BDBM25142 (3S,6S,9S,15aR)-9-[(2R)-butan-2-yl]-6-[(1-methoxy-1H-indol-3-yl)methyl]-3-(6-oxooctyl)-tetradecahydro-1H-pyrido[1,2-a][,,,]cyclododecane-1,4,7,10-tetrone::Apicidin

SMILES: CCC(C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O

InChI Key: InChIKey=JWOGUUIOCYMBPV-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 25142   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Histone deacetylase 1 (Human)	BDBM25142 ((3S,6S,9S,15aR)-9-[(2R)-butan-2-yl]-6-[(1-methoxy-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	44	n/a	n/a	n/a	n/a	8.0	37
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Human)	BDBM25142 ((3S,6S,9S,15aR)-9-[(2R)-butan-2-yl]-6-[(1-methoxy-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	23	n/a	n/a	n/a	n/a	8.0	37
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Human)	BDBM25142 ((3S,6S,9S,15aR)-9-[(2R)-butan-2-yl]-6-[(1-methoxy-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	9.70	n/a	n/a	n/a	n/a	8.0	37
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 4 [653-1084,H976Y] (Human)	BDBM25142 ((3S,6S,9S,15aR)-9-[(2R)-butan-2-yl]-6-[(1-methoxy-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	7.5	37
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Human)	BDBM25142 ((3S,6S,9S,15aR)-9-[(2R)-butan-2-yl]-6-[(1-methoxy-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	8.70E+3	n/a	n/a	n/a	n/a	n/a	25
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Human)	BDBM25142 ((3S,6S,9S,15aR)-9-[(2R)-butan-2-yl]-6-[(1-methoxy-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.30E+3	n/a	n/a	n/a	n/a	n/a	25
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase (Plasmodium falciparum (isolate 3D7))	BDBM25142 ((3S,6S,9S,15aR)-9-[(2R)-butan-2-yl]-6-[(1-methoxy-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	23
TBA									Citation and Details
					More data for this Ligand-Target Pair