Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 657.7 BDBM50388282

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

Found 3 hits in this display   

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))	BDBM50388282 (CHEMBL2058236) Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(OC)c(OC)c2)c2cccc(OCC(O)=O)c2)cc1OC |r| Show InChI InChI=1S/C33H39NO11S/c1-40-28-15-12-22(18-30(28)42-3)11-14-27(23-8-7-9-24(19-23)44-21-32(35)36)45-33(37)26-10-5-6-17-34(26)46(38,39)25-13-16-29(41-2)31(20-25)43-4/h7-9,12-13,15-16,18-20,26-27H,5-6,10-11,14,17,21H2,1-4H3,(H,35,36)/t26-,27+/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	7.60E+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 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 FKBP5 (Homo sapiens (Human))	BDBM50388282 (CHEMBL2058236) Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(OC)c(OC)c2)c2cccc(OCC(O)=O)c2)cc1OC |r| Show InChI InChI=1S/C33H39NO11S/c1-40-28-15-12-22(18-30(28)42-3)11-14-27(23-8-7-9-24(19-23)44-21-32(35)36)45-33(37)26-10-5-6-17-34(26)46(38,39)25-13-16-29(41-2)31(20-25)43-4/h7-9,12-13,15-16,18-20,26-27H,5-6,10-11,14,17,21H2,1-4H3,(H,35,36)/t26-,27+/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	>1.00E+5	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 FKBP4 (Homo sapiens (Human))	BDBM50388282 (CHEMBL2058236) Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(OC)c(OC)c2)c2cccc(OCC(O)=O)c2)cc1OC |r| Show InChI InChI=1S/C33H39NO11S/c1-40-28-15-12-22(18-30(28)42-3)11-14-27(23-8-7-9-24(19-23)44-21-32(35)36)45-33(37)26-10-5-6-17-34(26)46(38,39)25-13-16-29(41-2)31(20-25)43-4/h7-9,12-13,15-16,18-20,26-27H,5-6,10-11,14,17,21H2,1-4H3,(H,35,36)/t26-,27+/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	>1.00E+5	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