BDBM50256929 CHEMBL514511::N1-(2-aminophenyl)-N4-(3-(methyl(4-(pyridin-3-yl)pyrimidin-2-yl)amino)phenyl)terephthalamide

SMILES: CN(C(=O)c1ccc(cc1)C(=O)Nc1ccccc1N)c1cccc(Nc2nccc(n2)-c2cccnc2)c1

InChI Key: InChIKey=CECVMCWVJXADBQ-UHFFFAOYSA-N

Data: 5 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50256929   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50256929 (CHEMBL514511 | N1-(2-aminophenyl)-N4-(3-(methyl(4-...) Show SMILES CN(C(=O)c1ccc(cc1)C(=O)Nc1ccccc1N)c1cccc(Nc2nccc(n2)-c2cccnc2)c1 Show InChI InChI=1S/C30H25N7O2/c1-37(29(39)21-13-11-20(12-14-21)28(38)35-27-10-3-2-9-25(27)31)24-8-4-7-23(18-24)34-30-33-17-15-26(36-30)22-6-5-16-32-19-22/h2-19H,31H2,1H3,(H,35,38)(H,33,34,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 expressed in HEK293 cells				J Med Chem 52: 2265-79 (2009) Article DOI: 10.1021/jm800988r BindingDB Entry DOI: 10.7270/Q2NS0TSP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50256929 (CHEMBL514511 | N1-(2-aminophenyl)-N4-(3-(methyl(4-...) Show SMILES CN(C(=O)c1ccc(cc1)C(=O)Nc1ccccc1N)c1cccc(Nc2nccc(n2)-c2cccnc2)c1 Show InChI InChI=1S/C30H25N7O2/c1-37(29(39)21-13-11-20(12-14-21)28(38)35-27-10-3-2-9-25(27)31)24-8-4-7-23(18-24)34-30-33-17-15-26(36-30)22-6-5-16-32-19-22/h2-19H,31H2,1H3,(H,35,38)(H,33,34,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Inhibition of wild-type c-Abl (unknown origin) by liquid scintillation counting				J Med Chem 52: 2265-79 (2009) Article DOI: 10.1021/jm800988r BindingDB Entry DOI: 10.7270/Q2NS0TSP
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM50256929 (CHEMBL514511 | N1-(2-aminophenyl)-N4-(3-(methyl(4-...) Show SMILES CN(C(=O)c1ccc(cc1)C(=O)Nc1ccccc1N)c1cccc(Nc2nccc(n2)-c2cccnc2)c1 Show InChI InChI=1S/C30H25N7O2/c1-37(29(39)21-13-11-20(12-14-21)28(38)35-27-10-3-2-9-25(27)31)24-8-4-7-23(18-24)34-30-33-17-15-26(36-30)22-6-5-16-32-19-22/h2-19H,31H2,1H3,(H,35,38)(H,33,34,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Inhibition of PDGFRbeta (unknown origin) by liquid scintillation counting				J Med Chem 52: 2265-79 (2009) Article DOI: 10.1021/jm800988r BindingDB Entry DOI: 10.7270/Q2NS0TSP
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50256929 (CHEMBL514511 | N1-(2-aminophenyl)-N4-(3-(methyl(4-...) Show SMILES CN(C(=O)c1ccc(cc1)C(=O)Nc1ccccc1N)c1cccc(Nc2nccc(n2)-c2cccnc2)c1 Show InChI InChI=1S/C30H25N7O2/c1-37(29(39)21-13-11-20(12-14-21)28(38)35-27-10-3-2-9-25(27)31)24-8-4-7-23(18-24)34-30-33-17-15-26(36-30)22-6-5-16-32-19-22/h2-19H,31H2,1H3,(H,35,38)(H,33,34,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Inhibition of VEGFR2 (unknown origin) by liquid scintillation counting				J Med Chem 52: 2265-79 (2009) Article DOI: 10.1021/jm800988r BindingDB Entry DOI: 10.7270/Q2NS0TSP
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM50256929 (CHEMBL514511 | N1-(2-aminophenyl)-N4-(3-(methyl(4-...) Show SMILES CN(C(=O)c1ccc(cc1)C(=O)Nc1ccccc1N)c1cccc(Nc2nccc(n2)-c2cccnc2)c1 Show InChI InChI=1S/C30H25N7O2/c1-37(29(39)21-13-11-20(12-14-21)28(38)35-27-10-3-2-9-25(27)31)24-8-4-7-23(18-24)34-30-33-17-15-26(36-30)22-6-5-16-32-19-22/h2-19H,31H2,1H3,(H,35,38)(H,33,34,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 expressed in HEK293 cells				J Med Chem 52: 2265-79 (2009) Article DOI: 10.1021/jm800988r BindingDB Entry DOI: 10.7270/Q2NS0TSP
					More data for this Ligand-Target Pair