (CHEMBL4542873) Show SMILES CN1CCN(Cc2cc(NC(=O)c3ccc4CCN(Cc4c3)c3ccccc3)cc(c2)C(F)(F)F)CC1 Show InChI InChI=1S/C29H31F3N4O/c1-34-11-13-35(14-12-34)19-21-15-25(29(30,31)32)18-26(16-21)33-28(37)23-8-7-22-9-10-36(20-24(22)17-23)27-5-3-2-4-6-27/h2-8,15-18H,9-14,19-20H2,1H3,(H,33,37)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50532324 (CHEMBL4542873) Show SMILES CN1CCN(Cc2cc(NC(=O)c3ccc4CCN(Cc4c3)c3ccccc3)cc(c2)C(F)(F)F)CC1 Show InChI InChI=1S/C29H31F3N4O/c1-34-11-13-35(14-12-34)19-21-15-25(29(30,31)32)18-26(16-21)33-28(37)23-8-7-22-9-10-36(20-24(22)17-23)27-5-3-2-4-6-27/h2-8,15-18H,9-14,19-20H2,1H3,(H,33,37)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50532320 (CHEMBL4524615) Show SMILES CC(C)[C@@H]1CN(Cc2cc(ccc12)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F)c1cncnc1 |r| Show InChI InChI=1S/C30H35F3N6O/c1-20(2)28-18-39(26-14-34-19-35-15-26)17-23-12-22(4-5-27(23)28)29(40)36-25-11-21(10-24(13-25)30(31,32)33)16-38-8-6-37(3)7-9-38/h4-5,10-15,19-20,28H,6-9,16-18H2,1-3H3,(H,36,40)/t28-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/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
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50260033 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human full length recombinant His-tagged ABL1 expressed in baculovirus infected Sf9 insect cells using tyrosine 2 peptide as substrate ...				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
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50532319 (CHEMBL4565209) 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-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human full length recombinant His-tagged ABL1 expressed in baculovirus infected Sf9 insect cells using tyrosine 2 peptide as substrate ...				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
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50532319 (CHEMBL4565209) 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-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human full length recombinant His-tagged ABL1 expressed in baculovirus infected Sf9 insect cells using tyrosine 2 peptide as substrate ...				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
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50532323 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human full length recombinant His-tagged ABL1 expressed in baculovirus infected Sf9 insect cells using tyrosine 2 peptide as substrate ...				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
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50260024 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human full length recombinant His-tagged ABL1 expressed in baculovirus infected Sf9 insect cells using tyrosine 2 peptide as substrate ...				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
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM410085 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human full length recombinant His-tagged ABL1 expressed in baculovirus infected Sf9 insect cells using tyrosine 2 peptide as substrate ...				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
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50532320 (CHEMBL4524615) Show SMILES CC(C)[C@@H]1CN(Cc2cc(ccc12)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F)c1cncnc1 |r| Show InChI InChI=1S/C30H35F3N6O/c1-20(2)28-18-39(26-14-34-19-35-15-26)17-23-12-22(4-5-27(23)28)29(40)36-25-11-21(10-24(13-25)30(31,32)33)16-38-8-6-37(3)7-9-38/h4-5,10-15,19-20,28H,6-9,16-18H2,1-3H3,(H,36,40)/t28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human full length recombinant His-tagged ABL1 expressed in baculovirus infected Sf9 insect cells using tyrosine 2 peptide as substrate ...				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
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50260033 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human full length recombinant His-tagged ABL1 expressed in baculovirus infected Sf9 insect cells using tyrosine 2 peptide as substrate ...				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
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50532324 (CHEMBL4542873) Show SMILES CN1CCN(Cc2cc(NC(=O)c3ccc4CCN(Cc4c3)c3ccccc3)cc(c2)C(F)(F)F)CC1 Show InChI InChI=1S/C29H31F3N4O/c1-34-11-13-35(14-12-34)19-21-15-25(29(30,31)32)18-26(16-21)33-28(37)23-8-7-22-9-10-36(20-24(22)17-23)27-5-3-2-4-6-27/h2-8,15-18H,9-14,19-20H2,1H3,(H,33,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human full length recombinant His-tagged ABL1 expressed in baculovirus infected Sf9 insect cells using tyrosine 2 peptide as substrate ...				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
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50532322 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human full length recombinant His-tagged ABL1 expressed in baculovirus infected Sf9 insect cells using tyrosine 2 peptide as substrate ...				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
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50532324 (CHEMBL4542873) Show SMILES CN1CCN(Cc2cc(NC(=O)c3ccc4CCN(Cc4c3)c3ccccc3)cc(c2)C(F)(F)F)CC1 Show InChI InChI=1S/C29H31F3N4O/c1-34-11-13-35(14-12-34)19-21-15-25(29(30,31)32)18-26(16-21)33-28(37)23-8-7-22-9-10-36(20-24(22)17-23)27-5-3-2-4-6-27/h2-8,15-18H,9-14,19-20H2,1H3,(H,33,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human full length recombinant His-tagged ABL1 expressed in baculovirus infected Sf9 insect cells using tyrosine 2 peptide as substrate ...				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
