BDBM50335223 3-(3,4,5-trimethoxyphenyl)propyl 1-(3-methyl-2-oxopentanoyl)piperidine-2-carboxylate::CHEMBL1650945

SMILES: CCC(C)C(=O)C(=O)N1CCCCC1C(=O)OCCCc1cc(OC)c(OC)c(OC)c1

InChI Key: InChIKey=UBCICOPKLTVUSO-UHFFFAOYSA-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 = 50335223   

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
Peptidyl-prolyl cis-trans isomerase FKBP1A (Homo sapiens (Human))	BDBM50335223 (3-(3,4,5-trimethoxyphenyl)propyl 1-(3-methyl-2-oxo...) Show SMILES CCC(C)C(=O)C(=O)N1CCCCC1C(=O)OCCCc1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C24H35NO7/c1-6-16(2)21(26)23(27)25-12-8-7-11-18(25)24(28)32-13-9-10-17-14-19(29-3)22(31-5)20(15-17)30-4/h14-16,18H,6-13H2,1-5H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Wu£rzburg Curated by ChEMBL					Assay Description Inhibition of PPIase activity of human FKBP12 expressed in Escherichia coli by spectrophotometry				J Med Chem 54: 277-83 (2011) Article DOI: 10.1021/jm101156y BindingDB Entry DOI: 10.7270/Q2GF0VG2
					More data for this Ligand-Target Pair
Outer membrane protein MIP (Legionella pneumophila)	BDBM50335223 (3-(3,4,5-trimethoxyphenyl)propyl 1-(3-methyl-2-oxo...) Show SMILES CCC(C)C(=O)C(=O)N1CCCCC1C(=O)OCCCc1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C24H35NO7/c1-6-16(2)21(26)23(27)25-12-8-7-11-18(25)24(28)32-13-9-10-17-14-19(29-3)22(31-5)20(15-17)30-4/h14-16,18H,6-13H2,1-5H3	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Wu£rzburg Curated by ChEMBL					Assay Description Inhibition of PPIase activity of Legionella pneumophila MIP protein expressed in Escherichia coli by spectrophotometry				J Med Chem 54: 277-83 (2011) Article DOI: 10.1021/jm101156y BindingDB Entry DOI: 10.7270/Q2GF0VG2
					More data for this Ligand-Target Pair