BDBM50220248 (S)-tert-butyl 4-(5-((2-aminophenyl)carbamoyl)pyridin-2-yl)-2-methylpiperazine-1-carboxylate::CHEMBL391698

SMILES: C[C@H]1CN(CCN1C(=O)OC(C)(C)C)c1ccc(cn1)C(=O)Nc1ccccc1N

InChI Key: InChIKey=KEYOAKKXPZMDPA-HNNXBMFYSA-N

Data: 1 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 1 hit for monomerid = 50220248   

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))	BDBM50220248 ((S)-tert-butyl 4-(5-((2-aminophenyl)carbamoyl)pyri...) Show SMILES C[C@H]1CN(CCN1C(=O)OC(C)(C)C)c1ccc(cn1)C(=O)Nc1ccccc1N Show InChI InChI=1S/C22H29N5O3/c1-15-14-26(11-12-27(15)21(29)30-22(2,3)4)19-10-9-16(13-24-19)20(28)25-18-8-6-5-7-17(18)23/h5-10,13,15H,11-12,14,23H2,1-4H3,(H,25,28)/t15-/m0/s1	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	242	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC1				Bioorg Med Chem Lett 17: 5300-9 (2007) Article DOI: 10.1016/j.bmcl.2007.08.023 BindingDB Entry DOI: 10.7270/Q2571BQH
					More data for this Ligand-Target Pair