BDBM50125328 CHEMBL3623616

SMILES: COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@H](CC=C)C2CCCCC2)c2cccc(OCC(O)=O)c2)cc1OC

InChI Key: InChIKey=QCEQPSMCNSJSSB-MJSOWUPRSA-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 = 50125328   

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 FKBP1A (Homo sapiens (Human))	BDBM50125328 (CHEMBL3623616) Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@H](CC=C)C2CCCCC2)c2cccc(OCC(O)=O)c2)cc1OC |r| Show InChI InChI=1S/C36H47NO8/c1-4-11-29(26-12-6-5-7-13-26)35(40)37-21-9-8-16-30(37)36(41)45-31(27-14-10-15-28(23-27)44-24-34(38)39)19-17-25-18-20-32(42-2)33(22-25)43-3/h4,10,14-15,18,20,22-23,26,29-31H,1,5-9,11-13,16-17,19,21,24H2,2-3H3,(H,38,39)/t29-,30+,31-/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	1.00E+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 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
Peptidyl-prolyl cis-trans isomerase FKBP5 (Homo sapiens (Human))	BDBM50125328 (CHEMBL3623616) Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@H](CC=C)C2CCCCC2)c2cccc(OCC(O)=O)c2)cc1OC |r| Show InChI InChI=1S/C36H47NO8/c1-4-11-29(26-12-6-5-7-13-26)35(40)37-21-9-8-16-30(37)36(41)45-31(27-14-10-15-28(23-27)44-24-34(38)39)19-17-25-18-20-32(42-2)33(22-25)43-3/h4,10,14-15,18,20,22-23,26,29-31H,1,5-9,11-13,16-17,19,21,24H2,2-3H3,(H,38,39)/t29-,30+,31-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.40E+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 (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))	BDBM50125328 (CHEMBL3623616) Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@H](CC=C)C2CCCCC2)c2cccc(OCC(O)=O)c2)cc1OC |r| Show InChI InChI=1S/C36H47NO8/c1-4-11-29(26-12-6-5-7-13-26)35(40)37-21-9-8-16-30(37)36(41)45-31(27-14-10-15-28(23-27)44-24-34(38)39)19-17-25-18-20-32(42-2)33(22-25)43-3/h4,10,14-15,18,20,22-23,26,29-31H,1,5-9,11-13,16-17,19,21,24H2,2-3H3,(H,38,39)/t29-,30+,31-/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	>5.00E+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