BDBM50334366 CHEMBL1643308::N-(2-aminophenyl)-3-(4-(1-(2-morpholinoethylamino)-2-oxo-2-(4-(trifluoromethyl)phenylamino)ethyl)phenyl)acrylamide

SMILES: Nc1ccccc1NC(=O)\C=C\c1ccc(cc1)C(NCCN1CCOCC1)C(=O)Nc1ccc(cc1)C(F)(F)F

InChI Key: InChIKey=APFIGEZLZRKKKP-VGOFMYFVSA-N

Data: 4 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 4 hits for monomerid = 50334366   

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))	BDBM50334366 (CHEMBL1643308 | N-(2-aminophenyl)-3-(4-(1-(2-morph...) Show SMILES Nc1ccccc1NC(=O)\C=C\c1ccc(cc1)C(NCCN1CCOCC1)C(=O)Nc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C30H32F3N5O3/c31-30(32,33)23-10-12-24(13-11-23)36-29(40)28(35-15-16-38-17-19-41-20-18-38)22-8-5-21(6-9-22)7-14-27(39)37-26-4-2-1-3-25(26)34/h1-14,28,35H,15-20,34H2,(H,36,40)(H,37,39)/b14-7+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Roche R&D Center China Ltd Curated by ChEMBL					Assay Description Inhibition of HDAC1				Bioorg Med Chem Lett 21: 110-6 (2010) Article DOI: 10.1016/j.bmcl.2010.11.063 BindingDB Entry DOI: 10.7270/Q2S182S8
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50334366 (CHEMBL1643308 | N-(2-aminophenyl)-3-(4-(1-(2-morph...) Show SMILES Nc1ccccc1NC(=O)\C=C\c1ccc(cc1)C(NCCN1CCOCC1)C(=O)Nc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C30H32F3N5O3/c31-30(32,33)23-10-12-24(13-11-23)36-29(40)28(35-15-16-38-17-19-41-20-18-38)22-8-5-21(6-9-22)7-14-27(39)37-26-4-2-1-3-25(26)34/h1-14,28,35H,15-20,34H2,(H,36,40)(H,37,39)/b14-7+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Roche R&D Center-China Ltd. Curated by ChEMBL					Assay Description Inhibition of HDAC1 using p53 (379 to 382 residues) based fluorogenic peptide substrate				J Med Chem 55: 8903-25 (2012) Article DOI: 10.1021/jm3011838 BindingDB Entry DOI: 10.7270/Q2TT4S3Q
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50334366 (CHEMBL1643308 | N-(2-aminophenyl)-3-(4-(1-(2-morph...) Show SMILES Nc1ccccc1NC(=O)\C=C\c1ccc(cc1)C(NCCN1CCOCC1)C(=O)Nc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C30H32F3N5O3/c31-30(32,33)23-10-12-24(13-11-23)36-29(40)28(35-15-16-38-17-19-41-20-18-38)22-8-5-21(6-9-22)7-14-27(39)37-26-4-2-1-3-25(26)34/h1-14,28,35H,15-20,34H2,(H,36,40)(H,37,39)/b14-7+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
Roche R&D Center China Ltd Curated by ChEMBL					Assay Description Inhibition of HDAC3				Bioorg Med Chem Lett 21: 110-6 (2010) Article DOI: 10.1016/j.bmcl.2010.11.063 BindingDB Entry DOI: 10.7270/Q2S182S8
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50334366 (CHEMBL1643308 | N-(2-aminophenyl)-3-(4-(1-(2-morph...) Show SMILES Nc1ccccc1NC(=O)\C=C\c1ccc(cc1)C(NCCN1CCOCC1)C(=O)Nc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C30H32F3N5O3/c31-30(32,33)23-10-12-24(13-11-23)36-29(40)28(35-15-16-38-17-19-41-20-18-38)22-8-5-21(6-9-22)7-14-27(39)37-26-4-2-1-3-25(26)34/h1-14,28,35H,15-20,34H2,(H,36,40)(H,37,39)/b14-7+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
Roche R&D Center China Ltd Curated by ChEMBL					Assay Description Inhibition of HDAC2				Bioorg Med Chem Lett 21: 110-6 (2010) Article DOI: 10.1016/j.bmcl.2010.11.063 BindingDB Entry DOI: 10.7270/Q2S182S8
					More data for this Ligand-Target Pair