BDBM50238632 (6S,9S,12S,14aR)-6-((S)-sec-Butyl)-9-(1-methoxy-1H-indol-3-ylmethyl)-12-(6-oxo-octyl)-decahydro-4a,7,10,13-tetraaza-benzocyclododecene-5,8,11,14-tetraone::CHEMBL430060::ChEMBL_275631

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]2CCCCN2C1=O

InChI Key: InChIKey=JWOGUUIOCYMBPV-UHFFFAOYSA-N

Data: 4 KI  41 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 46 hits for monomerid = 50238632   

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 8 (Human)	BDBM50238632 ((6S,9S,12S,14aR)-6-((S)-sec-Butyl)-9-(1-methoxy-1H...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Human)	BDBM50238632 ((6S,9S,12S,14aR)-6-((S)-sec-Butyl)-9-(1-methoxy-1H...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Human)	BDBM50238632 ((6S,9S,12S,14aR)-6-((S)-sec-Butyl)-9-(1-methoxy-1H...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Human)	BDBM50238632 ((6S,9S,12S,14aR)-6-((S)-sec-Butyl)-9-(1-methoxy-1H...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Human)	BDBM50238632 ((6S,9S,12S,14aR)-6-((S)-sec-Butyl)-9-(1-methoxy-1H...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Human)	BDBM50238632 ((6S,9S,12S,14aR)-6-((S)-sec-Butyl)-9-(1-methoxy-1H...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Human)	BDBM50238632 ((6S,9S,12S,14aR)-6-((S)-sec-Butyl)-9-(1-methoxy-1H...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	760	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Human)	BDBM50238632 ((6S,9S,12S,14aR)-6-((S)-sec-Butyl)-9-(1-methoxy-1H...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Human)	BDBM50238632 ((6S,9S,12S,14aR)-6-((S)-sec-Butyl)-9-(1-methoxy-1H...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Human)	BDBM50238632 ((6S,9S,12S,14aR)-6-((S)-sec-Butyl)-9-(1-methoxy-1H...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Human)	BDBM50238632 ((6S,9S,12S,14aR)-6-((S)-sec-Butyl)-9-(1-methoxy-1H...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Human)	BDBM50238632 ((6S,9S,12S,14aR)-6-((S)-sec-Butyl)-9-(1-methoxy-1H...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	9.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Human)	BDBM50238632 ((6S,9S,12S,14aR)-6-((S)-sec-Butyl)-9-(1-methoxy-1H...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Human)	BDBM50238632 ((6S,9S,12S,14aR)-6-((S)-sec-Butyl)-9-(1-methoxy-1H...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	755	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Human)	BDBM50238632 ((6S,9S,12S,14aR)-6-((S)-sec-Butyl)-9-(1-methoxy-1H...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Human)	BDBM50238632 ((6S,9S,12S,14aR)-6-((S)-sec-Butyl)-9-(1-methoxy-1H...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) (Human)	BDBM50238632 ((6S,9S,12S,14aR)-6-((S)-sec-Butyl)-9-(1-methoxy-1H...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Human)	BDBM50238632 ((6S,9S,12S,14aR)-6-((S)-sec-Butyl)-9-(1-methoxy-1H...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Human)	BDBM50238632 ((6S,9S,12S,14aR)-6-((S)-sec-Butyl)-9-(1-methoxy-1H...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Human)	BDBM50238632 ((6S,9S,12S,14aR)-6-((S)-sec-Butyl)-9-(1-methoxy-1H...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	750	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) (Human)	BDBM50238632 ((6S,9S,12S,14aR)-6-((S)-sec-Butyl)-9-(1-methoxy-1H...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Human)	BDBM50238632 ((6S,9S,12S,14aR)-6-((S)-sec-Butyl)-9-(1-methoxy-1H...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Human)	BDBM50238632 ((6S,9S,12S,14aR)-6-((S)-sec-Butyl)-9-(1-methoxy-1H...