BDBM50388267 CHEMBL2058797

SMILES: COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cc(Cl)c(NC(C)=O)c(Cl)c2)c2cccc(OCCN3CCOCC3)c2)cc1OC

InChI Key: InChIKey=ZSNBYQQLJAZHBE-JHOUSYSJSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50388267   

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))	BDBM50388267 (CHEMBL2058797) Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cc(Cl)c(NC(C)=O)c(Cl)c2)c2cccc(OCCN3CCOCC3)c2)cc1OC |r| Show InChI InChI=1S/C37H45Cl2N3O9S/c1-25(43)40-36-30(38)23-29(24-31(36)39)52(45,46)42-14-5-4-9-32(42)37(44)51-33(12-10-26-11-13-34(47-2)35(21-26)48-3)27-7-6-8-28(22-27)50-20-17-41-15-18-49-19-16-41/h6-8,11,13,21-24,32-33H,4-5,9-10,12,14-20H2,1-3H3,(H,40,43)/t32-,33+/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	450	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
FK506 binding protein 4 (Homo sapiens (Human))	BDBM50388267 (CHEMBL2058797) Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cc(Cl)c(NC(C)=O)c(Cl)c2)c2cccc(OCCN3CCOCC3)c2)cc1OC |r| Show InChI InChI=1S/C37H45Cl2N3O9S/c1-25(43)40-36-30(38)23-29(24-31(36)39)52(45,46)42-14-5-4-9-32(42)37(44)51-33(12-10-26-11-13-34(47-2)35(21-26)48-3)27-7-6-8-28(22-27)50-20-17-41-15-18-49-19-16-41/h6-8,11,13,21-24,32-33H,4-5,9-10,12,14-20H2,1-3H3,(H,40,43)/t32-,33+/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	8.30E+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 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))	BDBM50388267 (CHEMBL2058797) Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cc(Cl)c(NC(C)=O)c(Cl)c2)c2cccc(OCCN3CCOCC3)c2)cc1OC |r| Show InChI InChI=1S/C37H45Cl2N3O9S/c1-25(43)40-36-30(38)23-29(24-31(36)39)52(45,46)42-14-5-4-9-32(42)37(44)51-33(12-10-26-11-13-34(47-2)35(21-26)48-3)27-7-6-8-28(22-27)50-20-17-41-15-18-49-19-16-41/h6-8,11,13,21-24,32-33H,4-5,9-10,12,14-20H2,1-3H3,(H,40,43)/t32-,33+/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	1.23E+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