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BDBM174719 US9102670, 18di

SMILES: C[C@H]1COCCN1c1nc(nc2nc(ccc12)-c1ccc(Cl)cc1)N1CCOCC1

InChI Key: InChIKey=ZZBDNGJIQGWWHP-GGYSOQFKNA-N

Data: 1 IC50

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 = 174719   
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 FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM174719
PNG
(US9102670, 18di)
Show SMILES C[C@H]1COCCN1c1nc(nc2nc(ccc12)-c1ccc(Cl)cc1)N1CCOCC1
Show InChI InChI=1/C22H24ClN5O2/c1-15-14-30-13-10-28(15)21-18-6-7-19(16-2-4-17(23)5-3-16)24-20(18)25-22(26-21)27-8-11-29-12-9-27/h2-7,15H,8-14H2,1H3/t15-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 150n/an/an/an/an/a25



KUDOS PHARMACEUTICALS LIMITED

US Patent


Assay Description
The assay used AlphaScreen technology (Gray et al., Analytical Biochemistry, 2003, 313: 234-245) to determine the ability of test compounds to inhibi...


US Patent US9102670 (2015)


BindingDB Entry DOI: 10.7270/Q26M35MZ
More data for this
Ligand-Target Pair