Compile Data Set for Download or QSAR

Found 71 hits Enz. Inhib. hit(s) with all data for entry = 50001779   

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
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50368552 (CHEMBL4161036) Show SMILES CN1CCN(Cc2cc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4cnccn34)cc(c2)C(F)(F)F)CC1 Show InChI InChI=1S/C29H27F3N6O/c1-20-3-4-23(15-22(20)5-6-26-17-34-27-18-33-7-8-38(26)27)28(39)35-25-14-21(13-24(16-25)29(30,31)32)19-37-11-9-36(2)10-12-37/h3-4,7-8,13-18H,9-12,19H2,1-2H3,(H,35,39)	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	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Jinan University Curated by ChEMBL					Assay Description Inhibition of Abl1 (unknown origin) incubated for 1 hr in presence of Tyrosine-2 peptide substrate by FRET based Z'-Lyte assay				J Med Chem 61: 7977-7990 (2018) Article DOI: 10.1021/acs.jmedchem.8b01045 BindingDB Entry DOI: 10.7270/Q24Q7XHN
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM50368552 (CHEMBL4161036) Show SMILES CN1CCN(Cc2cc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4cnccn34)cc(c2)C(F)(F)F)CC1 Show InChI InChI=1S/C29H27F3N6O/c1-20-3-4-23(15-22(20)5-6-26-17-34-27-18-33-7-8-38(26)27)28(39)35-25-14-21(13-24(16-25)29(30,31)32)19-37-11-9-36(2)10-12-37/h3-4,7-8,13-18H,9-12,19H2,1-2H3,(H,35,39)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Jinan University Curated by ChEMBL					Assay Description Inhibition of DDR1 (unknown origin) incubated for 1 hr using fluorescein-poly-GAT substrate by TR-FRET based LANCE ULTRA kinase assay				J Med Chem 61: 7977-7990 (2018) Article DOI: 10.1021/acs.jmedchem.8b01045 BindingDB Entry DOI: 10.7270/Q24Q7XHN
					More data for this Ligand-Target Pair
Discoidin domain-containing receptor 2 (Homo sapiens (Human))	BDBM50368552 (CHEMBL4161036) Show SMILES CN1CCN(Cc2cc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4cnccn34)cc(c2)C(F)(F)F)CC1 Show InChI InChI=1S/C29H27F3N6O/c1-20-3-4-23(15-22(20)5-6-26-17-34-27-18-33-7-8-38(26)27)28(39)35-25-14-21(13-24(16-25)29(30,31)32)19-37-11-9-36(2)10-12-37/h3-4,7-8,13-18H,9-12,19H2,1-2H3,(H,35,39)	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	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Jinan University Curated by ChEMBL					Assay Description Inhibition of DDR2 (unknown origin) incubated for 1 hr using fluorescein-poly-GAT substrate by TR-FRET based LANCE ULTRA kinase assay				J Med Chem 61: 7977-7990 (2018) Article DOI: 10.1021/acs.jmedchem.8b01045 BindingDB Entry DOI: 10.7270/Q24Q7XHN
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM50368455 (CHEMBL4175086) Show SMILES CCc1ccc(cc1C#Cc1cnc2cnccn12)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F Show InChI InChI=1S/C30H29F3N6O/c1-3-22-4-5-24(16-23(22)6-7-27-18-35-28-19-34-8-9-39(27)28)29(40)36-26-15-21(14-25(17-26)30(31,32)33)20-38-12-10-37(2)11-13-38/h4-5,8-9,14-19H,3,10-13,20H2,1-2H3,(H,36,40)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Jinan University Curated by ChEMBL					Assay Description Inhibition of DDR1 (unknown origin) incubated for 1 hr using fluorescein-poly-GAT substrate by TR-FRET based LANCE ULTRA kinase assay				J Med Chem 61: 7977-7990 (2018) Article DOI: 10.1021/acs.jmedchem.8b01045 BindingDB Entry DOI: 10.7270/Q24Q7XHN
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM50368547 (CHEMBL4164448) Show SMILES CCc1ccc(cc1C#Cc1cnc2cccnn12)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F Show InChI InChI=1S/C30H29F3N6O/c1-3-22-6-7-24(17-23(22)8-9-27-19-34-28-5-4-10-35-39(27)28)29(40)36-26-16-21(15-25(18-26)30(31,32)33)20-38-13-11-37(2)12-14-38/h4-7,10,15-19H,3,11-14,20H2,1-2H3,(H,36,40)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Jinan University Curated by ChEMBL					Assay Description Inhibition of DDR1 (unknown origin) incubated for 1 hr using fluorescein-poly-GAT substrate by TR-FRET based LANCE ULTRA kinase assay				J Med Chem 61: 7977-7990 (2018) Article DOI: 10.1021/acs.jmedchem.8b01045 BindingDB Entry DOI: 10.7270/Q24Q7XHN
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM50368600 (CHEMBL4164030) Show SMILES CCc1ccc(cc1C#Cc1cnc(N)nc1)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F Show InChI InChI=1S/C28H29F3N6O/c1-3-21-6-7-23(14-22(21)5-4-19-16-33-27(32)34-17-19)26(38)35-25-13-20(12-24(15-25)28(29,30)31)18-37-10-8-36(2)9-11-37/h6-7,12-17H,3,8-11,18H2,1-2H3,(H,35,38)(H2,32,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Jinan University Curated by ChEMBL					Assay Description Inhibition of DDR1 (unknown origin) incubated for 1 hr using fluorescein-poly-GAT substrate by TR-FRET based LANCE ULTRA kinase assay				J Med Chem 61: 7977-7990 (2018) Article DOI: 10.1021/acs.jmedchem.8b01045 BindingDB Entry DOI: 10.7270/Q24Q7XHN
