BindingDB PrimarySearch

BDBM50132556 (S)-1-(3,3-Dimethyl-2-oxo-pentanoyl)-piperidine-2-carboxylic acid (R)-1-(3-carboxymethoxy-phenyl)-3-(3,4-dimethoxy-phenyl)-propyl ester::CHEMBL321022

SMILES: CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(O)=O)c1

InChI Key: InChIKey=CKUAMXWZIHXZJC-LOSJGSFVSA-N

Data: 1 KI 7 IC50

PDB links: 2 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50132556
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Peptidyl-prolyl cis-trans isomerase FKBP5 (Homo sapiens (Human))	BDBM50132556 ((S)-1-(3,3-Dimethyl-2-oxo-pentanoyl)-piperidine-2-...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Max Institute of Psychiatry Curated by ChEMBL					Assay Description Binding affinity to human FKBP51 by competitive fluorescence polarization assay				J Med Chem 56: 3922-35 (2013) Article DOI: 10.1021/jm400087k BindingDB Entry DOI: 10.7270/Q2QZ2CC1
Max Institute of Psychiatry Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Peptidyl-prolyl cis-trans isomerase FKBP5 (Homo sapiens (Human))	BDBM50132556 ((S)-1-(3,3-Dimethyl-2-oxo-pentanoyl)-piperidine-2-...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	6.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Max Planck Institute of Psychiatry Curated by ChEMBL					Assay Description Binding affinity to FKBP51 FK1 domain by competitive fluorescence polarization assay				J Med Chem 55: 4123-31 (2012) Article DOI: 10.1021/jm201747c BindingDB Entry DOI: 10.7270/Q2QJ7JCV
Max Planck Institute of Psychiatry Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
FK506 binding protein 4 (Homo sapiens (Human))	BDBM50132556 ((S)-1-(3,3-Dimethyl-2-oxo-pentanoyl)-piperidine-2-...) Show SMILES Show InChI	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	PDB Article PubMed	n/a	n/a	1.05E+4	n/a	n/a	n/a	n/a	n/a	n/a
Max Planck Institute of Psychiatry Curated by ChEMBL					Assay Description Binding affinity to FKBP52 FK1 domain by fluorescence polarization assay				J Med Chem 55: 4114-22 (2012) Article DOI: 10.1021/jm201746x BindingDB Entry DOI: 10.7270/Q2KS6SMP
Max Planck Institute of Psychiatry Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Peptidyl-prolyl cis-trans isomerase FKBP1A (Homo sapiens (Human))	BDBM50132556 ((S)-1-(3,3-Dimethyl-2-oxo-pentanoyl)-piperidine-2-...) Show SMILES Show InChI	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	114	n/a	n/a	n/a	n/a	n/a	n/a
Max Planck Institute of Psychiatry Curated by ChEMBL					Assay Description Binding affinity to FKBP12 by competitive fluorescence polarization assay				J Med Chem 55: 4123-31 (2012) Article DOI: 10.1021/jm201747c BindingDB Entry DOI: 10.7270/Q2QJ7JCV
Max Planck Institute of Psychiatry Curated by ChEMBL					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A (Homo sapiens (Human))	BDBM50132556 ((S)-1-(3,3-Dimethyl-2-oxo-pentanoyl)-piperidine-2-...) Show SMILES Show InChI	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	170	n/a	n/a	n/a	n/a	n/a	n/a
Max Planck Institute of Psychiatry Curated by ChEMBL					Assay Description Binding affinity to FKBP12 by fluorescence polarization assay				J Med Chem 55: 4114-22 (2012) Article DOI: 10.1021/jm201746x BindingDB Entry DOI: 10.7270/Q2KS6SMP
Max Planck Institute of Psychiatry Curated by ChEMBL					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5 (Homo sapiens (Human))	BDBM50132556 ((S)-1-(3,3-Dimethyl-2-oxo-pentanoyl)-piperidine-2-...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	8.36E+3	n/a	n/a	n/a	n/a	n/a	n/a
Max Planck Institute of Psychiatry Curated by ChEMBL					Assay Description Binding affinity to FKBP51 FK1 domain by fluorescence polarization assay				J Med Chem 55: 4114-22 (2012) Article DOI: 10.1021/jm201746x BindingDB Entry DOI: 10.7270/Q2KS6SMP
Max Planck Institute of Psychiatry Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Peptidyl-prolyl cis-trans isomerase FKBP1A (Homo sapiens (Human))	BDBM50132556 ((S)-1-(3,3-Dimethyl-2-oxo-pentanoyl)-piperidine-2-...) Show SMILES Show InChI	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	PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
ARIAD Gene Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of binding to Phe36Val (F36V) mutant of FK506 binding protein 12				Bioorg Med Chem Lett 13: 3181-4 (2003) BindingDB Entry DOI: 10.7270/Q2BV7G0S
ARIAD Gene Therapeutics, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
FK506 binding protein 4 (Homo sapiens (Human))	BDBM50132556 ((S)-1-(3,3-Dimethyl-2-oxo-pentanoyl)-piperidine-2-...) Show SMILES Show InChI	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	PDB Article PubMed	n/a	n/a	9.37E+3	n/a	n/a	n/a	n/a	n/a	n/a
Max Planck Institute of Psychiatry Curated by ChEMBL					Assay Description Binding affinity to FKBP52 FK1 domain by competitive fluorescence polarization assay				J Med Chem 55: 4123-31 (2012) Article DOI: 10.1021/jm201747c BindingDB Entry DOI: 10.7270/Q2QJ7JCV
Max Planck Institute of Psychiatry Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)