BDBM50335225 (S)-1-Phenylmethanesulfonyl-piperidine-2-carboxylic acid 3-(3,4,5-trimethoxy-phenyl)-propyl ester::(S)-3-(3,4,5-Trimethoxyphenyl)propyl 1-(benzylsulfonyl)-piperidine-2-carboxylate::CHEMBL109278

SMILES: COc1cc(CCCOC(=O)[C@@H]2CCCCN2S(=O)(=O)Cc2ccccc2)cc(OC)c1OC

InChI Key: InChIKey=WUVVOAPMLQTLBJ-NRFANRHFSA-N

Data: 1 KI  2 IC50

PDB links: 2 PDB IDs match this monomer.

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 3 hits for monomerid = 50335225   

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))	BDBM50335225 ((S)-1-Phenylmethanesulfonyl-piperidine-2-carboxyli...) Show SMILES COc1cc(CCCOC(=O)[C@@H]2CCCCN2S(=O)(=O)Cc2ccccc2)cc(OC)c1OC Show InChI InChI=1S/C25H33NO7S/c1-30-22-16-20(17-23(31-2)24(22)32-3)12-9-15-33-25(27)21-13-7-8-14-26(21)34(28,29)18-19-10-5-4-6-11-19/h4-6,10-11,16-17,21H,7-9,12-15,18H2,1-3H3/t21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Wu£rzburg Curated by ChEMBL					Assay Description Inhibition of FKBP12				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)	BDBM50335225 ((S)-1-Phenylmethanesulfonyl-piperidine-2-carboxyli...) Show SMILES COc1cc(CCCOC(=O)[C@@H]2CCCCN2S(=O)(=O)Cc2ccccc2)cc(OC)c1OC Show InChI InChI=1S/C25H33NO7S/c1-30-22-16-20(17-23(31-2)24(22)32-3)12-9-15-33-25(27)21-13-7-8-14-26(21)34(28,29)18-19-10-5-4-6-11-19/h4-6,10-11,16-17,21H,7-9,12-15,18H2,1-3H3/t21-/m0/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	6.00E+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 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
Peptidyl-prolyl cis-trans isomerase FKBP1A (Homo sapiens (Human))	BDBM50335225 ((S)-1-Phenylmethanesulfonyl-piperidine-2-carboxyli...) Show SMILES COc1cc(CCCOC(=O)[C@@H]2CCCCN2S(=O)(=O)Cc2ccccc2)cc(OC)c1OC Show InChI InChI=1S/C25H33NO7S/c1-30-22-16-20(17-23(31-2)24(22)32-3)12-9-15-33-25(27)21-13-7-8-14-26(21)34(28,29)18-19-10-5-4-6-11-19/h4-6,10-11,16-17,21H,7-9,12-15,18H2,1-3H3/t21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	200	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