BDBM50162681 CHEMBL3793942

SMILES: COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)N[C@H](Cc1cnc[nH]1)C(N)=O

InChI Key: InChIKey=WDKLUIJPVYKSGL-SLSDLSHTSA-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 = 50162681   

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))	BDBM50162681 (CHEMBL3793942) Show SMILES COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)N[C@H](Cc1cnc[nH]1)C(N)=O |r| Show InChI InChI=1S/C29H41N5O6/c1-38-23-13-19(14-24(39-2)26(23)40-3)25(18-9-5-4-6-10-18)29(37)34-12-8-7-11-22(34)28(36)33-21(27(30)35)15-20-16-31-17-32-20/h13-14,16-18,21-22,25H,4-12,15H2,1-3H3,(H2,30,35)(H,31,32)(H,33,36)/t21-,22+,25+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.80E+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))	BDBM50162681 (CHEMBL3793942) Show SMILES COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)N[C@H](Cc1cnc[nH]1)C(N)=O |r| Show InChI InChI=1S/C29H41N5O6/c1-38-23-13-19(14-24(39-2)26(23)40-3)25(18-9-5-4-6-10-18)29(37)34-12-8-7-11-22(34)28(36)33-21(27(30)35)15-20-16-31-17-32-20/h13-14,16-18,21-22,25H,4-12,15H2,1-3H3,(H2,30,35)(H,31,32)(H,33,36)/t21-,22+,25+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.69E+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