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BDBM145869 US8957064, 7.0

SMILES: C(N1CCC(CC1)c1nc2cccnc2[nH]1)c1ccc(cc1)-c1nc2nccn2cc1-c1ccccc1

InChI Key: InChIKey=JCDVPPQJBRAPJR-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 145869   
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
Serine/threonine-protein kinase AKT2


(Homo sapiens (Human))
BDBM145869
PNG
(US8957064, 7.0)
Show SMILES C(N1CCC(CC1)c1nc2cccnc2[nH]1)c1ccc(cc1)-c1nc2nccn2cc1-c1ccccc1
Show InChI InChI=1S/C30H27N7/c1-2-5-22(6-3-1)25-20-37-18-15-32-30(37)34-27(25)23-10-8-21(9-11-23)19-36-16-12-24(13-17-36)28-33-26-7-4-14-31-29(26)35-28/h1-11,14-15,18,20,24H,12-13,16-17,19H2,(H,31,33,35)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 607n/an/an/an/a7.5n/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Akt2 inhibitory activity of compounds of the present invention was quantified employing the Akt2 TR-FRET assay as described in the following paragrap...


US Patent US8957064 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MRP
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM145869
PNG
(US8957064, 7.0)
Show SMILES C(N1CCC(CC1)c1nc2cccnc2[nH]1)c1ccc(cc1)-c1nc2nccn2cc1-c1ccccc1
Show InChI InChI=1S/C30H27N7/c1-2-5-22(6-3-1)25-20-37-18-15-32-30(37)34-27(25)23-10-8-21(9-11-23)19-36-16-12-24(13-17-36)28-33-26-7-4-14-31-29(26)35-28/h1-11,14-15,18,20,24H,12-13,16-17,19H2,(H,31,33,35)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 56n/an/an/an/a7.5n/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Akt1 inhibitory activity of compounds of the present invention may be quantified0 employing the Akt1 TR-FRET assay as described in the following para...


US Patent US8957064 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MRP
More data for this
Ligand-Target Pair