BindingDB logo
myBDB logout

BDBM50403332 CHEMBL323633

SMILES: CC1(C)COC(=O)CCCCCCCCC(=O)c2cccc(c2)C(CCc2ccccc2)OC(=O)[C@@H]2CCCCN2C(=O)C1=O

InChI Key: InChIKey=QCQUVPUSKPOZDG-TZYYSAMKSA-N

Data: 1 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 1 hit for monomerid = 50403332   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Peptidyl-prolyl cis-trans isomerase FKBP1A


(Homo sapiens (Human))
BDBM50403332
PNG
(CHEMBL323633)
Show SMILES CC1(C)COC(=O)CCCCCCCCC(=O)c2cccc(c2)C(CCc2ccccc2)OC(=O)[C@@H]2CCCCN2C(=O)C1=O
Show InChI InChI=1S/C37H47NO7/c1-37(2)26-44-33(40)21-11-6-4-3-5-10-20-31(39)28-17-14-18-29(25-28)32(23-22-27-15-8-7-9-16-27)45-36(43)30-19-12-13-24-38(30)35(42)34(37)41/h7-9,14-18,25,30,32H,3-6,10-13,19-24,26H2,1-2H3/t30-,32?/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against FK506 binding protein 12 (FKBP12)


Bioorg Med Chem Lett 4: 325-328 (1994)


Article DOI: 10.1016/S0960-894X(01)80137-2
BindingDB Entry DOI: 10.7270/Q21Z45M7
More data for this
Ligand-Target Pair