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM50368573 (CHEMBL4174682) Show SMILES CCc1ccc(cc1C#Cc1cnc(NC)nc1)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F Show InChI InChI=1S/C29H31F3N6O/c1-4-22-7-8-24(15-23(22)6-5-20-17-34-28(33-2)35-18-20)27(39)36-26-14-21(13-25(16-26)29(30,31)32)19-38-11-9-37(3)10-12-38/h7-8,13-18H,4,9-12,19H2,1-3H3,(H,36,39)(H,33,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Jinan University Curated by ChEMBL					Assay Description Inhibition of DDR1 (unknown origin) incubated for 1 hr using fluorescein-poly-GAT substrate by TR-FRET based LANCE ULTRA kinase assay				J Med Chem 61: 7977-7990 (2018) Article DOI: 10.1021/acs.jmedchem.8b01045 BindingDB Entry DOI: 10.7270/Q24Q7XHN
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM50368541 (CHEMBL4171640) Show SMILES CCc1ccc(cc1C#Cc1cnc2ccccn12)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F Show InChI InChI=1S/C31H30F3N5O/c1-3-23-7-8-25(18-24(23)9-10-28-20-35-29-6-4-5-11-39(28)29)30(40)36-27-17-22(16-26(19-27)31(32,33)34)21-38-14-12-37(2)13-15-38/h4-8,11,16-20H,3,12-15,21H2,1-2H3,(H,36,40)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.20	n/a	n/a	n/a	n/a	n/a	n/a
Jinan University Curated by ChEMBL					Assay Description Inhibition of DDR1 (unknown origin) incubated for 1 hr using fluorescein-poly-GAT substrate by TR-FRET based LANCE ULTRA kinase assay				J Med Chem 61: 7977-7990 (2018) Article DOI: 10.1021/acs.jmedchem.8b01045 BindingDB Entry DOI: 10.7270/Q24Q7XHN
					More data for this Ligand-Target Pair
Discoidin domain-containing receptor 2 (Homo sapiens (Human))	BDBM50368455 (CHEMBL4175086) Show SMILES CCc1ccc(cc1C#Cc1cnc2cnccn12)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F Show InChI InChI=1S/C30H29F3N6O/c1-3-22-4-5-24(16-23(22)6-7-27-18-35-28-19-34-8-9-39(27)28)29(40)36-26-15-21(14-25(17-26)30(31,32)33)20-38-12-10-37(2)11-13-38/h4-5,8-9,14-19H,3,10-13,20H2,1-2H3,(H,36,40)	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	7	n/a	n/a	n/a	n/a	n/a	n/a
Jinan University Curated by ChEMBL					Assay Description Inhibition of DDR2 (unknown origin) incubated for 1 hr using fluorescein-poly-GAT substrate by TR-FRET based LANCE ULTRA kinase assay				J Med Chem 61: 7977-7990 (2018) Article DOI: 10.1021/acs.jmedchem.8b01045 BindingDB Entry DOI: 10.7270/Q24Q7XHN
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM50368551 (CHEMBL4167877) Show SMILES CCc1ccc(cc1C#Cc1cnc(C)n1C)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F Show InChI InChI=1S/C29H32F3N5O/c1-5-22-6-7-24(16-23(22)8-9-27-18-33-20(2)36(27)4)28(38)34-26-15-21(14-25(17-26)29(30,31)32)19-37-12-10-35(3)11-13-37/h6-7,14-18H,5,10-13,19H2,1-4H3,(H,34,38)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
Jinan University Curated by ChEMBL					Assay Description Inhibition of DDR1 (unknown origin) incubated for 1 hr using fluorescein-poly-GAT substrate by TR-FRET based LANCE ULTRA kinase assay				J Med Chem 61: 7977-7990 (2018) Article DOI: 10.1021/acs.jmedchem.8b01045 BindingDB Entry DOI: 10.7270/Q24Q7XHN
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM50368453 (CHEMBL4159558) Show SMILES CCc1ccc(cc1C#Cc1cncnc1)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F Show InChI InChI=1S/C28H28F3N5O/c1-3-22-6-7-24(14-23(22)5-4-20-16-32-19-33-17-20)27(37)34-26-13-21(12-25(15-26)28(29,30)31)18-36-10-8-35(2)9-11-36/h6-7,12-17,19H,3,8-11,18H2,1-2H3,(H,34,37)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.40	n/a	n/a	n/a	n/a	n/a	n/a
Jinan University Curated by ChEMBL					Assay Description Inhibition of DDR1 (unknown origin) incubated for 1 hr using fluorescein-poly-GAT substrate by TR-FRET based LANCE ULTRA kinase assay				J Med Chem 61: 7977-7990 (2018) Article DOI: 10.1021/acs.jmedchem.8b01045 BindingDB Entry DOI: 10.7270/Q24Q7XHN
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM50368452 (CHEMBL4168305) Show SMILES CC(C)c1ccc(cc1C#Cc1cnc2cnccn12)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F Show InChI InChI=1S/C31H31F3N6O/c1-21(2)28-7-5-24(16-23(28)4-6-27-18-36-29-19-35-8-9-40(27)29)30(41)37-26-15-22(14-25(17-26)31(32,33)34)20-39-12-10-38(3)11-13-39/h5,7-9,14-19,21H,10-13,20H2,1-3H3,(H,37,41)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	9.40	n/a	n/a	n/a	n/a	n/a	n/a
Jinan University Curated by ChEMBL					Assay Description Inhibition of DDR1 (unknown origin) incubated for 1 hr using fluorescein-poly-GAT substrate by TR-FRET based LANCE ULTRA kinase assay				J Med Chem 61: 7977-7990 (2018) Article DOI: 10.1021/acs.jmedchem.8b01045 BindingDB Entry DOI: 10.7270/Q24Q7XHN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50368455 (CHEMBL4175086) Show SMILES CCc1ccc(cc1C#Cc1cnc2cnccn12)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F Show InChI InChI=1S/C30H29F3N6O/c1-3-22-4-5-24(16-23(22)6-7-27-18-35-28-19-34-8-9-39(27)28)29(40)36-26-15-21(14-25(17-26)30(31,32)33)20-38-12-10-37(2)11-13-38/h4-5,8-9,14-19H,3,10-13,20H2,1-2H3,(H,36,40)	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	9.40	n/a	n/a	n/a	n/a	n/a	n/a
