Compile Data Set for Download or QSAR

Found 19 hits Enz. Inhib. hit(s) with all data for entry = 50048279   

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))	BDBM50211225 (CHEMBL3957831) Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(OC3CCN(CC3)C(=O)c3cncc(C)c3)c2)CC1 Show InChI InChI=1S/C33H38F3N5O3/c1-22-16-26(20-37-19-22)32(43)41-10-8-28(9-11-41)44-30-18-27(7-4-23(30)2)38-31(42)24-5-6-25(29(17-24)33(34,35)36)21-40-14-12-39(3)13-15-40/h4-7,16-20,28H,8-15,21H2,1-3H3,(H,38,42)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
High Magnetic Field Laboratory Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged human ABL1 expressed in baculovirus infected SF9 cells using Tyr 02 peptide as substrate measured after 1 hr by F...				J Med Chem 60: 273-289 (2017) Article DOI: 10.1021/acs.jmedchem.6b01290 BindingDB Entry DOI: 10.7270/Q2J10591
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50211227 (CHEMBL3894450) Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(OC3CCN(CC3)C(=O)c3ccncc3)c2)CC1 Show InChI InChI=1S/C32H36F3N5O3/c1-22-3-6-26(20-29(22)43-27-9-13-40(14-10-27)31(42)23-7-11-36-12-8-23)37-30(41)24-4-5-25(28(19-24)32(33,34)35)21-39-17-15-38(2)16-18-39/h3-8,11-12,19-20,27H,9-10,13-18,21H2,1-2H3,(H,37,41)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
High Magnetic Field Laboratory Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged human ABL1 expressed in baculovirus infected SF9 cells using Tyr 02 peptide as substrate measured after 1 hr by F...				J Med Chem 60: 273-289 (2017) Article DOI: 10.1021/acs.jmedchem.6b01290 BindingDB Entry DOI: 10.7270/Q2J10591
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50211223 (CHEMBL3939150) Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(OC3CCN(CC3)C(=O)c3ccc(C)nc3)c2)CC1 Show InChI InChI=1S/C33H38F3N5O3/c1-22-4-9-27(19-30(22)44-28-10-12-41(13-11-28)32(43)25-6-5-23(2)37-20-25)38-31(42)24-7-8-26(29(18-24)33(34,35)36)21-40-16-14-39(3)15-17-40/h4-9,18-20,28H,10-17,21H2,1-3H3,(H,38,42)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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
High Magnetic Field Laboratory Curated by ChEMBL					Assay Description Inhibition of recombinant C-terminal His-tagged human LCK cytoplasmic domain expressed in baculovirus expression system measured after 1 hr by FRET b...				J Med Chem 60: 273-289 (2017) Article DOI: 10.1021/acs.jmedchem.6b01290 BindingDB Entry DOI: 10.7270/Q2J10591
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50211224 (CHEMBL3962651) Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(OC3CCN(CC3)C(=O)c3ccccn3)c2)CC1 Show InChI InChI=1S/C32H36F3N5O3/c1-22-6-9-25(20-29(22)43-26-10-13-40(14-11-26)31(42)28-5-3-4-12-36-28)37-30(41)23-7-8-24(27(19-23)32(33,34)35)21-39-17-15-38(2)16-18-39/h3-9,12,19-20,26H,10-11,13-18,21H2,1-2H3,(H,37,41)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
High Magnetic Field Laboratory Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged human ABL1 expressed in baculovirus infected SF9 cells using Tyr 02 peptide as substrate measured after 1 hr by F...				J Med Chem 60: 273-289 (2017) Article DOI: 10.1021/acs.jmedchem.6b01290 BindingDB Entry DOI: 10.7270/Q2J10591
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50211223 (CHEMBL3939150) Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(OC3CCN(CC3)C(=O)c3ccc(C)nc3)c2)CC1 Show InChI InChI=1S/C33H38F3N5O3/c1-22-4-9-27(19-30(22)44-28-10-12-41(13-11-28)32(43)25-6-5-23(2)37-20-25)38-31(42)24-7-8-26(29(18-24)33(34,35)36)21-40-16-14-39(3)15-17-40/h4-9,18-20,28H,10-17,21H2,1-3H3,(H,38,42)	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	46	n/a	n/a	n/a	n/a	n/a	n/a
