BDBM50366706 CHEMBL1793810

SMILES: CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2CC1=O

InChI Key: InChIKey=WMMGXRCXFKMSGF-YZQQIFRVSA-N

Data: 2 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 2 hits for monomerid = 50366706   

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 (Homo sapiens (Human))	BDBM50366706 (CHEMBL1793810) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2CC1=O Show InChI InChI=1S/C35H51N5O6/c1-5-23(3)32-31(42)22-39-19-13-12-18-30(39)35(45)36-27(16-9-7-8-14-25(41)6-2)33(43)37-28(34(44)38-32)20-24-21-40(46-4)29-17-11-10-15-26(24)29/h10-11,15,17,21,23,27-28,30,32H,5-9,12-14,16,18-20,22H2,1-4H3,(H,36,45)(H,37,43)(H,38,44)/t23-,27-,28-,30+,32-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against histone deacetylase (HDAC) derived from partially purified extracts of human HeLa cells				Bioorg Med Chem Lett 11: 107-11 (2001) BindingDB Entry DOI: 10.7270/Q2QR4XNX
					More data for this Ligand-Target Pair
Histone deacetylase (Cryptosporidium parvum)	BDBM50366706 (CHEMBL1793810) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2CC1=O Show InChI InChI=1S/C35H51N5O6/c1-5-23(3)32-31(42)22-39-19-13-12-18-30(39)35(45)36-27(16-9-7-8-14-25(41)6-2)33(43)37-28(34(44)38-32)20-24-21-40(46-4)29-17-11-10-15-26(24)29/h10-11,15,17,21,23,27-28,30,32H,5-9,12-14,16,18-20,22H2,1-4H3,(H,36,45)(H,37,43)(H,38,44)/t23-,27-,28-,30+,32-/m0/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against histone deacetylase (HDAC) from partially purified extracts of Eimeria tenella protozoal cells				Bioorg Med Chem Lett 11: 107-11 (2001) BindingDB Entry DOI: 10.7270/Q2QR4XNX
					More data for this Ligand-Target Pair