Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carboxylic ester hydrolase' and Ligand = 'BDBM10945'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Carboxylic ester hydrolase (Rattus norvegicus (rat))	BDBM10945 ((1R,10R)-16-methyl-14-{3-[methyl({6-[methyl({3-[(1...) Show SMILES CN(CCCCCCN(C)CCC(=O)N1CCC[C@@H]2C3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3)CCC(=O)N1CCC[C@@H]2C3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3 |r,c:34,61,TLB:40:41:43.44.50:55.53.52,17:18:20.21.27:32.30.29,49:50:41:55.53.52,26:27:18:32.30.29,THB:31:30:18:20.21.27,45:44:41:55.53.52,54:53:41:43.44.50,22:21:18:32.30.29| Show InChI InChI=1S/C46H64N6O4/c1-31-25-33-27-39-37(13-15-41(53)47-39)45(29-31)35(33)11-9-21-51(45)43(55)17-23-49(3)19-7-5-6-8-20-50(4)24-18-44(56)52-22-10-12-36-34-26-32(2)30-46(36,52)38-14-16-42(54)48-40(38)28-34/h13-16,25-26,33-36H,5-12,17-24,27-30H2,1-4H3,(H,47,53)(H,48,54)/t33?,34?,35-,36-,45-,46-/m1/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.79E+4	n/a	n/a	n/a	n/a	7.4	37
Shanghai Institute of Materia Medica					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at...				J Med Chem 48: 655-7 (2005) Article DOI: 10.1021/jm0496178 BindingDB Entry DOI: 10.7270/Q2FQ9TT0
					More data for this Ligand-Target Pair