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50532321 (CHEMBL4571618) Show SMILES CC(C)[C@H]1CN(Cc2cc(ccc12)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F)c1cncnc1 |r| Show InChI InChI=1S/C30H35F3N6O/c1-20(2)28-18-39(26-14-34-19-35-15-26)17-23-12-22(4-5-27(23)28)29(40)36-25-11-21(10-24(13-25)30(31,32)33)16-38-8-6-37(3)7-9-38/h4-5,10-15,19-20,28H,6-9,16-18H2,1-3H3,(H,36,40)/t28-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human full length recombinant His-tagged ABL1 expressed in baculovirus infected Sf9 insect cells using tyrosine 2 peptide as substrate ...				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
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM410052 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human full length recombinant His-tagged ABL1 expressed in baculovirus infected Sf9 insect cells using tyrosine 2 peptide as substrate ...				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
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50532322 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human full length recombinant His-tagged ABL1 expressed in baculovirus infected Sf9 insect cells using tyrosine 2 peptide as substrate ...				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
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50532321 (CHEMBL4571618) Show SMILES CC(C)[C@H]1CN(Cc2cc(ccc12)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F)c1cncnc1 |r| Show InChI InChI=1S/C30H35F3N6O/c1-20(2)28-18-39(26-14-34-19-35-15-26)17-23-12-22(4-5-27(23)28)29(40)36-25-11-21(10-24(13-25)30(31,32)33)16-38-8-6-37(3)7-9-38/h4-5,10-15,19-20,28H,6-9,16-18H2,1-3H3,(H,36,40)/t28-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human full length recombinant His-tagged ABL1 expressed in baculovirus infected Sf9 insect cells using tyrosine 2 peptide as substrate ...				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
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM410052 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human full length recombinant His-tagged ABL1 expressed in baculovirus infected Sf9 insect cells using tyrosine 2 peptide as substrate ...				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
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50532323 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human full length recombinant His-tagged ABL1 expressed in baculovirus infected Sf9 insect cells using tyrosine 2 peptide as substrate ...				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
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50528539 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human full length recombinant His-tagged ABL1 expressed in baculovirus infected Sf9 insect cells using tyrosine 2 peptide as substrate ...				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
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50532320 (CHEMBL4524615) Show SMILES CC(C)[C@@H]1CN(Cc2cc(ccc12)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F)c1cncnc1 |r| Show InChI InChI=1S/C30H35F3N6O/c1-20(2)28-18-39(26-14-34-19-35-15-26)17-23-12-22(4-5-27(23)28)29(40)36-25-11-21(10-24(13-25)30(31,32)33)16-38-8-6-37(3)7-9-38/h4-5,10-15,19-20,28H,6-9,16-18H2,1-3H3,(H,36,40)/t28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human full length recombinant His-tagged ABL1 expressed in baculovirus infected Sf9 insect cells using tyrosine 2 peptide as substrate ...				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
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM410085 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human full length recombinant His-tagged ABL1 expressed in baculovirus infected Sf9 insect cells using tyrosine 2 peptide as substrate ...				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
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50528539 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human full length recombinant His-tagged ABL1 expressed in baculovirus infected Sf9 insect cells using tyrosine 2 peptide as substrate ...				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
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50260024 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human full length recombinant His-tagged ABL1 expressed in baculovirus infected Sf9 insect cells using tyrosine 2 peptide as substrate ...				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
Cyclin-dependent kinase 11B (Homo sapiens (Human))	BDBM50528539 (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	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Binding affinity to wild type human partial length CDK11 (1 to 360 residues) expressed in bacterial expression system preincubated for 1 hr measured ...				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
Ephrin type-A receptor 8 (Homo sapiens (Human))	BDBM50528539 (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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Binding affinity to wild type human partial length EPHA8 (608 to 920 residues) expressed in bacterial expression system preincubated for 1 hr measure...				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
NT-3 growth factor receptor (Homo sapiens (Human))	BDBM50528539 (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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Binding affinity to wild type human partial length TRKC (531 to 825 residues) expressed in mammalian expression system preincubated for 1 hr measured...				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
NT-3 growth factor receptor (Homo sapiens (Human))	BDBM50528539 (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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Binding affinity to wild type human partial length TRKC (531 to 825 residues) expressed in mammalian expression system preincubated for 1 hr measured...				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

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