Jinan University Curated by ChEMBL					Assay Description Inhibition of Abl1 (unknown origin) incubated for 1 hr in presence of Tyrosine-2 peptide substrate by FRET based Z'-Lyte assay				J Med Chem 61: 7977-7990 (2018) Article DOI: 10.1021/acs.jmedchem.8b01045 BindingDB Entry DOI: 10.7270/Q24Q7XHN
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM50430839 (CHEMBL2336015) Show SMILES CCc1ccc(cc1C#Cc1cnc2ccnn2c1)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F Show InChI InChI=1S/C30H29F3N6O/c1-3-23-6-7-25(16-24(23)5-4-21-18-34-28-8-9-35-39(28)20-21)29(40)36-27-15-22(14-26(17-27)30(31,32)33)19-38-12-10-37(2)11-13-38/h6-9,14-18,20H,3,10-13,19H2,1-2H3,(H,36,40)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.70	n/a	n/a	n/a	n/a	n/a	n/a
Jinan University Curated by ChEMBL					Assay Description Inhibition of DDR1 (unknown origin) incubated for 1 hr using fluorescein-poly-GAT substrate by TR-FRET based LANCE ULTRA kinase assay				J Med Chem 61: 7977-7990 (2018) Article DOI: 10.1021/acs.jmedchem.8b01045 BindingDB Entry DOI: 10.7270/Q24Q7XHN
					More data for this Ligand-Target Pair
Discoidin domain-containing receptor 2 (Homo sapiens (Human))	BDBM50368541 (CHEMBL4171640) Show SMILES CCc1ccc(cc1C#Cc1cnc2ccccn12)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F Show InChI InChI=1S/C31H30F3N5O/c1-3-23-7-8-25(18-24(23)9-10-28-20-35-29-6-4-5-11-39(28)29)30(40)36-27-17-22(16-26(19-27)31(32,33)34)21-38-14-12-37(2)13-15-38/h4-8,11,16-20H,3,12-15,21H2,1-2H3,(H,36,40)	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	10	n/a	n/a	n/a	n/a	n/a	n/a
Jinan University Curated by ChEMBL					Assay Description Inhibition of DDR2 (unknown origin) incubated for 1 hr using fluorescein-poly-GAT substrate by TR-FRET based LANCE ULTRA kinase assay				J Med Chem 61: 7977-7990 (2018) Article DOI: 10.1021/acs.jmedchem.8b01045 BindingDB Entry DOI: 10.7270/Q24Q7XHN
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM50368555 (CHEMBL4172767) Show SMILES CC(C)c1ccc(cc1C#Cc1cnc2cccnn12)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F Show InChI InChI=1S/C31H31F3N6O/c1-21(2)28-9-7-24(17-23(28)6-8-27-19-35-29-5-4-10-36-40(27)29)30(41)37-26-16-22(15-25(18-26)31(32,33)34)20-39-13-11-38(3)12-14-39/h4-5,7,9-10,15-19,21H,11-14,20H2,1-3H3,(H,37,41)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Jinan University Curated by ChEMBL					Assay Description Inhibition of DDR1 (unknown origin) incubated for 1 hr using fluorescein-poly-GAT substrate by TR-FRET based LANCE ULTRA kinase assay				J Med Chem 61: 7977-7990 (2018) Article DOI: 10.1021/acs.jmedchem.8b01045 BindingDB Entry DOI: 10.7270/Q24Q7XHN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50368547 (CHEMBL4164448) Show SMILES CCc1ccc(cc1C#Cc1cnc2cccnn12)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F Show InChI InChI=1S/C30H29F3N6O/c1-3-22-6-7-24(17-23(22)8-9-27-19-34-28-5-4-10-35-39(27)28)29(40)36-26-16-21(15-25(18-26)30(31,32)33)20-38-13-11-37(2)12-14-38/h4-7,10,15-19H,3,11-14,20H2,1-2H3,(H,36,40)	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	12	n/a	n/a	n/a	n/a	n/a	n/a
Jinan University Curated by ChEMBL					Assay Description Inhibition of Abl1 (unknown origin) incubated for 1 hr in presence of Tyrosine-2 peptide substrate by FRET based Z'-Lyte assay				J Med Chem 61: 7977-7990 (2018) Article DOI: 10.1021/acs.jmedchem.8b01045 BindingDB Entry DOI: 10.7270/Q24Q7XHN
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM50368550 (CHEMBL4167237) Show SMILES CC(C)c1ccc(cc1C#Cc1cnc2ccccn12)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F Show InChI InChI=1S/C32H32F3N5O/c1-22(2)29-10-8-25(18-24(29)7-9-28-20-36-30-6-4-5-11-40(28)30)31(41)37-27-17-23(16-26(19-27)32(33,34)35)21-39-14-12-38(3)13-15-39/h4-6,8,10-11,16-20,22H,12-15,21H2,1-3H3,(H,37,41)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Jinan University Curated by ChEMBL					Assay Description Inhibition of DDR1 (unknown origin) incubated for 1 hr using fluorescein-poly-GAT substrate by TR-FRET based LANCE ULTRA kinase assay				J Med Chem 61: 7977-7990 (2018) Article DOI: 10.1021/acs.jmedchem.8b01045 BindingDB Entry DOI: 10.7270/Q24Q7XHN
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM50368556 (CHEMBL4176145) Show SMILES CN1CCN(Cc2cc(NC(=O)c3ccc(C4CC4)c(c3)C#Cc3cnc4cnccn34)cc(c2)C(F)(F)F)CC1 Show InChI InChI=1S/C31H29F3N6O/c1-38-10-12-39(13-11-38)20-21-14-25(31(32,33)34)17-26(15-21)37-30(41)24-5-7-28(22-2-3-22)23(16-24)4-6-27-18-36-29-19-35-8-9-40(27)29/h5,7-9,14-19,22H,2-3,10-13,20H2,1H3,(H,37,41)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Jinan University Curated by ChEMBL					Assay Description Inhibition of DDR1 (unknown origin) incubated for 1 hr using fluorescein-poly-GAT substrate by TR-FRET based LANCE ULTRA kinase assay				J Med Chem 61: 7977-7990 (2018) Article DOI: 10.1021/acs.jmedchem.8b01045 BindingDB Entry DOI: 10.7270/Q24Q7XHN
