Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 624.7 BDBM50388310

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 FKBP1A (Homo sapiens (Human))	BDBM50388310 (CHEMBL2059025) Show SMILES CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCCN2CCOCC2)c1 |r| Show InChI InChI=1S/C35H48N2O8/c1-6-35(2,3)32(38)33(39)37-16-8-11-28(37)34(40)45-29(14-12-25-13-15-30(41-4)31(23-25)42-5)26-9-7-10-27(24-26)44-22-19-36-17-20-43-21-18-36/h7,9-10,13,15,23-24,28-29H,6,8,11-12,14,16-22H2,1-5H3/t28-,29+/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	1.05E+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 fluorescence polarization assay				J Med Chem 55: 4114-22 (2012) Article DOI: 10.1021/jm201746x BindingDB Entry DOI: 10.7270/Q2KS6SMP
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP4 (Homo sapiens (Human))	BDBM50388310 (CHEMBL2059025) Show SMILES CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCCN2CCOCC2)c1 |r| Show InChI InChI=1S/C35H48N2O8/c1-6-35(2,3)32(38)33(39)37-16-8-11-28(37)34(40)45-29(14-12-25-13-15-30(41-4)31(23-25)42-5)26-9-7-10-27(24-26)44-22-19-36-17-20-43-21-18-36/h7,9-10,13,15,23-24,28-29H,6,8,11-12,14,16-22H2,1-5H3/t28-,29+/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	5.55E+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 fluorescence polarization assay				J Med Chem 55: 4114-22 (2012) Article DOI: 10.1021/jm201746x BindingDB Entry DOI: 10.7270/Q2KS6SMP
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5 (Homo sapiens (Human))	BDBM50388310 (CHEMBL2059025) Show SMILES CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCCN2CCOCC2)c1 |r| Show InChI InChI=1S/C35H48N2O8/c1-6-35(2,3)32(38)33(39)37-16-8-11-28(37)34(40)45-29(14-12-25-13-15-30(41-4)31(23-25)42-5)26-9-7-10-27(24-26)44-22-19-36-17-20-43-21-18-36/h7,9-10,13,15,23-24,28-29H,6,8,11-12,14,16-22H2,1-5H3/t28-,29+/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	1.53E+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 fluorescence polarization assay				J Med Chem 55: 4114-22 (2012) Article DOI: 10.1021/jm201746x BindingDB Entry DOI: 10.7270/Q2KS6SMP
					More data for this Ligand-Target Pair