BDBM50162667 CHEMBL3793643

SMILES: COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)N[C@H](C(N)=O)c1ccccc1

InChI Key: InChIKey=SPRXTYFWDQLLPE-YGPDHOBYSA-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 = 50162667   

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))	BDBM50162667 (CHEMBL3793643) Show SMILES COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)N[C@H](C(N)=O)c1ccccc1 |r| Show InChI InChI=1S/C31H41N3O6/c1-38-24-18-22(19-25(39-2)28(24)40-3)26(20-12-6-4-7-13-20)31(37)34-17-11-10-16-23(34)30(36)33-27(29(32)35)21-14-8-5-9-15-21/h5,8-9,14-15,18-20,23,26-27H,4,6-7,10-13,16-17H2,1-3H3,(H2,32,35)(H,33,36)/t23-,26-,27-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.10E+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))	BDBM50162667 (CHEMBL3793643) Show SMILES COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)N[C@H](C(N)=O)c1ccccc1 |r| Show InChI InChI=1S/C31H41N3O6/c1-38-24-18-22(19-25(39-2)28(24)40-3)26(20-12-6-4-7-13-20)31(37)34-17-11-10-16-23(34)30(36)33-27(29(32)35)21-14-8-5-9-15-21/h5,8-9,14-15,18-20,23,26-27H,4,6-7,10-13,16-17H2,1-3H3,(H2,32,35)(H,33,36)/t23-,26-,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	PubMed	7.50E+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 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