Compile Data Set for Download or QSAR

Found 13 hits Enz. Inhib. hit(s) with all data for entry = 50009947   

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
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM50533694 (CHEMBL4445808) Show SMILES CCC(=O)NCC1CCN(CC1)c1ccc(NC(=O)Nc2cccc(Oc3ccnc4cc(OC)c(OC)cc34)c2)cc1C(F)(F)F Show InChI InChI=1S/C34H36F3N5O5/c1-4-32(43)39-20-21-11-14-42(15-12-21)28-9-8-23(17-26(28)34(35,36)37)41-33(44)40-22-6-5-7-24(16-22)47-29-10-13-38-27-19-31(46-3)30(45-2)18-25(27)29/h5-10,13,16-19,21H,4,11-12,14-15,20H2,1-3H3,(H,39,43)(H2,40,41,44)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
High Magnetic Field Laboratory Curated by ChEMBL					Assay Description Inhibition of His-tagged cKIT (unknown origin) expressed in Sf9 cells using Poly(4:1 Glu, Tyr) peptide as substrate after 1 hr by ADP-glo kinase assa...				J Med Chem 59: 8456-72 (2016) Article DOI: 10.1021/acs.jmedchem.6b00902 BindingDB Entry DOI: 10.7270/Q2MS3X7K
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM50533694 (CHEMBL4445808) Show SMILES CCC(=O)NCC1CCN(CC1)c1ccc(NC(=O)Nc2cccc(Oc3ccnc4cc(OC)c(OC)cc34)c2)cc1C(F)(F)F Show InChI InChI=1S/C34H36F3N5O5/c1-4-32(43)39-20-21-11-14-42(15-12-21)28-9-8-23(17-26(28)34(35,36)37)41-33(44)40-22-6-5-7-24(16-22)47-29-10-13-38-27-19-31(46-3)30(45-2)18-25(27)29/h5-10,13,16-19,21H,4,11-12,14-15,20H2,1-3H3,(H,39,43)(H2,40,41,44)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	99	n/a	n/a	n/a	n/a	n/a	n/a
High Magnetic Field Laboratory Curated by ChEMBL					Assay Description Inhibition of His-tagged cKIT T670I mutant (544 to 935 residues) (unknown origin) expressed in Sf9 cells using Poly(4:1 Glu, Tyr) peptide as substrat...				J Med Chem 59: 8456-72 (2016) Article DOI: 10.1021/acs.jmedchem.6b00902 BindingDB Entry DOI: 10.7270/Q2MS3X7K
					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	319	n/a	n/a	n/a	n/a	n/a	n/a
High Magnetic Field Laboratory Curated by ChEMBL					Assay Description Inhibition of His-tagged cKIT (unknown origin) expressed in Sf9 cells using Poly(4:1 Glu, Tyr) peptide as substrate after 1 hr by ADP-glo kinase assa...				J Med Chem 59: 8456-72 (2016) Article DOI: 10.1021/acs.jmedchem.6b00902 BindingDB Entry DOI: 10.7270/Q2MS3X7K
					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	9.82E+3	n/a	n/a	n/a	n/a	n/a	n/a
High Magnetic Field Laboratory Curated by ChEMBL					Assay Description Inhibition of His-tagged cKIT T670I mutant (544 to 935 residues) (unknown origin) expressed in Sf9 cells using Poly(4:1 Glu, Tyr) peptide as substrat...				J Med Chem 59: 8456-72 (2016) Article DOI: 10.1021/acs.jmedchem.6b00902 BindingDB Entry DOI: 10.7270/Q2MS3X7K
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM50533694 (CHEMBL4445808) Show SMILES CCC(=O)NCC1CCN(CC1)c1ccc(NC(=O)Nc2cccc(Oc3ccnc4cc(OC)c(OC)cc34)c2)cc1C(F)(F)F Show InChI InChI=1S/C34H36F3N5O5/c1-4-32(43)39-20-21-11-14-42(15-12-21)28-9-8-23(17-26(28)34(35,36)37)41-33(44)40-22-6-5-7-24(16-22)47-29-10-13-38-27-19-31(46-3)30(45-2)18-25(27)29/h5-10,13,16-19,21H,4,11-12,14-15,20H2,1-3H3,(H,39,43)(H2,40,41,44)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 cKIT T670I mutant in human GIST-5R cells assessed as downregulation of ERK phosphorylation at T202/204 after 1 hr by Western blot analy...				J Med Chem 59: 8456-72 (2016) Article DOI: 10.1021/acs.jmedchem.6b00902 BindingDB Entry DOI: 10.7270/Q2MS3X7K
