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BDBM50106701 CHEMBL435980::Formic acid 5,5,6a,12b-tetramethyl-11-oxo-9-pyridin-3-yl-1,3,4,4a,5,6,6a,7,11,12,12a,12b-dodecahydro-2H-10-oxa-benzo[a]anthracen-3-yl ester

SMILES: CC1(C)C[C@@]2(C)Cc3cc(oc(=O)c3C[C@@H]2[C@@]2(C)CC[C@@H](CC12)OC=O)-c1cccnc1

InChI Key: InChIKey=SKIAHFIRQMLLQH-ZIDXKOOQSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50106701   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Sterol O-acyltransferase, Soat


(Rattus norvegicus)		BDBM50106701
PNG
(CHEMBL435980 | Formic acid 5,5,6a,12b-tetramethyl-...)
Show SMILES CC1(C)C[C@@]2(C)Cc3cc(oc(=O)c3C[C@@H]2[C@@]2(C)CC[C@@H](CC12)OC=O)-c1cccnc1
Show InChI InChI=1S/C27H33NO4/c1-25(2)15-26(3)13-18-10-21(17-6-5-9-28-14-17)32-24(30)20(18)12-23(26)27(4)8-7-19(31-16-29)11-22(25)27/h5-6,9-10,14,16,19,22-23H,7-8,11-13,15H2,1-4H3/t19-,22?,23-,26+,27-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 4.20E+4n/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
In vitro acyl-coenzyme A:cholesterol acyltransferase inhibition in rat liver microsomes

J Med Chem 44: 4292-5 (2001)


BindingDB Entry DOI: 10.7270/Q2W37VMS
More data for this
Ligand-Target Pair