Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 751.7 BDBM50388299

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 hits in this display   

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
Peptidyl-prolyl cis-trans isomerase FKBP5 (Homo sapiens (Human))	BDBM50388299 (CHEMBL2058795) Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cc(Cl)c(OC)c(Cl)c2)c2cccc(OCCN3CCOCC3)c2)cc1OC |r| Show InChI InChI=1S/C36H44Cl2N2O9S/c1-44-33-13-11-25(21-34(33)45-2)10-12-32(26-7-6-8-27(22-26)48-20-17-39-15-18-47-19-16-39)49-36(41)31-9-4-5-14-40(31)50(42,43)28-23-29(37)35(46-3)30(38)24-28/h6-8,11,13,21-24,31-32H,4-5,9-10,12,14-20H2,1-3H3/t31-,32+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+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 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
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A (Homo sapiens (Human))	BDBM50388299 (CHEMBL2058795) Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cc(Cl)c(OC)c(Cl)c2)c2cccc(OCCN3CCOCC3)c2)cc1OC |r| Show InChI InChI=1S/C36H44Cl2N2O9S/c1-44-33-13-11-25(21-34(33)45-2)10-12-32(26-7-6-8-27(22-26)48-20-17-39-15-18-47-19-16-39)49-36(41)31-9-4-5-14-40(31)50(42,43)28-23-29(37)35(46-3)30(38)24-28/h6-8,11,13,21-24,31-32H,4-5,9-10,12,14-20H2,1-3H3/t31-,32+/m0/s1	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	>5.00E+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 FKBP12 by competitive fluorescence polarization assay				J Med Chem 55: 4123-31 (2012) Article DOI: 10.1021/jm201747c BindingDB Entry DOI: 10.7270/Q2QJ7JCV
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP4 (Homo sapiens (Human))	BDBM50388299 (CHEMBL2058795) Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cc(Cl)c(OC)c(Cl)c2)c2cccc(OCCN3CCOCC3)c2)cc1OC |r| Show InChI InChI=1S/C36H44Cl2N2O9S/c1-44-33-13-11-25(21-34(33)45-2)10-12-32(26-7-6-8-27(22-26)48-20-17-39-15-18-47-19-16-39)49-36(41)31-9-4-5-14-40(31)50(42,43)28-23-29(37)35(46-3)30(38)24-28/h6-8,11,13,21-24,31-32H,4-5,9-10,12,14-20H2,1-3H3/t31-,32+/m0/s1	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	>5.00E+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 competitive fluorescence polarization assay				J Med Chem 55: 4123-31 (2012) Article DOI: 10.1021/jm201747c BindingDB Entry DOI: 10.7270/Q2QJ7JCV
					More data for this Ligand-Target Pair