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM50533694 (CHEMBL4445808) Show SMILES CCC(=O)NCC1CCN(CC1)c1ccc(NC(=O)Nc2cccc(Oc3ccnc4cc(OC)c(OC)cc34)c2)cc1C(F)(F)F Show InChI InChI=1S/C34H36F3N5O5/c1-4-32(43)39-20-21-11-14-42(15-12-21)28-9-8-23(17-26(28)34(35,36)37)41-33(44)40-22-6-5-7-24(16-22)47-29-10-13-38-27-19-31(46-3)30(45-2)18-25(27)29/h5-10,13,16-19,21H,4,11-12,14-15,20H2,1-3H3,(H,39,43)(H2,40,41,44)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 wild type cKIT in human GIST-T1 cells assessed as downregulation of AKT phosphorylation at S473 after 1 hr by Western blot analysis				J Med Chem 59: 8456-72 (2016) Article DOI: 10.1021/acs.jmedchem.6b00902 BindingDB Entry DOI: 10.7270/Q2MS3X7K
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM50533694 (CHEMBL4445808) Show SMILES CCC(=O)NCC1CCN(CC1)c1ccc(NC(=O)Nc2cccc(Oc3ccnc4cc(OC)c(OC)cc34)c2)cc1C(F)(F)F Show InChI InChI=1S/C34H36F3N5O5/c1-4-32(43)39-20-21-11-14-42(15-12-21)28-9-8-23(17-26(28)34(35,36)37)41-33(44)40-22-6-5-7-24(16-22)47-29-10-13-38-27-19-31(46-3)30(45-2)18-25(27)29/h5-10,13,16-19,21H,4,11-12,14-15,20H2,1-3H3,(H,39,43)(H2,40,41,44)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 cKIT T670I mutant autophosphorylation at Y703 in human GIST-5R cells at 0.1 to 3 uM after 1 hr by Western blot analysis				J Med Chem 59: 8456-72 (2016) Article DOI: 10.1021/acs.jmedchem.6b00902 BindingDB Entry DOI: 10.7270/Q2MS3X7K
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM50533694 (CHEMBL4445808) Show SMILES CCC(=O)NCC1CCN(CC1)c1ccc(NC(=O)Nc2cccc(Oc3ccnc4cc(OC)c(OC)cc34)c2)cc1C(F)(F)F Show InChI InChI=1S/C34H36F3N5O5/c1-4-32(43)39-20-21-11-14-42(15-12-21)28-9-8-23(17-26(28)34(35,36)37)41-33(44)40-22-6-5-7-24(16-22)47-29-10-13-38-27-19-31(46-3)30(45-2)18-25(27)29/h5-10,13,16-19,21H,4,11-12,14-15,20H2,1-3H3,(H,39,43)(H2,40,41,44)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 cKIT T670I mutant autophosphorylation at Y823 in human GIST-5R cells at 0.1 to 3 uM after 1 hr by Western blot analysis				J Med Chem 59: 8456-72 (2016) Article DOI: 10.1021/acs.jmedchem.6b00902 BindingDB Entry DOI: 10.7270/Q2MS3X7K
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM50533694 (CHEMBL4445808) Show SMILES CCC(=O)NCC1CCN(CC1)c1ccc(NC(=O)Nc2cccc(Oc3ccnc4cc(OC)c(OC)cc34)c2)cc1C(F)(F)F Show InChI InChI=1S/C34H36F3N5O5/c1-4-32(43)39-20-21-11-14-42(15-12-21)28-9-8-23(17-26(28)34(35,36)37)41-33(44)40-22-6-5-7-24(16-22)47-29-10-13-38-27-19-31(46-3)30(45-2)18-25(27)29/h5-10,13,16-19,21H,4,11-12,14-15,20H2,1-3H3,(H,39,43)(H2,40,41,44)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 cKIT T670I mutant in human GIST-5R cells assessed as downregulation of S6 phosphorylation at S235/236 after 1 hr by Western blot analys...				J Med Chem 59: 8456-72 (2016) Article DOI: 10.1021/acs.jmedchem.6b00902 BindingDB Entry DOI: 10.7270/Q2MS3X7K
