BDBM50125331 CHEMBL3623614

SMILES: COc1cccc(c1)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(O)=O)c1

InChI Key: InChIKey=NNWBKWYGTHGRIN-ITNZDWJRSA-N

Data: 3 KI

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 = 50125331   

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))	BDBM50125331 (CHEMBL3623614) Show SMILES COc1cccc(c1)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(O)=O)c1 |r| Show InChI InChI=1S/C40H49NO9/c1-46-31-15-10-14-30(25-31)38(28-11-5-4-6-12-28)39(44)41-22-8-7-17-33(41)40(45)50-34(29-13-9-16-32(24-29)49-26-37(42)43)20-18-27-19-21-35(47-2)36(23-27)48-3/h9-10,13-16,19,21,23-25,28,33-34,38H,4-8,11-12,17-18,20,22,26H2,1-3H3,(H,42,43)/t33-,34+,38-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Max Planck Institute of Psychiatry Curated by ChEMBL					Assay Description Displacement of iFit-FL from FKBP51 (unknown origin) by fluorescence polarization assay				J Med Chem 58: 7796-806 (2015) BindingDB Entry DOI: 10.7270/Q25Q4XWR
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A (Homo sapiens (Human))	BDBM50125331 (CHEMBL3623614) Show SMILES COc1cccc(c1)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(O)=O)c1 |r| Show InChI InChI=1S/C40H49NO9/c1-46-31-15-10-14-30(25-31)38(28-11-5-4-6-12-28)39(44)41-22-8-7-17-33(41)40(45)50-34(29-13-9-16-32(24-29)49-26-37(42)43)20-18-27-19-21-35(47-2)36(23-27)48-3/h9-10,13-16,19,21,23-25,28,33-34,38H,4-8,11-12,17-18,20,22,26H2,1-3H3,(H,42,43)/t33-,34+,38-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.20E+3	n/a	n/a	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 (unknown origin) by competitive fluorescence polarization assay				J Med Chem 58: 7796-806 (2015) BindingDB Entry DOI: 10.7270/Q25Q4XWR
					More data for this Ligand-Target Pair
FK506 binding protein 4 (Homo sapiens (Human))	BDBM50125331 (CHEMBL3623614) Show SMILES COc1cccc(c1)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(O)=O)c1 |r| Show InChI InChI=1S/C40H49NO9/c1-46-31-15-10-14-30(25-31)38(28-11-5-4-6-12-28)39(44)41-22-8-7-17-33(41)40(45)50-34(29-13-9-16-32(24-29)49-26-37(42)43)20-18-27-19-21-35(47-2)36(23-27)48-3/h9-10,13-16,19,21,23-25,28,33-34,38H,4-8,11-12,17-18,20,22,26H2,1-3H3,(H,42,43)/t33-,34+,38-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+5	n/a	n/a	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 (unknown origin) by competitive fluorescence polarization assay				J Med Chem 58: 7796-806 (2015) BindingDB Entry DOI: 10.7270/Q25Q4XWR
					More data for this Ligand-Target Pair