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BDBM174634 US9102670, 18x

SMILES: COc1ccc(cc1CO)-c1ccc2c(nc(nc2n1)N1CCC(CO)CC1)N1CCOC[C@@H]1C

InChI Key: InChIKey=OFNZOPZXQNWEMU-AGDOHHJYNA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 174634   
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))
BDBM174634
PNG
(US9102670, 18x)
Show SMILES COc1ccc(cc1CO)-c1ccc2c(nc(nc2n1)N1CCC(CO)CC1)N1CCOC[C@@H]1C
Show InChI InChI=1/C26H33N5O4/c1-17-16-35-12-11-31(17)25-21-4-5-22(19-3-6-23(34-2)20(13-19)15-33)27-24(21)28-26(29-25)30-9-7-18(14-32)8-10-30/h3-6,13,17-18,32-33H,7-12,14-16H2,1-2H3/t17-/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 14n/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