					More data for this Ligand-Target Pair
Discoidin domain-containing receptor 2 (Homo sapiens (Human))	BDBM50368547 (CHEMBL4164448) Show SMILES CCc1ccc(cc1C#Cc1cnc2cccnn12)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F Show InChI InChI=1S/C30H29F3N6O/c1-3-22-6-7-24(17-23(22)8-9-27-19-34-28-5-4-10-35-39(27)28)29(40)36-26-16-21(15-25(18-26)30(31,32)33)20-38-13-11-37(2)12-14-38/h4-7,10,15-19H,3,11-14,20H2,1-2H3,(H,36,40)	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	13	n/a	n/a	n/a	n/a	n/a	n/a
Jinan University Curated by ChEMBL					Assay Description Inhibition of DDR2 (unknown origin) incubated for 1 hr using fluorescein-poly-GAT substrate by TR-FRET based LANCE ULTRA kinase assay				J Med Chem 61: 7977-7990 (2018) Article DOI: 10.1021/acs.jmedchem.8b01045 BindingDB Entry DOI: 10.7270/Q24Q7XHN
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM50368548 (CHEMBL4159956) Show SMILES CCc1ccc(cc1C#Cc1cncn1C)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F Show InChI InChI=1S/C28H30F3N5O/c1-4-21-5-6-23(15-22(21)7-8-26-17-32-19-35(26)3)27(37)33-25-14-20(13-24(16-25)28(29,30)31)18-36-11-9-34(2)10-12-36/h5-6,13-17,19H,4,9-12,18H2,1-3H3,(H,33,37)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Jinan University Curated by ChEMBL					Assay Description Inhibition of DDR1 (unknown origin) incubated for 1 hr using fluorescein-poly-GAT substrate by TR-FRET based LANCE ULTRA kinase assay				J Med Chem 61: 7977-7990 (2018) Article DOI: 10.1021/acs.jmedchem.8b01045 BindingDB Entry DOI: 10.7270/Q24Q7XHN
					More data for this Ligand-Target Pair
NT-3 growth factor receptor (Homo sapiens (Human))	BDBM50368452 (CHEMBL4168305) Show SMILES CC(C)c1ccc(cc1C#Cc1cnc2cnccn12)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F Show InChI InChI=1S/C31H31F3N6O/c1-21(2)28-7-5-24(16-23(28)4-6-27-18-36-29-19-35-8-9-40(27)29)30(41)37-26-15-22(14-25(17-26)31(32,33)34)20-39-12-10-38(3)11-13-39/h5,7-9,14-19,21H,10-13,20H2,1-3H3,(H,37,41)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Jinan University Curated by ChEMBL					Assay Description Inhibition of TrkC (unknown origin) by TR-FRET based LANCE ULTRA kinase assay				J Med Chem 61: 7977-7990 (2018) Article DOI: 10.1021/acs.jmedchem.8b01045 BindingDB Entry DOI: 10.7270/Q24Q7XHN
					More data for this Ligand-Target Pair
Discoidin domain-containing receptor 2 (Homo sapiens (Human))	BDBM50368452 (CHEMBL4168305) Show SMILES CC(C)c1ccc(cc1C#Cc1cnc2cnccn12)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F Show InChI InChI=1S/C31H31F3N6O/c1-21(2)28-7-5-24(16-23(28)4-6-27-18-36-29-19-35-8-9-40(27)29)30(41)37-26-15-22(14-25(17-26)31(32,33)34)20-39-12-10-38(3)11-13-39/h5,7-9,14-19,21H,10-13,20H2,1-3H3,(H,37,41)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Jinan University Curated by ChEMBL					Assay Description Inhibition of DDR2 (unknown origin) incubated for 1 hr using fluorescein-poly-GAT substrate by TR-FRET based LANCE ULTRA kinase assay				J Med Chem 61: 7977-7990 (2018) Article DOI: 10.1021/acs.jmedchem.8b01045 BindingDB Entry DOI: 10.7270/Q24Q7XHN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50368600 (CHEMBL4164030) Show SMILES CCc1ccc(cc1C#Cc1cnc(N)nc1)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F Show InChI InChI=1S/C28H29F3N6O/c1-3-21-6-7-23(14-22(21)5-4-19-16-33-27(32)34-17-19)26(38)35-25-13-20(12-24(15-25)28(29,30)31)18-37-10-8-36(2)9-11-37/h6-7,12-17H,3,8-11,18H2,1-2H3,(H,35,38)(H2,32,33,34)	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	21	n/a	n/a	n/a	n/a	n/a	n/a
Jinan University Curated by ChEMBL					Assay Description Inhibition of Abl1 (unknown origin) incubated for 1 hr in presence of Tyrosine-2 peptide substrate by FRET based Z'-Lyte assay				J Med Chem 61: 7977-7990 (2018) Article DOI: 10.1021/acs.jmedchem.8b01045 BindingDB Entry DOI: 10.7270/Q24Q7XHN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50368541 (CHEMBL4171640) Show SMILES CCc1ccc(cc1C#Cc1cnc2ccccn12)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F Show InChI InChI=1S/C31H30F3N5O/c1-3-23-7-8-25(18-24(23)9-10-28-20-35-29-6-4-5-11-39(28)29)30(40)36-27-17-22(16-26(19-27)31(32,33)34)21-38-14-12-37(2)13-15-38/h4-8,11,16-20H,3,12-15,21H2,1-2H3,(H,36,40)	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	21	n/a	n/a	n/a	n/a	n/a	n/a
Jinan University Curated by ChEMBL					Assay Description Inhibition of Abl1 (unknown origin) incubated for 1 hr in presence of Tyrosine-2 peptide substrate by FRET based Z'-Lyte assay				J Med Chem 61: 7977-7990 (2018) Article DOI: 10.1021/acs.jmedchem.8b01045 BindingDB Entry DOI: 10.7270/Q24Q7XHN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50368573 (CHEMBL4174682) Show SMILES CCc1ccc(cc1C#Cc1cnc(NC)nc1)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F Show InChI InChI=1S/C29H31F3N6O/c1-4-22-7-8-24(15-23(22)6-5-20-17-34-28(33-2)35-18-20)27(39)36-26-14-21(13-25(16-26)29(30,31)32)19-38-11-9-37(3)10-12-38/h7-8,13-18H,4,9-12,19H2,1-3H3,(H,36,39)(H,33,34,35)	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	30	n/a	n/a	n/a	n/a	n/a	n/a
