BDBM50162676 CHEMBL3794045

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

InChI Key: InChIKey=XFBVMTUPVXNDFC-JTAQYXEDSA-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 = 50162676   

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))	BDBM50162676 (CHEMBL3794045) Show SMILES COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)N[C@@H](CCO)C(N)=O |r| Show InChI InChI=1S/C27H41N3O7/c1-35-21-15-18(16-22(36-2)24(21)37-3)23(17-9-5-4-6-10-17)27(34)30-13-8-7-11-20(30)26(33)29-19(12-14-31)25(28)32/h15-17,19-20,23,31H,4-14H2,1-3H3,(H2,28,32)(H,29,33)/t19-,20-,23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.30E+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 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))	BDBM50162676 (CHEMBL3794045) Show SMILES COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)N[C@@H](CCO)C(N)=O |r| Show InChI InChI=1S/C27H41N3O7/c1-35-21-15-18(16-22(36-2)24(21)37-3)23(17-9-5-4-6-10-17)27(34)30-13-8-7-11-20(30)26(33)29-19(12-14-31)25(28)32/h15-17,19-20,23,31H,4-14H2,1-3H3,(H2,28,32)(H,29,33)/t19-,20-,23-/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	3.17E+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 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