High Magnetic Field Laboratory Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged human ABL1 expressed in baculovirus infected SF9 cells using Tyr 02 peptide as substrate measured after 1 hr by F...				J Med Chem 60: 273-289 (2017) Article DOI: 10.1021/acs.jmedchem.6b01290 BindingDB Entry DOI: 10.7270/Q2J10591
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM50211223 (CHEMBL3939150) Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(OC3CCN(CC3)C(=O)c3ccc(C)nc3)c2)CC1 Show InChI InChI=1S/C33H38F3N5O3/c1-22-4-9-27(19-30(22)44-28-10-12-41(13-11-28)32(43)25-6-5-23(2)37-20-25)38-31(42)24-7-8-26(29(18-24)33(34,35)36)21-40-16-14-39(3)15-17-40/h4-9,18-20,28H,10-17,21H2,1-3H3,(H,38,42)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
High Magnetic Field Laboratory Curated by ChEMBL					Assay Description Inhibition of recombinant C-terminal polyhistidine-tagged human c-KIT expressed in mammalian expression system using Tyr 06 peptide as substrate meas...				J Med Chem 60: 273-289 (2017) Article DOI: 10.1021/acs.jmedchem.6b01290 BindingDB Entry DOI: 10.7270/Q2J10591
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM50211223 (CHEMBL3939150) Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(OC3CCN(CC3)C(=O)c3ccc(C)nc3)c2)CC1 Show InChI InChI=1S/C33H38F3N5O3/c1-22-4-9-27(19-30(22)44-28-10-12-41(13-11-28)32(43)25-6-5-23(2)37-20-25)38-31(42)24-7-8-26(29(18-24)33(34,35)36)21-40-16-14-39(3)15-17-40/h4-9,18-20,28H,10-17,21H2,1-3H3,(H,38,42)	PDB MMDB NCI pathway 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	80	n/a	n/a	n/a	n/a	n/a	n/a
High Magnetic Field Laboratory Curated by ChEMBL					Assay Description Inhibition of recombinant His-tagged human PDGFR-beta cytoplasmic domain (558 to 1106 residues) expressed in baculovirus expression system measured a...				J Med Chem 60: 273-289 (2017) Article DOI: 10.1021/acs.jmedchem.6b01290 BindingDB Entry DOI: 10.7270/Q2J10591
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Blk (Homo sapiens (Human))	BDBM50211223 (CHEMBL3939150) Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(OC3CCN(CC3)C(=O)c3ccc(C)nc3)c2)CC1 Show InChI InChI=1S/C33H38F3N5O3/c1-22-4-9-27(19-30(22)44-28-10-12-41(13-11-28)32(43)25-6-5-23(2)37-20-25)38-31(42)24-7-8-26(29(18-24)33(34,35)36)21-40-16-14-39(3)15-17-40/h4-9,18-20,28H,10-17,21H2,1-3H3,(H,38,42)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	81	n/a	n/a	n/a	n/a	n/a	n/a
High Magnetic Field Laboratory Curated by ChEMBL					Assay Description Inhibition of full length recombinant His-tagged human BLK cytoplasmic domain expressed in baculovirus expression system measured after 1 hr by FRET ...				J Med Chem 60: 273-289 (2017) Article DOI: 10.1021/acs.jmedchem.6b01290 BindingDB Entry DOI: 10.7270/Q2J10591
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM50211223 (CHEMBL3939150) Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(OC3CCN(CC3)C(=O)c3ccc(C)nc3)c2)CC1 Show InChI InChI=1S/C33H38F3N5O3/c1-22-4-9-27(19-30(22)44-28-10-12-41(13-11-28)32(43)25-6-5-23(2)37-20-25)38-31(42)24-7-8-26(29(18-24)33(34,35)36)21-40-16-14-39(3)15-17-40/h4-9,18-20,28H,10-17,21H2,1-3H3,(H,38,42)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	116	n/a	n/a	n/a	n/a	n/a	n/a
High Magnetic Field Laboratory Curated by ChEMBL					Assay Description Inhibition of human GST-tagged DDR1 cytoplasmic domain expressed in baculovirus expression system measured after 1 hr by FRET based Z'Lyte assay				J Med Chem 60: 273-289 (2017) Article DOI: 10.1021/acs.jmedchem.6b01290 BindingDB Entry DOI: 10.7270/Q2J10591
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM13530 (4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...) Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1 Show InChI InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	164	n/a	n/a	n/a	n/a	n/a	n/a