Jinan University Curated by ChEMBL					Assay Description Inhibition of Abl1 (unknown origin) incubated for 1 hr in presence of Tyrosine-2 peptide substrate by FRET based Z'-Lyte assay				J Med Chem 61: 7977-7990 (2018) Article DOI: 10.1021/acs.jmedchem.8b01045 BindingDB Entry DOI: 10.7270/Q24Q7XHN
					More data for this Ligand-Target Pair
Discoidin domain-containing receptor 2 (Homo sapiens (Human))	BDBM50368551 (CHEMBL4167877) Show SMILES CCc1ccc(cc1C#Cc1cnc(C)n1C)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F Show InChI InChI=1S/C29H32F3N5O/c1-5-22-6-7-24(16-23(22)8-9-27-18-33-20(2)36(27)4)28(38)34-26-15-21(14-25(17-26)29(30,31)32)19-37-12-10-35(3)11-13-37/h6-7,14-18H,5,10-13,19H2,1-4H3,(H,34,38)	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	34	n/a	n/a	n/a	n/a	n/a	n/a
Jinan University Curated by ChEMBL					Assay Description Inhibition of DDR2 (unknown origin) incubated for 1 hr using fluorescein-poly-GAT substrate by TR-FRET based LANCE ULTRA kinase assay				J Med Chem 61: 7977-7990 (2018) Article DOI: 10.1021/acs.jmedchem.8b01045 BindingDB Entry DOI: 10.7270/Q24Q7XHN
					More data for this Ligand-Target Pair
Discoidin domain-containing receptor 2 (Homo sapiens (Human))	BDBM50368556 (CHEMBL4176145) Show SMILES CN1CCN(Cc2cc(NC(=O)c3ccc(C4CC4)c(c3)C#Cc3cnc4cnccn34)cc(c2)C(F)(F)F)CC1 Show InChI InChI=1S/C31H29F3N6O/c1-38-10-12-39(13-11-38)20-21-14-25(31(32,33)34)17-26(15-21)37-30(41)24-5-7-28(22-2-3-22)23(16-24)4-6-27-18-36-29-19-35-8-9-40(27)29/h5,7-9,14-19,22H,2-3,10-13,20H2,1H3,(H,37,41)	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	40	n/a	n/a	n/a	n/a	n/a	n/a
Jinan University Curated by ChEMBL					Assay Description Inhibition of DDR2 (unknown origin) incubated for 1 hr using fluorescein-poly-GAT substrate by TR-FRET based LANCE ULTRA kinase assay				J Med Chem 61: 7977-7990 (2018) Article DOI: 10.1021/acs.jmedchem.8b01045 BindingDB Entry DOI: 10.7270/Q24Q7XHN
					More data for this Ligand-Target Pair
BDNF/NT-3 growth factors receptor (Homo sapiens (Human))	BDBM50368452 (CHEMBL4168305) Show SMILES CC(C)c1ccc(cc1C#Cc1cnc2cnccn12)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F Show InChI InChI=1S/C31H31F3N6O/c1-21(2)28-7-5-24(16-23(28)4-6-27-18-36-29-19-35-8-9-40(27)29)30(41)37-26-15-22(14-25(17-26)31(32,33)34)20-39-12-10-38(3)11-13-39/h5,7-9,14-19,21H,10-13,20H2,1-3H3,(H,37,41)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Jinan University Curated by ChEMBL					Assay Description Inhibition of TrkB (unknown origin) by TR-FRET based LANCE ULTRA kinase assay				J Med Chem 61: 7977-7990 (2018) Article DOI: 10.1021/acs.jmedchem.8b01045 BindingDB Entry DOI: 10.7270/Q24Q7XHN
					More data for this Ligand-Target Pair
Discoidin domain-containing receptor 2 (Homo sapiens (Human))	BDBM50368600 (CHEMBL4164030) Show SMILES CCc1ccc(cc1C#Cc1cnc(N)nc1)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F Show InChI InChI=1S/C28H29F3N6O/c1-3-21-6-7-23(14-22(21)5-4-19-16-33-27(32)34-17-19)26(38)35-25-13-20(12-24(15-25)28(29,30)31)18-37-10-8-36(2)9-11-37/h6-7,12-17H,3,8-11,18H2,1-2H3,(H,35,38)(H2,32,33,34)	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	45	n/a	n/a	n/a	n/a	n/a	n/a
Jinan University Curated by ChEMBL					Assay Description Inhibition of DDR2 (unknown origin) incubated for 1 hr using fluorescein-poly-GAT substrate by TR-FRET based LANCE ULTRA kinase assay				J Med Chem 61: 7977-7990 (2018) Article DOI: 10.1021/acs.jmedchem.8b01045 BindingDB Entry DOI: 10.7270/Q24Q7XHN
					More data for this Ligand-Target Pair
Discoidin domain-containing receptor 2 (Homo sapiens (Human))	BDBM50368555 (CHEMBL4172767) Show SMILES CC(C)c1ccc(cc1C#Cc1cnc2cccnn12)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F Show InChI InChI=1S/C31H31F3N6O/c1-21(2)28-9-7-24(17-23(28)6-8-27-19-35-29-5-4-10-36-40(27)29)30(41)37-26-16-22(15-25(18-26)31(32,33)34)20-39-13-11-38(3)12-14-39/h4-5,7,9-10,15-19,21H,11-14,20H2,1-3H3,(H,37,41)	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	47	n/a	n/a	n/a	n/a	n/a	n/a
Jinan University Curated by ChEMBL					Assay Description Inhibition of DDR2 (unknown origin) incubated for 1 hr using fluorescein-poly-GAT substrate by TR-FRET based LANCE ULTRA kinase assay				J Med Chem 61: 7977-7990 (2018) Article DOI: 10.1021/acs.jmedchem.8b01045 BindingDB Entry DOI: 10.7270/Q24Q7XHN
					More data for this Ligand-Target Pair
