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BDBM50398366 CHEMBL2177367

SMILES: CO[C@H]1CC[C@@H](CC1)NC[C@@H](C(=O)N1CCN(CC1)c1ncnc2[C@H](O)C[C@@H](C)c12)c1ccc(Cl)cc1

InChI Key: InChIKey=IHLLUUVHYRQMCS-YHBXUWTPSA-N

Data: 4 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 4 hits for monomerid = 50398366   
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
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50398366
PNG
(CHEMBL2177367)
Show SMILES CO[C@H]1CC[C@@H](CC1)NC[C@@H](C(=O)N1CCN(CC1)c1ncnc2[C@H](O)C[C@@H](C)c12)c1ccc(Cl)cc1 |r,wU:27.29,10.10,5.8,wD:24.26,2.1,(22.8,-34.77,;21.46,-35.53,;21.46,-37.07,;20.12,-37.83,;20.11,-39.37,;21.44,-40.13,;22.77,-39.38,;22.78,-37.85,;21.44,-41.67,;20.11,-42.44,;20.11,-43.98,;21.44,-44.75,;22.78,-43.98,;21.44,-46.3,;20.11,-47.07,;20.11,-48.61,;21.44,-49.38,;22.78,-48.61,;22.78,-47.07,;21.44,-50.92,;22.78,-51.68,;22.77,-53.23,;21.43,-54,;20.09,-53.22,;18.64,-53.7,;18.17,-55.16,;17.74,-52.46,;18.63,-51.21,;18.15,-49.75,;20.09,-51.69,;18.77,-44.75,;18.77,-46.29,;17.45,-47.06,;16.1,-46.29,;14.77,-47.06,;16.1,-44.75,;17.44,-43.97,)|
Show InChI InChI=1S/C28H38ClN5O3/c1-18-15-24(35)26-25(18)27(32-17-31-26)33-11-13-34(14-12-33)28(36)23(19-3-5-20(29)6-4-19)16-30-21-7-9-22(37-2)10-8-21/h3-6,17-18,21-24,30,35H,7-16H2,1-2H3/t18-,21-,22-,23-,24-/m1/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of wild-type full-length amino-terminal polyhistidine-tagged human Akt1 expressed in recombinant baculovirus system using fluo...


J Med Chem 55: 8110-27 (2012)


Article DOI: 10.1021/jm301024w
BindingDB Entry DOI: 10.7270/Q20P1160
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT2


(Homo sapiens (Human))
BDBM50398366
PNG
(CHEMBL2177367)
Show SMILES CO[C@H]1CC[C@@H](CC1)NC[C@@H](C(=O)N1CCN(CC1)c1ncnc2[C@H](O)C[C@@H](C)c12)c1ccc(Cl)cc1 |r,wU:27.29,10.10,5.8,wD:24.26,2.1,(22.8,-34.77,;21.46,-35.53,;21.46,-37.07,;20.12,-37.83,;20.11,-39.37,;21.44,-40.13,;22.77,-39.38,;22.78,-37.85,;21.44,-41.67,;20.11,-42.44,;20.11,-43.98,;21.44,-44.75,;22.78,-43.98,;21.44,-46.3,;20.11,-47.07,;20.11,-48.61,;21.44,-49.38,;22.78,-48.61,;22.78,-47.07,;21.44,-50.92,;22.78,-51.68,;22.77,-53.23,;21.43,-54,;20.09,-53.22,;18.64,-53.7,;18.17,-55.16,;17.74,-52.46,;18.63,-51.21,;18.15,-49.75,;20.09,-51.69,;18.77,-44.75,;18.77,-46.29,;17.45,-47.06,;16.1,-46.29,;14.77,-47.06,;16.1,-44.75,;17.44,-43.97,)|
Show InChI InChI=1S/C28H38ClN5O3/c1-18-15-24(35)26-25(18)27(32-17-31-26)33-11-13-34(14-12-33)28(36)23(19-3-5-20(29)6-4-19)16-30-21-7-9-22(37-2)10-8-21/h3-6,17-18,21-24,30,35H,7-16H2,1-2H3/t18-,21-,22-,23-,24-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of wild-type full-length amino-terminal polyhistidine-tagged human Akt2 expressed in recombinant baculovirus system using fluo...