High Magnetic Field Laboratory Curated by ChEMBL					Assay Description Inhibition of recombinant C-terminal polyhistidine-tagged human c-KIT expressed in mammalian expression system using Tyr 06 peptide as substrate meas...				J Med Chem 60: 273-289 (2017) Article DOI: 10.1021/acs.jmedchem.6b01290 BindingDB Entry DOI: 10.7270/Q2J10591
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM50211225 (CHEMBL3957831) Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(OC3CCN(CC3)C(=O)c3cncc(C)c3)c2)CC1 Show InChI InChI=1S/C33H38F3N5O3/c1-22-16-26(20-37-19-22)32(43)41-10-8-28(9-11-41)44-30-18-27(7-4-23(30)2)38-31(42)24-5-6-25(29(17-24)33(34,35)36)21-40-14-12-39(3)13-15-40/h4-7,16-20,28H,8-15,21H2,1-3H3,(H,38,42)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	214	n/a	n/a	n/a	n/a	n/a	n/a
High Magnetic Field Laboratory Curated by ChEMBL					Assay Description Inhibition of recombinant C-terminal polyhistidine-tagged human c-KIT expressed in mammalian expression system using Tyr 06 peptide as substrate meas...				J Med Chem 60: 273-289 (2017) Article DOI: 10.1021/acs.jmedchem.6b01290 BindingDB Entry DOI: 10.7270/Q2J10591
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM13530 (4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...) Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1 Show InChI InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	223	n/a	n/a	n/a	n/a	n/a	n/a
High Magnetic Field Laboratory Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged human ABL1 expressed in baculovirus infected SF9 cells using Tyr 02 peptide as substrate measured after 1 hr by F...				J Med Chem 60: 273-289 (2017) Article DOI: 10.1021/acs.jmedchem.6b01290 BindingDB Entry DOI: 10.7270/Q2J10591
					More data for this Ligand-Target Pair				3D Structure (crystal)
Macrophage colony-stimulating factor 1 receptor (Homo sapiens (Human))	BDBM50211223 (CHEMBL3939150) Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(OC3CCN(CC3)C(=O)c3ccc(C)nc3)c2)CC1 Show InChI InChI=1S/C33H38F3N5O3/c1-22-4-9-27(19-30(22)44-28-10-12-41(13-11-28)32(43)25-6-5-23(2)37-20-25)38-31(42)24-7-8-26(29(18-24)33(34,35)36)21-40-16-14-39(3)15-17-40/h4-9,18-20,28H,10-17,21H2,1-3H3,(H,38,42)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	227	n/a	n/a	n/a	n/a	n/a	n/a
High Magnetic Field Laboratory Curated by ChEMBL					Assay Description Inhibition of recombinant His-tagged human CSF1R cytoplasmic domain expressed in baculovirus expression system measured after 1 hr by FRET based Z'Ly...				J Med Chem 60: 273-289 (2017) Article DOI: 10.1021/acs.jmedchem.6b01290 BindingDB Entry DOI: 10.7270/Q2J10591
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM50211227 (CHEMBL3894450) Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(OC3CCN(CC3)C(=O)c3ccncc3)c2)CC1 Show InChI InChI=1S/C32H36F3N5O3/c1-22-3-6-26(20-29(22)43-27-9-13-40(14-10-27)31(42)23-7-11-36-12-8-23)37-30(41)24-4-5-25(28(19-24)32(33,34)35)21-39-17-15-38(2)16-18-39/h3-8,11-12,19-20,27H,9-10,13-18,21H2,1-2H3,(H,37,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	256	n/a	n/a	n/a	n/a	n/a	n/a
High Magnetic Field Laboratory Curated by ChEMBL					Assay Description Inhibition of recombinant C-terminal polyhistidine-tagged human c-KIT expressed in mammalian expression system using Tyr 06 peptide as substrate meas...				J Med Chem 60: 273-289 (2017) Article DOI: 10.1021/acs.jmedchem.6b01290 BindingDB Entry DOI: 10.7270/Q2J10591
					More data for this Ligand-Target Pair
Discoidin domain-containing receptor 2 (Homo sapiens (Human))	BDBM50211223 (CHEMBL3939150) Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(OC3CCN(CC3)C(=O)c3ccc(C)nc3)c2)CC1 Show InChI InChI=1S/C33H38F3N5O3/c1-22-4-9-27(19-30(22)44-28-10-12-41(13-11-28)32(43)25-6-5-23(2)37-20-25)38-31(42)24-7-8-26(29(18-24)33(34,35)36)21-40-16-14-39(3)15-17-40/h4-9,18-20,28H,10-17,21H2,1-3H3,(H,38,42)	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	325	n/a	n/a	n/a	n/a	n/a	n/a