Discoidin domain-containing receptor 2 (Homo sapiens (Human))	BDBM50368550 (CHEMBL4167237) Show SMILES CC(C)c1ccc(cc1C#Cc1cnc2ccccn12)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F Show InChI InChI=1S/C32H32F3N5O/c1-22(2)29-10-8-25(18-24(29)7-9-28-20-36-30-6-4-5-11-40(28)30)31(41)37-27-17-23(16-26(19-27)32(33,34)35)21-39-14-12-38(3)13-15-39/h4-6,8,10-11,16-20,22H,12-15,21H2,1-3H3,(H,37,41)	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	61	n/a	n/a	n/a	n/a	n/a	n/a
Jinan University Curated by ChEMBL					Assay Description Inhibition of DDR2 (unknown origin) incubated for 1 hr using fluorescein-poly-GAT substrate by TR-FRET based LANCE ULTRA kinase assay				J Med Chem 61: 7977-7990 (2018) Article DOI: 10.1021/acs.jmedchem.8b01045 BindingDB Entry DOI: 10.7270/Q24Q7XHN
					More data for this Ligand-Target Pair
Discoidin domain-containing receptor 2 (Homo sapiens (Human))	BDBM50368573 (CHEMBL4174682) Show SMILES CCc1ccc(cc1C#Cc1cnc(NC)nc1)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F Show InChI InChI=1S/C29H31F3N6O/c1-4-22-7-8-24(15-23(22)6-5-20-17-34-28(33-2)35-18-20)27(39)36-26-14-21(13-25(16-26)29(30,31)32)19-38-11-9-37(3)10-12-38/h7-8,13-18H,4,9-12,19H2,1-3H3,(H,36,39)(H,33,34,35)	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	83	n/a	n/a	n/a	n/a	n/a	n/a
Jinan University Curated by ChEMBL					Assay Description Inhibition of DDR2 (unknown origin) incubated for 1 hr using fluorescein-poly-GAT substrate by TR-FRET based LANCE ULTRA kinase assay				J Med Chem 61: 7977-7990 (2018) Article DOI: 10.1021/acs.jmedchem.8b01045 BindingDB Entry DOI: 10.7270/Q24Q7XHN
					More data for this Ligand-Target Pair
Discoidin domain-containing receptor 2 (Homo sapiens (Human))	BDBM50368548 (CHEMBL4159956) Show SMILES CCc1ccc(cc1C#Cc1cncn1C)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F Show InChI InChI=1S/C28H30F3N5O/c1-4-21-5-6-23(15-22(21)7-8-26-17-32-19-35(26)3)27(37)33-25-14-20(13-24(16-25)28(29,30)31)18-36-11-9-34(2)10-12-36/h5-6,13-17,19H,4,9-12,18H2,1-3H3,(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	94	n/a	n/a	n/a	n/a	n/a	n/a
Jinan University Curated by ChEMBL					Assay Description Inhibition of DDR2 (unknown origin) incubated for 1 hr using fluorescein-poly-GAT substrate by TR-FRET based LANCE ULTRA kinase assay				J Med Chem 61: 7977-7990 (2018) Article DOI: 10.1021/acs.jmedchem.8b01045 BindingDB Entry DOI: 10.7270/Q24Q7XHN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50368551 (CHEMBL4167877) Show SMILES CCc1ccc(cc1C#Cc1cnc(C)n1C)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F Show InChI InChI=1S/C29H32F3N5O/c1-5-22-6-7-24(16-23(22)8-9-27-18-33-20(2)36(27)4)28(38)34-26-15-21(14-25(17-26)29(30,31)32)19-37-12-10-35(3)11-13-37/h6-7,14-18H,5,10-13,19H2,1-4H3,(H,34,38)	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	97	n/a	n/a	n/a	n/a	n/a	n/a
Jinan University Curated by ChEMBL					Assay Description Inhibition of Abl1 (unknown origin) incubated for 1 hr in presence of Tyrosine-2 peptide substrate by FRET based Z'-Lyte assay				J Med Chem 61: 7977-7990 (2018) Article DOI: 10.1021/acs.jmedchem.8b01045 BindingDB Entry DOI: 10.7270/Q24Q7XHN
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM50368549 (CHEMBL4171235) Show SMILES CCc1ccc(cc1C#Cc1ccoc1)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F Show InChI InChI=1S/C28H28F3N3O2/c1-3-22-6-7-24(16-23(22)5-4-20-8-13-36-19-20)27(35)32-26-15-21(14-25(17-26)28(29,30)31)18-34-11-9-33(2)10-12-34/h6-8,13-17,19H,3,9-12,18H2,1-2H3,(H,32,35)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	151	n/a	n/a	n/a	n/a	n/a	n/a
Jinan University Curated by ChEMBL					Assay Description Inhibition of DDR1 (unknown origin) incubated for 1 hr using fluorescein-poly-GAT substrate by TR-FRET based LANCE ULTRA kinase assay				J Med Chem 61: 7977-7990 (2018) Article DOI: 10.1021/acs.jmedchem.8b01045 BindingDB Entry DOI: 10.7270/Q24Q7XHN
					More data for this Ligand-Target Pair
Discoidin domain-containing receptor 2 (Homo sapiens (Human))	BDBM50430839 (CHEMBL2336015) Show SMILES CCc1ccc(cc1C#Cc1cnc2ccnn2c1)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F Show InChI InChI=1S/C30H29F3N6O/c1-3-23-6-7-25(16-24(23)5-4-21-18-34-28-8-9-35-39(28)20-21)29(40)36-27-15-22(14-26(17-27)30(31,32)33)19-38-12-10-37(2)11-13-38/h6-9,14-18,20H,3,10-13,19H2,1-2H3,(H,36,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	175	n/a	n/a	n/a	n/a	n/a	n/a
Jinan University Curated by ChEMBL					Assay Description Inhibition of DDR2 (unknown origin) incubated for 1 hr using fluorescein-poly-GAT substrate by TR-FRET based LANCE ULTRA kinase assay				J Med Chem 61: 7977-7990 (2018) Article DOI: 10.1021/acs.jmedchem.8b01045 BindingDB Entry DOI: 10.7270/Q24Q7XHN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50368556 (CHEMBL4176145) Show SMILES CN1CCN(Cc2cc(NC(=O)c3ccc(C4CC4)c(c3)C#Cc3cnc4cnccn34)cc(c2)C(F)(F)F)CC1 Show InChI InChI=1S/C31H29F3N6O/c1-38-10-12-39(13-11-38)20-21-14-25(31(32,33)34)17-26(15-21)37-30(41)24-5-7-28(22-2-3-22)23(16-24)4-6-27-18-36-29-19-35-8-9-40(27)29/h5,7-9,14-19,22H,2-3,10-13,20H2,1H3,(H,37,41)	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	202	n/a	n/a	n/a	n/a	n/a	n/a
