Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 654.7 BDBM50388292

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))	BDBM50388292 (CHEMBL2058499) Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cc3CCOc3c(N)c2)c2cccc(OCC(O)=O)c2)cc1OC |r| Show InChI InChI=1S/C33H38N2O10S/c1-41-29-12-10-21(16-30(29)42-2)9-11-28(22-6-5-7-24(17-22)44-20-31(36)37)45-33(38)27-8-3-4-14-35(27)46(39,40)25-18-23-13-15-43-32(23)26(34)19-25/h5-7,10,12,16-19,27-28H,3-4,8-9,11,13-15,20,34H2,1-2H3,(H,36,37)/t27-,28+/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	2.57E+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))	BDBM50388292 (CHEMBL2058499) Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cc3CCOc3c(N)c2)c2cccc(OCC(O)=O)c2)cc1OC |r| Show InChI InChI=1S/C33H38N2O10S/c1-41-29-12-10-21(16-30(29)42-2)9-11-28(22-6-5-7-24(17-22)44-20-31(36)37)45-33(38)27-8-3-4-14-35(27)46(39,40)25-18-23-13-15-43-32(23)26(34)19-25/h5-7,10,12,16-19,27-28H,3-4,8-9,11,13-15,20,34H2,1-2H3,(H,36,37)/t27-,28+/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))	BDBM50388292 (CHEMBL2058499) Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cc3CCOc3c(N)c2)c2cccc(OCC(O)=O)c2)cc1OC |r| Show InChI InChI=1S/C33H38N2O10S/c1-41-29-12-10-21(16-30(29)42-2)9-11-28(22-6-5-7-24(17-22)44-20-31(36)37)45-33(38)27-8-3-4-14-35(27)46(39,40)25-18-23-13-15-43-32(23)26(34)19-25/h5-7,10,12,16-19,27-28H,3-4,8-9,11,13-15,20,34H2,1-2H3,(H,36,37)/t27-,28+/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