J Med Chem 55: 8110-27 (2012)


Article DOI: 10.1021/jm301024w
BindingDB Entry DOI: 10.7270/Q20P1160
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (Human))
BDBM50398366
PNG
(CHEMBL2177367)
Show SMILES CO[C@H]1CC[C@@H](CC1)NC[C@@H](C(=O)N1CCN(CC1)c1ncnc2[C@H](O)C[C@@H](C)c12)c1ccc(Cl)cc1 |r,wU:27.29,10.10,5.8,wD:24.26,2.1,(22.8,-34.77,;21.46,-35.53,;21.46,-37.07,;20.12,-37.83,;20.11,-39.37,;21.44,-40.13,;22.77,-39.38,;22.78,-37.85,;21.44,-41.67,;20.11,-42.44,;20.11,-43.98,;21.44,-44.75,;22.78,-43.98,;21.44,-46.3,;20.11,-47.07,;20.11,-48.61,;21.44,-49.38,;22.78,-48.61,;22.78,-47.07,;21.44,-50.92,;22.78,-51.68,;22.77,-53.23,;21.43,-54,;20.09,-53.22,;18.64,-53.7,;18.17,-55.16,;17.74,-52.46,;18.63,-51.21,;18.15,-49.75,;20.09,-51.69,;18.77,-44.75,;18.77,-46.29,;17.45,-47.06,;16.1,-46.29,;14.77,-47.06,;16.1,-44.75,;17.44,-43.97,)|
Show InChI InChI=1S/C28H38ClN5O3/c1-18-15-24(35)26-25(18)27(32-17-31-26)33-11-13-34(14-12-33)28(36)23(19-3-5-20(29)6-4-19)16-30-21-7-9-22(37-2)10-8-21/h3-6,17-18,21-24,30,35H,7-16H2,1-2H3/t18-,21-,22-,23-,24-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of wild-type full-length amino-terminal polyhistidine-tagged human Akt3 expressed in recombinant baculovirus system using fluo...


J Med Chem 55: 8110-27 (2012)


Article DOI: 10.1021/jm301024w
BindingDB Entry DOI: 10.7270/Q20P1160
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50398366
PNG
(CHEMBL2177367)
Show SMILES CO[C@H]1CC[C@@H](CC1)NC[C@@H](C(=O)N1CCN(CC1)c1ncnc2[C@H](O)C[C@@H](C)c12)c1ccc(Cl)cc1 |r,wU:27.29,10.10,5.8,wD:24.26,2.1,(22.8,-34.77,;21.46,-35.53,;21.46,-37.07,;20.12,-37.83,;20.11,-39.37,;21.44,-40.13,;22.77,-39.38,;22.78,-37.85,;21.44,-41.67,;20.11,-42.44,;20.11,-43.98,;21.44,-44.75,;22.78,-43.98,;21.44,-46.3,;20.11,-47.07,;20.11,-48.61,;21.44,-49.38,;22.78,-48.61,;22.78,-47.07,;21.44,-50.92,;22.78,-51.68,;22.77,-53.23,;21.43,-54,;20.09,-53.22,;18.64,-53.7,;18.17,-55.16,;17.74,-52.46,;18.63,-51.21,;18.15,-49.75,;20.09,-51.69,;18.77,-44.75,;18.77,-46.29,;17.45,-47.06,;16.1,-46.29,;14.77,-47.06,;16.1,-44.75,;17.44,-43.97,)|
Show InChI InChI=1S/C28H38ClN5O3/c1-18-15-24(35)26-25(18)27(32-17-31-26)33-11-13-34(14-12-33)28(36)23(19-3-5-20(29)6-4-19)16-30-21-7-9-22(37-2)10-8-21/h3-6,17-18,21-24,30,35H,7-16H2,1-2H3/t18-,21-,22-,23-,24-/m1/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 132n/an/an/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of wild-type full-length amino-terminal polyhistidine-tagged human Akt1 expressed in recombinant baculovirus system using fluo...


J Med Chem 55: 8110-27 (2012)


Article DOI: 10.1021/jm301024w
BindingDB Entry DOI: 10.7270/Q20P1160
More data for this
Ligand-Target Pair