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BDBM23339 1-{6-methoxy-12-oxo-11,17-diazatetracyclo[11.3.1.0^{2,11}.0^{3,8}]heptadeca-3(8),4,6-trien-17-yl}-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione::Tetracyclic aza-amide, 5e

SMILES: COc1ccc2C3C4CCCC(N4C(=O)C(=O)c4cc(OC)c(OC)c(OC)c4)C(=O)N3CCc2c1

InChI Key: InChIKey=KSUDXUGCKPEOSE-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 23339   
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))
BDBM23339
PNG
(1-{6-methoxy-12-oxo-11,17-diazatetracyclo[11.3.1.0...)
Show SMILES COc1ccc2C3C4CCCC(N4C(=O)C(=O)c4cc(OC)c(OC)c(OC)c4)C(=O)N3CCc2c1 |TLB:13:12:8.9.10:31.6.29|
Show InChI InChI=1S/C27H30N2O7/c1-33-17-8-9-18-15(12-17)10-11-28-23(18)19-6-5-7-20(26(28)31)29(19)27(32)24(30)16-13-21(34-2)25(36-4)22(14-16)35-3/h8-9,12-14,19-20,23H,5-7,10-11H2,1-4H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
143 -9.02n/an/an/an/an/a8.015



Pfizer



Assay Description
PPIase(Rotamase) activity of FKBP12 was assayed using the peptide N-succinyl Ala-Leu-Pro-Phe p-nitroanilide as substrate. It is based on the observat...


J Med Chem 49: 1202-6 (2006)


Article DOI: 10.1021/jm049161u
BindingDB Entry DOI: 10.7270/Q2BR8QG9
More data for this
Ligand-Target Pair