Jinan University Curated by ChEMBL					Assay Description Inhibition of Abl1 (unknown origin) incubated for 1 hr in presence of Tyrosine-2 peptide substrate by FRET based Z'-Lyte assay				J Med Chem 61: 7977-7990 (2018) Article DOI: 10.1021/acs.jmedchem.8b01045 BindingDB Entry DOI: 10.7270/Q24Q7XHN
					More data for this Ligand-Target Pair
Discoidin domain-containing receptor 2 (Homo sapiens (Human))	BDBM50368453 (CHEMBL4159558) Show SMILES CCc1ccc(cc1C#Cc1cncnc1)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F Show InChI InChI=1S/C28H28F3N5O/c1-3-22-6-7-24(14-23(22)5-4-20-16-32-19-33-17-20)27(37)34-26-13-21(12-25(15-26)28(29,30)31)18-36-10-8-35(2)9-11-36/h6-7,12-17,19H,3,8-11,18H2,1-2H3,(H,34,37)	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	221	n/a	n/a	n/a	n/a	n/a	n/a
Jinan University Curated by ChEMBL					Assay Description Inhibition of DDR2 (unknown origin) incubated for 1 hr using fluorescein-poly-GAT substrate by TR-FRET based LANCE ULTRA kinase assay				J Med Chem 61: 7977-7990 (2018) Article DOI: 10.1021/acs.jmedchem.8b01045 BindingDB Entry DOI: 10.7270/Q24Q7XHN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50368453 (CHEMBL4159558) Show SMILES CCc1ccc(cc1C#Cc1cncnc1)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F Show InChI InChI=1S/C28H28F3N5O/c1-3-22-6-7-24(14-23(22)5-4-20-16-32-19-33-17-20)27(37)34-26-13-21(12-25(15-26)28(29,30)31)18-36-10-8-35(2)9-11-36/h6-7,12-17,19H,3,8-11,18H2,1-2H3,(H,34,37)	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	281	n/a	n/a	n/a	n/a	n/a	n/a
Jinan University Curated by ChEMBL					Assay Description Inhibition of Abl1 (unknown origin) incubated for 1 hr in presence of Tyrosine-2 peptide substrate by FRET based Z'-Lyte assay				J Med Chem 61: 7977-7990 (2018) Article DOI: 10.1021/acs.jmedchem.8b01045 BindingDB Entry DOI: 10.7270/Q24Q7XHN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50430839 (CHEMBL2336015) Show SMILES CCc1ccc(cc1C#Cc1cnc2ccnn2c1)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F Show InChI InChI=1S/C30H29F3N6O/c1-3-23-6-7-25(16-24(23)5-4-21-18-34-28-8-9-35-39(28)20-21)29(40)36-27-15-22(14-26(17-27)30(31,32)33)19-38-12-10-37(2)11-13-38/h6-9,14-18,20H,3,10-13,19H2,1-2H3,(H,36,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	308	n/a	n/a	n/a	n/a	n/a	n/a
Jinan University Curated by ChEMBL					Assay Description Inhibition of Abl1 (unknown origin) incubated for 1 hr in presence of Tyrosine-2 peptide substrate by FRET based Z'-Lyte assay				J Med Chem 61: 7977-7990 (2018) Article DOI: 10.1021/acs.jmedchem.8b01045 BindingDB Entry DOI: 10.7270/Q24Q7XHN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50368548 (CHEMBL4159956) Show SMILES CCc1ccc(cc1C#Cc1cncn1C)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F Show InChI InChI=1S/C28H30F3N5O/c1-4-21-5-6-23(15-22(21)7-8-26-17-32-19-35(26)3)27(37)33-25-14-20(13-24(16-25)28(29,30)31)18-36-11-9-34(2)10-12-36/h5-6,13-17,19H,4,9-12,18H2,1-3H3,(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	346	n/a	n/a	n/a	n/a	n/a	n/a
Jinan University Curated by ChEMBL					Assay Description Inhibition of Abl1 (unknown origin) incubated for 1 hr in presence of Tyrosine-2 peptide substrate by FRET based Z'-Lyte assay				J Med Chem 61: 7977-7990 (2018) Article DOI: 10.1021/acs.jmedchem.8b01045 BindingDB Entry DOI: 10.7270/Q24Q7XHN
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM50368554 (CHEMBL4164870) Show SMILES CN1CCN(Cc2cc(NC(=O)c3ccc(c(c3)C#Cc3cnc4cnccn34)C(C)(C)C)cc(c2)C(F)(F)F)CC1 Show InChI InChI=1S/C32H33F3N6O/c1-31(2,3)28-8-6-24(17-23(28)5-7-27-19-37-29-20-36-9-10-41(27)29)30(42)38-26-16-22(15-25(18-26)32(33,34)35)21-40-13-11-39(4)12-14-40/h6,8-10,15-20H,11-14,21H2,1-4H3,(H,38,42)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
Jinan University Curated by ChEMBL					Assay Description Inhibition of DDR1 (unknown origin) incubated for 1 hr using fluorescein-poly-GAT substrate by TR-FRET based LANCE ULTRA kinase assay				J Med Chem 61: 7977-7990 (2018) Article DOI: 10.1021/acs.jmedchem.8b01045 BindingDB Entry DOI: 10.7270/Q24Q7XHN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50368452 (CHEMBL4168305) Show SMILES CC(C)c1ccc(cc1C#Cc1cnc2cnccn12)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F Show InChI InChI=1S/C31H31F3N6O/c1-21(2)28-7-5-24(16-23(28)4-6-27-18-36-29-19-35-8-9-40(27)29)30(41)37-26-15-22(14-25(17-26)31(32,33)34)20-39-12-10-38(3)11-13-39/h5,7-9,14-19,21H,10-13,20H2,1-3H3,(H,37,41)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	494	n/a	n/a	n/a	n/a	n/a	n/a