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase (Cryptosporidium parvum)	BDBM50238632 ((6S,9S,12S,14aR)-6-((S)-sec-Butyl)-9-(1-methoxy-1H...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Human)	BDBM50238632 ((6S,9S,12S,14aR)-6-((S)-sec-Butyl)-9-(1-methoxy-1H...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Human)	BDBM50238632 ((6S,9S,12S,14aR)-6-((S)-sec-Butyl)-9-(1-methoxy-1H...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Human)	BDBM50238632 ((6S,9S,12S,14aR)-6-((S)-sec-Butyl)-9-(1-methoxy-1H...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Human)	BDBM50238632 ((6S,9S,12S,14aR)-6-((S)-sec-Butyl)-9-(1-methoxy-1H...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Human)	BDBM50238632 ((6S,9S,12S,14aR)-6-((S)-sec-Butyl)-9-(1-methoxy-1H...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	0.25	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Human)	BDBM50238632 ((6S,9S,12S,14aR)-6-((S)-sec-Butyl)-9-(1-methoxy-1H...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Human)	BDBM50238632 ((6S,9S,12S,14aR)-6-((S)-sec-Butyl)-9-(1-methoxy-1H...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase (Human)	BDBM50238632 ((6S,9S,12S,14aR)-6-((S)-sec-Butyl)-9-(1-methoxy-1H...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase (Cryptosporidium parvum)	BDBM50238632 ((6S,9S,12S,14aR)-6-((S)-sec-Butyl)-9-(1-methoxy-1H...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Human)	BDBM50238632 ((6S,9S,12S,14aR)-6-((S)-sec-Butyl)-9-(1-methoxy-1H...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	760	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase (Cryptosporidium parvum)	BDBM50238632 ((6S,9S,12S,14aR)-6-((S)-sec-Butyl)-9-(1-methoxy-1H...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Human)	BDBM50238632 ((6S,9S,12S,14aR)-6-((S)-sec-Butyl)-9-(1-methoxy-1H...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Human)	BDBM50238632 ((6S,9S,12S,14aR)-6-((S)-sec-Butyl)-9-(1-methoxy-1H...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) (Human)	BDBM50238632 ((6S,9S,12S,14aR)-6-((S)-sec-Butyl)-9-(1-methoxy-1H...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	15.8	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Human)	BDBM50238632 ((6S,9S,12S,14aR)-6-((S)-sec-Butyl)-9-(1-methoxy-1H...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	665	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tissue factor (Human)	BDBM50238632 ((6S,9S,12S,14aR)-6-((S)-sec-Butyl)-9-(1-methoxy-1H...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tissue factor (Human)	BDBM50238632 ((6S,9S,12S,14aR)-6-((S)-sec-Butyl)-9-(1-methoxy-1H...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Human)	BDBM50238632 ((6S,9S,12S,14aR)-6-((S)-sec-Butyl)-9-(1-methoxy-1H...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) (Human)	BDBM50238632 ((6S,9S,12S,14aR)-6-((S)-sec-Butyl)-9-(1-methoxy-1H...) Show SMILES Show InChI	GoogleScholar	UniChem		1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase (Cryptosporidium parvum)	BDBM50238632 ((6S,9S,12S,14aR)-6-((S)-sec-Butyl)-9-(1-methoxy-1H...) Show SMILES Show InChI	GoogleScholar	UniChem		8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Human)	BDBM50238632 ((6S,9S,12S,14aR)-6-((S)-sec-Butyl)-9-(1-methoxy-1H...) Show SMILES Show InChI	GoogleScholar	UniChem		123	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase-like amidohydrolase (Alcaligenes sp. (strain DSM 11172) (Bordetella sp....)	BDBM50238632 ((6S,9S,12S,14aR)-6-((S)-sec-Butyl)-9-(1-methoxy-1H...) Show SMILES Show InChI	GoogleScholar	UniChem		9.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair