BDBM50388321 CHEMBL2059035

SMILES: CC[C@@H]1CCCC[C@@]1(O)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCCN2CCOCC2)c1

InChI Key: InChIKey=LNUPCOUTUZFNRK-FHBSPUQQSA-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 = 50388321   

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))	BDBM50388321 (CHEMBL2059035) Show SMILES CC[C@@H]1CCCC[C@@]1(O)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCCN2CCOCC2)c1 |r| Show InChI InChI=1S/C39H54N2O9/c1-4-30-11-5-7-18-39(30,45)36(42)37(43)41-19-8-6-13-32(41)38(44)50-33(16-14-28-15-17-34(46-2)35(26-28)47-3)29-10-9-12-31(27-29)49-25-22-40-20-23-48-24-21-40/h9-10,12,15,17,26-27,30,32-33,45H,4-8,11,13-14,16,18-25H2,1-3H3/t30-,32+,33-,39+/m1/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	470	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
FK506 binding protein 4 (Homo sapiens (Human))	BDBM50388321 (CHEMBL2059035) Show SMILES CC[C@@H]1CCCC[C@@]1(O)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCCN2CCOCC2)c1 |r| Show InChI InChI=1S/C39H54N2O9/c1-4-30-11-5-7-18-39(30,45)36(42)37(43)41-19-8-6-13-32(41)38(44)50-33(16-14-28-15-17-34(46-2)35(26-28)47-3)29-10-9-12-31(27-29)49-25-22-40-20-23-48-24-21-40/h9-10,12,15,17,26-27,30,32-33,45H,4-8,11,13-14,16,18-25H2,1-3H3/t30-,32+,33-,39+/m1/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	3.72E+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))	BDBM50388321 (CHEMBL2059035) Show SMILES CC[C@@H]1CCCC[C@@]1(O)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCCN2CCOCC2)c1 |r| Show InChI InChI=1S/C39H54N2O9/c1-4-30-11-5-7-18-39(30,45)36(42)37(43)41-19-8-6-13-32(41)38(44)50-33(16-14-28-15-17-34(46-2)35(26-28)47-3)29-10-9-12-31(27-29)49-25-22-40-20-23-48-24-21-40/h9-10,12,15,17,26-27,30,32-33,45H,4-8,11,13-14,16,18-25H2,1-3H3/t30-,32+,33-,39+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.66E+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 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