Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 662.1 BDBM50388283

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))	BDBM50388283 (CHEMBL2058237) Show SMILES COc1ccc(cc1Cl)S(=O)(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(O)=O)c1 |r| Show InChI InChI=1S/C32H36ClNO10S/c1-40-28-15-12-24(19-25(28)33)45(38,39)34-16-5-4-9-26(34)32(37)44-27(22-7-6-8-23(18-22)43-20-31(35)36)13-10-21-11-14-29(41-2)30(17-21)42-3/h6-8,11-12,14-15,17-19,26-27H,4-5,9-10,13,16,20H2,1-3H3,(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	600	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))	BDBM50388283 (CHEMBL2058237) Show SMILES COc1ccc(cc1Cl)S(=O)(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(O)=O)c1 |r| Show InChI InChI=1S/C32H36ClNO10S/c1-40-28-15-12-24(19-25(28)33)45(38,39)34-16-5-4-9-26(34)32(37)44-27(22-7-6-8-23(18-22)43-20-31(35)36)13-10-21-11-14-29(41-2)30(17-21)42-3/h6-8,11-12,14-15,17-19,26-27H,4-5,9-10,13,16,20H2,1-3H3,(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	2.96E+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 FKBP4 (Homo sapiens (Human))	BDBM50388283 (CHEMBL2058237) Show SMILES COc1ccc(cc1Cl)S(=O)(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(O)=O)c1 |r| Show InChI InChI=1S/C32H36ClNO10S/c1-40-28-15-12-24(19-25(28)33)45(38,39)34-16-5-4-9-26(34)32(37)44-27(22-7-6-8-23(18-22)43-20-31(35)36)13-10-21-11-14-29(41-2)30(17-21)42-3/h6-8,11-12,14-15,17-19,26-27H,4-5,9-10,13,16,20H2,1-3H3,(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	4.03E+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