BDBM50388289 CHEMBL2058495

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

InChI Key: InChIKey=CBABDOYFTDRWNT-RRPNLBNLSA-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 = 50388289   

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 FKBP5 (Homo sapiens (Human))	BDBM50388289 (CHEMBL2058495) Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cc(Cl)c(OC)c(Cl)c2)c2cccc(OCC(O)=O)c2)cc1OC |r| Show InChI InChI=1S/C32H35Cl2NO10S/c1-41-28-13-11-20(15-29(28)42-2)10-12-27(21-7-6-8-22(16-21)44-19-30(36)37)45-32(38)26-9-4-5-14-35(26)46(39,40)23-17-24(33)31(43-3)25(34)18-23/h6-8,11,13,15-18,26-27H,4-5,9-10,12,14,19H2,1-3H3,(H,36,37)/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	1.64E+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 FKBP1A (Homo sapiens (Human))	BDBM50388289 (CHEMBL2058495) Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cc(Cl)c(OC)c(Cl)c2)c2cccc(OCC(O)=O)c2)cc1OC |r| Show InChI InChI=1S/C32H35Cl2NO10S/c1-41-28-13-11-20(15-29(28)42-2)10-12-27(21-7-6-8-22(16-21)44-19-30(36)37)45-32(38)26-9-4-5-14-35(26)46(39,40)23-17-24(33)31(43-3)25(34)18-23/h6-8,11,13,15-18,26-27H,4-5,9-10,12,14,19H2,1-3H3,(H,36,37)/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	230	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))	BDBM50388289 (CHEMBL2058495) Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cc(Cl)c(OC)c(Cl)c2)c2cccc(OCC(O)=O)c2)cc1OC |r| Show InChI InChI=1S/C32H35Cl2NO10S/c1-41-28-13-11-20(15-29(28)42-2)10-12-27(21-7-6-8-22(16-21)44-19-30(36)37)45-32(38)26-9-4-5-14-35(26)46(39,40)23-17-24(33)31(43-3)25(34)18-23/h6-8,11,13,15-18,26-27H,4-5,9-10,12,14,19H2,1-3H3,(H,36,37)/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	1.77E+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