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM50533694 (CHEMBL4445808) Show SMILES CCC(=O)NCC1CCN(CC1)c1ccc(NC(=O)Nc2cccc(Oc3ccnc4cc(OC)c(OC)cc34)c2)cc1C(F)(F)F Show InChI InChI=1S/C34H36F3N5O5/c1-4-32(43)39-20-21-11-14-42(15-12-21)28-9-8-23(17-26(28)34(35,36)37)41-33(44)40-22-6-5-7-24(16-22)47-29-10-13-38-27-19-31(46-3)30(45-2)18-25(27)29/h5-10,13,16-19,21H,4,11-12,14-15,20H2,1-3H3,(H,39,43)(H2,40,41,44)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 cKIT T670I mutant in human GIST-5R cells assessed as downregulation of AKT phosphorylation at S473 after 1 hr by Western blot analysis				J Med Chem 59: 8456-72 (2016) Article DOI: 10.1021/acs.jmedchem.6b00902 BindingDB Entry DOI: 10.7270/Q2MS3X7K
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM50533694 (CHEMBL4445808) Show SMILES CCC(=O)NCC1CCN(CC1)c1ccc(NC(=O)Nc2cccc(Oc3ccnc4cc(OC)c(OC)cc34)c2)cc1C(F)(F)F Show InChI InChI=1S/C34H36F3N5O5/c1-4-32(43)39-20-21-11-14-42(15-12-21)28-9-8-23(17-26(28)34(35,36)37)41-33(44)40-22-6-5-7-24(16-22)47-29-10-13-38-27-19-31(46-3)30(45-2)18-25(27)29/h5-10,13,16-19,21H,4,11-12,14-15,20H2,1-3H3,(H,39,43)(H2,40,41,44)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 wild type cKIT in human GIST-T1 cells assessed as downregulation of ERK phosphorylation at T202//204 after 1 hr by Western blot analysi...				J Med Chem 59: 8456-72 (2016) Article DOI: 10.1021/acs.jmedchem.6b00902 BindingDB Entry DOI: 10.7270/Q2MS3X7K
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM50533694 (CHEMBL4445808) Show SMILES CCC(=O)NCC1CCN(CC1)c1ccc(NC(=O)Nc2cccc(Oc3ccnc4cc(OC)c(OC)cc34)c2)cc1C(F)(F)F Show InChI InChI=1S/C34H36F3N5O5/c1-4-32(43)39-20-21-11-14-42(15-12-21)28-9-8-23(17-26(28)34(35,36)37)41-33(44)40-22-6-5-7-24(16-22)47-29-10-13-38-27-19-31(46-3)30(45-2)18-25(27)29/h5-10,13,16-19,21H,4,11-12,14-15,20H2,1-3H3,(H,39,43)(H2,40,41,44)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 wild type cKIT in human GIST-T1 cells assessed as downregulation of S6 phosphorylation at S235/236 after 1 hr by Western blot analysis				J Med Chem 59: 8456-72 (2016) Article DOI: 10.1021/acs.jmedchem.6b00902 BindingDB Entry DOI: 10.7270/Q2MS3X7K
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM50533694 (CHEMBL4445808) Show SMILES CCC(=O)NCC1CCN(CC1)c1ccc(NC(=O)Nc2cccc(Oc3ccnc4cc(OC)c(OC)cc34)c2)cc1C(F)(F)F Show InChI InChI=1S/C34H36F3N5O5/c1-4-32(43)39-20-21-11-14-42(15-12-21)28-9-8-23(17-26(28)34(35,36)37)41-33(44)40-22-6-5-7-24(16-22)47-29-10-13-38-27-19-31(46-3)30(45-2)18-25(27)29/h5-10,13,16-19,21H,4,11-12,14-15,20H2,1-3H3,(H,39,43)(H2,40,41,44)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 cKIT T670I mutant autophosphorylation at Y719 in human GIST-5R cells at 0.1 to 3 uM after 1 hr by Western blot analysis				J Med Chem 59: 8456-72 (2016) Article DOI: 10.1021/acs.jmedchem.6b00902 BindingDB Entry DOI: 10.7270/Q2MS3X7K
					More data for this Ligand-Target Pair