BDBM27771 N-(2-amino-5-phenylphenyl)-4-({[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]amino}methyl)benzamide::US9096559, 63::biphenyl diamine analogue, 19

SMILES: Cc1c(CNCc2ccc(cc2)C(=O)Nc2cc(ccc2N)-c2ccccc2)cnn1C

InChI Key: InChIKey=ZGGMUNJMGPPDEV-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 27771   

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 3 (Homo sapiens (Human))	BDBM27771 (N-(2-amino-5-phenylphenyl)-4-({[(1,5-dimethyl-1H-p...) Show SMILES Cc1c(CNCc2ccc(cc2)C(=O)Nc2cc(ccc2N)-c2ccccc2)cnn1C Show InChI InChI=1S/C26H27N5O/c1-18-23(17-29-31(18)2)16-28-15-19-8-10-21(11-9-19)26(32)30-25-14-22(12-13-24(25)27)20-6-4-3-5-7-20/h3-14,17,28H,15-16,27H2,1-2H3,(H,30,32)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.93E+4	n/a	n/a	n/a	n/a	n/a	25
Merck Research Laboratories					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				Bioorg Med Chem Lett 19: 1168-72 (2009) Article DOI: 10.1016/j.bmcl.2008.12.083 BindingDB Entry DOI: 10.7270/Q2SQ8XQM
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM27771 (N-(2-amino-5-phenylphenyl)-4-({[(1,5-dimethyl-1H-p...) Show SMILES Cc1c(CNCc2ccc(cc2)C(=O)Nc2cc(ccc2N)-c2ccccc2)cnn1C Show InChI InChI=1S/C26H27N5O/c1-18-23(17-29-31(18)2)16-28-15-19-8-10-21(11-9-19)26(32)30-25-14-22(12-13-24(25)27)20-6-4-3-5-7-20/h3-14,17,28H,15-16,27H2,1-2H3,(H,30,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Novel compounds were tested for their ability to inhibit histone deacetylase, subtype 1 (HDAC1) using an in vitro deacetylation assay. The enzyme sou...				US Patent US9096559 (2015) BindingDB Entry DOI: 10.7270/Q2K07317
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM27771 (N-(2-amino-5-phenylphenyl)-4-({[(1,5-dimethyl-1H-p...) Show SMILES Cc1c(CNCc2ccc(cc2)C(=O)Nc2cc(ccc2N)-c2ccccc2)cnn1C Show InChI InChI=1S/C26H27N5O/c1-18-23(17-29-31(18)2)16-28-15-19-8-10-21(11-9-19)26(32)30-25-14-22(12-13-24(25)27)20-6-4-3-5-7-20/h3-14,17,28H,15-16,27H2,1-2H3,(H,30,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	8.0	37
Merck Research Laboratories					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				Bioorg Med Chem Lett 19: 1168-72 (2009) Article DOI: 10.1016/j.bmcl.2008.12.083 BindingDB Entry DOI: 10.7270/Q2SQ8XQM
					More data for this Ligand-Target Pair