Jinan University Curated by ChEMBL					Assay Description Inhibition of Abl1 (unknown origin) incubated for 1 hr in presence of Tyrosine-2 peptide substrate by FRET based Z'-Lyte assay				J Med Chem 61: 7977-7990 (2018) Article DOI: 10.1021/acs.jmedchem.8b01045 BindingDB Entry DOI: 10.7270/Q24Q7XHN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50368555 (CHEMBL4172767) Show SMILES CC(C)c1ccc(cc1C#Cc1cnc2cccnn12)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F Show InChI InChI=1S/C31H31F3N6O/c1-21(2)28-9-7-24(17-23(28)6-8-27-19-35-29-5-4-10-36-40(27)29)30(41)37-26-16-22(15-25(18-26)31(32,33)34)20-39-13-11-38(3)12-14-39/h4-5,7,9-10,15-19,21H,11-14,20H2,1-3H3,(H,37,41)	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	564	n/a	n/a	n/a	n/a	n/a	n/a
Jinan University Curated by ChEMBL					Assay Description Inhibition of Abl1 (unknown origin) incubated for 1 hr in presence of Tyrosine-2 peptide substrate by FRET based Z'-Lyte assay				J Med Chem 61: 7977-7990 (2018) Article DOI: 10.1021/acs.jmedchem.8b01045 BindingDB Entry DOI: 10.7270/Q24Q7XHN
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM50368558 (CHEMBL4160628) Show SMILES CCc1ccc(cc1C#Cc1cnc(nc1)N(C)C)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F Show InChI InChI=1S/C30H33F3N6O/c1-5-23-8-9-25(16-24(23)7-6-21-18-34-29(35-19-21)37(2)3)28(40)36-27-15-22(14-26(17-27)30(31,32)33)20-39-12-10-38(4)11-13-39/h8-9,14-19H,5,10-13,20H2,1-4H3,(H,36,40)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	614	n/a	n/a	n/a	n/a	n/a	n/a
Jinan University Curated by ChEMBL					Assay Description Inhibition of DDR1 (unknown origin) incubated for 1 hr using fluorescein-poly-GAT substrate by TR-FRET based LANCE ULTRA kinase assay				J Med Chem 61: 7977-7990 (2018) Article DOI: 10.1021/acs.jmedchem.8b01045 BindingDB Entry DOI: 10.7270/Q24Q7XHN
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM50368557 (CHEMBL4176591) Show SMILES CCc1ccc(cc1C#Cc1ccsc1)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F Show InChI InChI=1S/C28H28F3N3OS/c1-3-22-6-7-24(16-23(22)5-4-20-8-13-36-19-20)27(35)32-26-15-21(14-25(17-26)28(29,30)31)18-34-11-9-33(2)10-12-34/h6-8,13-17,19H,3,9-12,18H2,1-2H3,(H,32,35)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	695	n/a	n/a	n/a	n/a	n/a	n/a
Jinan University Curated by ChEMBL					Assay Description Inhibition of DDR1 (unknown origin) incubated for 1 hr using fluorescein-poly-GAT substrate by TR-FRET based LANCE ULTRA kinase assay				J Med Chem 61: 7977-7990 (2018) Article DOI: 10.1021/acs.jmedchem.8b01045 BindingDB Entry DOI: 10.7270/Q24Q7XHN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50368550 (CHEMBL4167237) Show SMILES CC(C)c1ccc(cc1C#Cc1cnc2ccccn12)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F Show InChI InChI=1S/C32H32F3N5O/c1-22(2)29-10-8-25(18-24(29)7-9-28-20-36-30-6-4-5-11-40(28)30)31(41)37-27-17-23(16-26(19-27)32(33,34)35)21-39-14-12-38(3)13-15-39/h4-6,8,10-11,16-20,22H,12-15,21H2,1-3H3,(H,37,41)	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	932	n/a	n/a	n/a	n/a	n/a	n/a
Jinan University Curated by ChEMBL					Assay Description Inhibition of Abl1 (unknown origin) incubated for 1 hr in presence of Tyrosine-2 peptide substrate by FRET based Z'-Lyte assay				J Med Chem 61: 7977-7990 (2018) Article DOI: 10.1021/acs.jmedchem.8b01045 BindingDB Entry DOI: 10.7270/Q24Q7XHN
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM50368553 (CHEMBL4165977) Show SMILES CCc1ccc(cc1C#Cc1ccco1)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F Show InChI InChI=1S/C28H28F3N3O2/c1-3-21-6-7-23(17-22(21)8-9-26-5-4-14-36-26)27(35)32-25-16-20(15-24(18-25)28(29,30)31)19-34-12-10-33(2)11-13-34/h4-7,14-18H,3,10-13,19H2,1-2H3,(H,32,35)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Jinan University Curated by ChEMBL					Assay Description Inhibition of DDR1 (unknown origin) incubated for 1 hr using fluorescein-poly-GAT substrate by TR-FRET based LANCE ULTRA kinase assay				J Med Chem 61: 7977-7990 (2018) Article DOI: 10.1021/acs.jmedchem.8b01045 BindingDB Entry DOI: 10.7270/Q24Q7XHN
					More data for this Ligand-Target Pair
Discoidin domain-containing receptor 2 (Homo sapiens (Human))	BDBM50368549 (CHEMBL4171235) Show SMILES CCc1ccc(cc1C#Cc1ccoc1)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F Show InChI InChI=1S/C28H28F3N3O2/c1-3-22-6-7-24(16-23(22)5-4-20-8-13-36-19-20)27(35)32-26-15-21(14-25(17-26)28(29,30)31)18-34-11-9-33(2)10-12-34/h6-8,13-17,19H,3,9-12,18H2,1-2H3,(H,32,35)	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	1.54E+3	n/a	n/a	n/a	n/a	n/a	n/a
Jinan University Curated by ChEMBL					Assay Description Inhibition of DDR2 (unknown origin) incubated for 1 hr using fluorescein-poly-GAT substrate by TR-FRET based LANCE ULTRA kinase assay				J Med Chem 61: 7977-7990 (2018) Article DOI: 10.1021/acs.jmedchem.8b01045 BindingDB Entry DOI: 10.7270/Q24Q7XHN
					More data for this Ligand-Target Pair

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