BDBM50256975 (4-(2-aminophenylcarbamoyl)benzylamino)methyl nicotinate::CHEMBL514671

SMILES: Nc1ccccc1NC(=O)c1ccc(CNCOC(=O)c2cccnc2)cc1

InChI Key: InChIKey=YPFKJHJILXIYNQ-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50256975   

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))	BDBM50256975 ((4-(2-aminophenylcarbamoyl)benzylamino)methyl nico...) Show SMILES Nc1ccccc1NC(=O)c1ccc(CNCOC(=O)c2cccnc2)cc1 Show InChI InChI=1S/C21H20N4O3/c22-18-5-1-2-6-19(18)25-20(26)16-9-7-15(8-10-16)12-24-14-28-21(27)17-4-3-11-23-13-17/h1-11,13,24H,12,14,22H2,(H,25,26)	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	740	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
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50256975 ((4-(2-aminophenylcarbamoyl)benzylamino)methyl nico...) Show SMILES Nc1ccccc1NC(=O)c1ccc(CNCOC(=O)c2cccnc2)cc1 Show InChI InChI=1S/C21H20N4O3/c22-18-5-1-2-6-19(18)25-20(26)16-9-7-15(8-10-16)12-24-14-28-21(27)17-4-3-11-23-13-17/h1-11,13,24H,12,14,22H2,(H,25,26)	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
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50256975 ((4-(2-aminophenylcarbamoyl)benzylamino)methyl nico...) Show SMILES Nc1ccccc1NC(=O)c1ccc(CNCOC(=O)c2cccnc2)cc1 Show InChI InChI=1S/C21H20N4O3/c22-18-5-1-2-6-19(18)25-20(26)16-9-7-15(8-10-16)12-24-14-28-21(27)17-4-3-11-23-13-17/h1-11,13,24H,12,14,22H2,(H,25,26)	PDB 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	620	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Inhibition of Flag tagged human recombinant HDAC3 expressed in Sf21 cells coexpressing SMRT DAD domain				J Med Chem 53: 8546-55 (2010) Article DOI: 10.1021/jm100665z BindingDB Entry DOI: 10.7270/Q2J38STX
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50256975 ((4-(2-aminophenylcarbamoyl)benzylamino)methyl nico...) Show SMILES Nc1ccccc1NC(=O)c1ccc(CNCOC(=O)c2cccnc2)cc1 Show InChI InChI=1S/C21H20N4O3/c22-18-5-1-2-6-19(18)25-20(26)16-9-7-15(8-10-16)12-24-14-28-21(27)17-4-3-11-23-13-17/h1-11,13,24H,12,14,22H2,(H,25,26)	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	>3.00E+4	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 53: 8546-55 (2010) Article DOI: 10.1021/jm100665z BindingDB Entry DOI: 10.7270/Q2J38STX
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50256975 ((4-(2-aminophenylcarbamoyl)benzylamino)methyl nico...) Show SMILES Nc1ccccc1NC(=O)c1ccc(CNCOC(=O)c2cccnc2)cc1 Show InChI InChI=1S/C21H20N4O3/c22-18-5-1-2-6-19(18)25-20(26)16-9-7-15(8-10-16)12-24-14-28-21(27)17-4-3-11-23-13-17/h1-11,13,24H,12,14,22H2,(H,25,26)	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	82	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 53: 8546-55 (2010) Article DOI: 10.1021/jm100665z BindingDB Entry DOI: 10.7270/Q2J38STX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50256975 ((4-(2-aminophenylcarbamoyl)benzylamino)methyl nico...) Show SMILES Nc1ccccc1NC(=O)c1ccc(CNCOC(=O)c2cccnc2)cc1 Show InChI InChI=1S/C21H20N4O3/c22-18-5-1-2-6-19(18)25-20(26)16-9-7-15(8-10-16)12-24-14-28-21(27)17-4-3-11-23-13-17/h1-11,13,24H,12,14,22H2,(H,25,26)	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	>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 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