BDBM50162662 CHEMBL3793635

SMILES: COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)N[C@H](C(C)C)C(N)=O

InChI Key: InChIKey=WBLIBULBXNVHFE-NKKJXINNSA-N

Data: 2 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 2 hits for monomerid = 50162662   

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))	BDBM50162662 (CHEMBL3793635) Show SMILES COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)N[C@H](C(C)C)C(N)=O |r| Show InChI InChI=1S/C28H43N3O6/c1-17(2)24(26(29)32)30-27(33)20-13-9-10-14-31(20)28(34)23(18-11-7-6-8-12-18)19-15-21(35-3)25(37-5)22(16-19)36-4/h15-18,20,23-24H,6-14H2,1-5H3,(H2,29,32)(H,30,33)/t20-,23-,24+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.00E+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 FKBP51 FK506-binding domain (1 to 140 amino acids) (unknown origin) incubated for 30 mins using fluorescein-conjugated 2-(5-((2-(...				J Med Chem 59: 2410-22 (2016) BindingDB Entry DOI: 10.7270/Q2BZ67Z3
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A (Homo sapiens (Human))	BDBM50162662 (CHEMBL3793635) Show SMILES COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)N[C@H](C(C)C)C(N)=O |r| Show InChI InChI=1S/C28H43N3O6/c1-17(2)24(26(29)32)30-27(33)20-13-9-10-14-31(20)28(34)23(18-11-7-6-8-12-18)19-15-21(35-3)25(37-5)22(16-19)36-4/h15-18,20,23-24H,6-14H2,1-5H3,(H2,29,32)(H,30,33)/t20-,23-,24+/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	3.97E+4	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 human FKBP12 FK1 domain incubated for 30 mins using fluorescein-conjugated 2-(5-((2-(3-((R)-3-(3,4-dimethoxyphenyl)-1-((S)-1-(3,3...				J Med Chem 59: 2410-22 (2016) BindingDB Entry DOI: 10.7270/Q2BZ67Z3
					More data for this Ligand-Target Pair