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BDBM16944 (3Z)-5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-3-(1H-pyrrol-2-ylmethylidene)-2,3-dihydro-1H-indol-2-one::Z/E>98:1::oxindole pyridine, 11f

SMILES: N[C@H](COc1cncc(c1)-c1ccc2NC(=O)\C(=C/c3ccc[nH]3)c2c1)Cc1c[nH]c2ccccc12

InChI Key: InChIKey=DQMKXCKXZQEVJU-VHLXNKDGSA-N

Data: 1 KI  1 IC50

PDB links: 1 PDB ID matches this monomer.

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 16944   
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 Chk1


(Homo sapiens)
BDBM16944
PNG
((3Z)-5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]p...)
Show SMILES N[C@H](COc1cncc(c1)-c1ccc2NC(=O)\C(=C/c3ccc[nH]3)c2c1)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C29H25N5O2/c30-21(10-20-15-33-27-6-2-1-5-24(20)27)17-36-23-11-19(14-31-16-23)18-7-8-28-25(12-18)26(29(35)34-28)13-22-4-3-9-32-22/h1-9,11-16,21,32-33H,10,17,30H2,(H,34,35)/b26-13-/t21-/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
126n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Chk1


J Med Chem 52: 3159-65 (2009)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein kinase B (Akt 1)


(Homo sapiens (human))
BDBM16944
PNG
((3Z)-5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]p...)
Show SMILES N[C@H](COc1cncc(c1)-c1ccc2NC(=O)\C(=C/c3ccc[nH]3)c2c1)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C29H25N5O2/c30-21(10-20-15-33-27-6-2-1-5-24(20)27)17-36-23-11-19(14-31-16-23)18-7-8-28-25(12-18)26(29(35)34-28)13-22-4-3-9-32-22/h1-9,11-16,21,32-33H,10,17,30H2,(H,34,35)/b26-13-/t21-/m0/s1
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 1.5n/an/an/an/an/an/a



Abbott Laboratories



Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Bioorg Med Chem Lett 16: 3424-9 (2006)

More data for this
Ligand-Target Pair