High Magnetic Field Laboratory Curated by ChEMBL					Assay Description Inhibition of recombinant His-tagged human DDR2 cytoplasmic domain expressed in baculovirus expression system measured after 1 hr by FRET based Z'Lyt...				J Med Chem 60: 273-289 (2017) Article DOI: 10.1021/acs.jmedchem.6b01290 BindingDB Entry DOI: 10.7270/Q2J10591
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM50211226 (CHEMBL3906886) Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(OC3CCN(CC3)C(=O)c3cnccc3C)c2)CC1 Show InChI InChI=1S/C33H38F3N5O3/c1-22-8-11-37-20-28(22)32(43)41-12-9-27(10-13-41)44-30-19-26(7-4-23(30)2)38-31(42)24-5-6-25(29(18-24)33(34,35)36)21-40-16-14-39(3)15-17-40/h4-8,11,18-20,27H,9-10,12-17,21H2,1-3H3,(H,38,42)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	336	n/a	n/a	n/a	n/a	n/a	n/a
High Magnetic Field Laboratory Curated by ChEMBL					Assay Description Inhibition of recombinant C-terminal polyhistidine-tagged human c-KIT expressed in mammalian expression system using Tyr 06 peptide as substrate meas...				J Med Chem 60: 273-289 (2017) Article DOI: 10.1021/acs.jmedchem.6b01290 BindingDB Entry DOI: 10.7270/Q2J10591
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM50211224 (CHEMBL3962651) Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(OC3CCN(CC3)C(=O)c3ccccn3)c2)CC1 Show InChI InChI=1S/C32H36F3N5O3/c1-22-6-9-25(20-29(22)43-26-10-13-40(14-11-26)31(42)28-5-3-4-12-36-28)37-30(41)23-7-8-24(27(19-23)32(33,34)35)21-39-17-15-38(2)16-18-39/h3-9,12,19-20,26H,10-11,13-18,21H2,1-2H3,(H,37,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	644	n/a	n/a	n/a	n/a	n/a	n/a
High Magnetic Field Laboratory Curated by ChEMBL					Assay Description Inhibition of recombinant C-terminal polyhistidine-tagged human c-KIT expressed in mammalian expression system using Tyr 06 peptide as substrate meas...				J Med Chem 60: 273-289 (2017) Article DOI: 10.1021/acs.jmedchem.6b01290 BindingDB Entry DOI: 10.7270/Q2J10591
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50211226 (CHEMBL3906886) Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(OC3CCN(CC3)C(=O)c3cnccc3C)c2)CC1 Show InChI InChI=1S/C33H38F3N5O3/c1-22-8-11-37-20-28(22)32(43)41-12-9-27(10-13-41)44-30-19-26(7-4-23(30)2)38-31(42)24-5-6-25(29(18-24)33(34,35)36)21-40-16-14-39(3)15-17-40/h4-8,11,18-20,27H,9-10,12-17,21H2,1-3H3,(H,38,42)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
High Magnetic Field Laboratory Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged human ABL1 expressed in baculovirus infected SF9 cells using Tyr 02 peptide as substrate measured after 1 hr by F...				J Med Chem 60: 273-289 (2017) Article DOI: 10.1021/acs.jmedchem.6b01290 BindingDB Entry DOI: 10.7270/Q2J10591
					More data for this Ligand-Target Pair
BCR/ABL p210 fusion protein (Homo sapiens (Human))	BDBM50211223 (CHEMBL3939150) Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(OC3CCN(CC3)C(=O)c3ccc(C)nc3)c2)CC1 Show InChI InChI=1S/C33H38F3N5O3/c1-22-4-9-27(19-30(22)44-28-10-12-41(13-11-28)32(43)25-6-5-23(2)37-20-25)38-31(42)24-7-8-26(29(18-24)33(34,35)36)21-40-16-14-39(3)15-17-40/h4-9,18-20,28H,10-17,21H2,1-3H3,(H,38,42)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	<100	n/a	n/a	n/a	n/a
High Magnetic Field Laboratory Curated by ChEMBL					Assay Description Inhibition of BCR/ABL p210 fusion protein autophosphorylation at Y245 in human K562 cells measured after 2 hrs by immunoblotting				J Med Chem 60: 273-289 (2017) Article DOI: 10.1021/acs.jmedchem.6b01290 BindingDB Entry DOI: 10.7270/Q2J10591
					More data for this Ligand-Target Pair