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BDBM23340 1-{7-chloro-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, 5f

SMILES: COc1cc(cc(OC)c1OC)C(=O)C(=O)N1C2CCCC1C(=O)N1CCc3c(Cl)cccc3C21

InChI Key: InChIKey=XEKMPCJIWGFDKK-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 23340   
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))
BDBM23340
PNG
(1-{7-chloro-12-oxo-11,17-diazatetracyclo[11.3.1.0^...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)C(=O)N1C2CCCC1C(=O)N1CCc3c(Cl)cccc3C21 |TLB:14:16:18.19.20:24.34.22|
Show InChI InChI=1S/C26H27ClN2O6/c1-33-20-12-14(13-21(34-2)24(20)35-3)23(30)26(32)29-18-8-5-9-19(29)25(31)28-11-10-15-16(22(18)28)6-4-7-17(15)27/h4,6-7,12-13,18-19,22H,5,8-11H2,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
152 -8.98n/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