Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 478.5 BDBM50341238

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 hits in this display   

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))	BDBM50341238 (4-(methacrylamidomethyl)-N-(4-methyl-3-(4-(pyridin...) Show SMILES CC(=C)C(=O)NCc1ccc(cc1)C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1 Show InChI InChI=1S/C28H26N6O2/c1-18(2)26(35)31-16-20-7-9-21(10-8-20)27(36)32-23-11-6-19(3)25(15-23)34-28-30-14-12-24(33-28)22-5-4-13-29-17-22/h4-15,17H,1,16H2,2-3H3,(H,31,35)(H,32,36)(H,30,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.74E+3	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibition of human wild type KIT assessed as [gamma33P]ATP incorporation into polyGluTyr after 60 mins by microplate scintillation counting				J Med Chem 54: 1347-55 (2011) Article DOI: 10.1021/jm101396q BindingDB Entry DOI: 10.7270/Q2NC61J5
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor alpha (Homo sapiens (Human))	BDBM50341238 (4-(methacrylamidomethyl)-N-(4-methyl-3-(4-(pyridin...) Show SMILES CC(=C)C(=O)NCc1ccc(cc1)C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1 Show InChI InChI=1S/C28H26N6O2/c1-18(2)26(35)31-16-20-7-9-21(10-8-20)27(36)32-23-11-6-19(3)25(15-23)34-28-30-14-12-24(33-28)22-5-4-13-29-17-22/h4-15,17H,1,16H2,2-3H3,(H,31,35)(H,32,36)(H,30,33,34)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.11E+3	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibition of human wild type PDGFRalpha assessed as [gamma33P]ATP incorporation into polyAlaGluLsTyr after 60 mins by microplate scintillation count...				J Med Chem 54: 1347-55 (2011) Article DOI: 10.1021/jm101396q BindingDB Entry DOI: 10.7270/Q2NC61J5
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50341238 (4-(methacrylamidomethyl)-N-(4-methyl-3-(4-(pyridin...) Show SMILES CC(=C)C(=O)NCc1ccc(cc1)C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1 Show InChI InChI=1S/C28H26N6O2/c1-18(2)26(35)31-16-20-7-9-21(10-8-20)27(36)32-23-11-6-19(3)25(15-23)34-28-30-14-12-24(33-28)22-5-4-13-29-17-22/h4-15,17H,1,16H2,2-3H3,(H,31,35)(H,32,36)(H,30,33,34)	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	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibition of human wild type ABL1 assessed as [gamma33P]ATP incorporation into polyAlaGluLsTyr after 60 mins by microplate scintillation counting				J Med Chem 54: 1347-55 (2011) Article DOI: 10.1021/jm101396q BindingDB Entry DOI: 10.7270/Q2NC61J5
					More data for this Ligand-Target Pair