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BDBM23379 17-(benzenesulfonyl)-4,6-dimethoxy-11,17-diazatetracyclo[11.3.1.0^{2,11}.0^{3,8}]heptadeca-3(8),4,6-trien-12-one::Tetracyclic aza-amide, 12h

SMILES: COc1cc2CCN3C(C4CCCC(N4S(=O)(=O)c4ccccc4)C3=O)c2c(OC)c1

InChI Key: InChIKey=GTKIJKRXGXRCQI-UHFFFAOYSA-N

Data: 1 KI

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   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 23379   
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
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23379
PNG
(17-(benzenesulfonyl)-4,6-dimethoxy-11,17-diazatetr...)
Show SMILES COc1cc2CCN3C(C4CCCC(N4S(=O)(=O)c4ccccc4)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.24|
Show InChI InChI=1S/C23H26N2O5S/c1-29-16-13-15-11-12-24-22(21(15)20(14-16)30-2)18-9-6-10-19(23(24)26)25(18)31(27,28)17-7-4-3-5-8-17/h3-5,7-8,13-14,18-19,22H,6,9-12H2,1-2H3
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
244n/an/an/an/an/an/an/an/a



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