BindingDB logo
myBDB logout

BDBM16783 5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-1H-indazole::indazole-pyridine, 1

SMILES: N[C@H](COc1cncc(c1)-c1ccc2[nH]ncc2c1)Cc1c[nH]c2ccccc12

InChI Key: InChIKey=GQEPXNDANQTLHI-TWYLJJHKNA-N

Data: 3 IC50

PDB links: 4 PDB IDs contain this monomer as substructures. 4 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

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 3 hits for monomerid = 16783   
Target
(Institution)
LigandTarget
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
cAMP-Dependent Protein Kinase (PKA)


(Bos taurus (bovine))
BDBM16783
PNG
(5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridi...)
Show SMILES N[C@H](COc1cncc(c1)-c1ccc2[nH]ncc2c1)Cc1c[nH]c2ccccc12 |r|
Show InChI InChI=1/C23H21N5O/c24-19(8-17-11-26-23-4-2-1-3-21(17)23)14-29-20-9-16(10-25-13-20)15-5-6-22-18(7-15)12-27-28-22/h1-7,9-13,19,26H,8,14,24H2,(H,27,28)/t19-/s2
PDB
MMDB

SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
UniChem

Similars

AffyNet 
MMDB
Article
PubMed
n/an/a 18n/an/an/an/a7.522



Abbott Laboratories



Assay Description
The kinase assay uses purified recombinant enzyme and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidi...


Citation and Details
More data for this
Ligand-Target Pair
AKT


(Homo sapiens (human))
BDBM16783
PNG
(5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridi...)
Show SMILES N[C@H](COc1cncc(c1)-c1ccc2[nH]ncc2c1)Cc1c[nH]c2ccccc12 |r|
Show InChI InChI=1/C23H21N5O/c24-19(8-17-11-26-23-4-2-1-3-21(17)23)14-29-20-9-16(10-25-13-20)15-5-6-22-18(7-15)12-27-28-22/h1-7,9-13,19,26H,8,14,24H2,(H,27,28)/t19-/s2
PDB
MMDB

NCI pathway
Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
UniChem

Similars

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



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of Akt


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase B (Akt 1)


(Homo sapiens (human))
BDBM16783
PNG
(5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridi...)
Show SMILES N[C@H](COc1cncc(c1)-c1ccc2[nH]ncc2c1)Cc1c[nH]c2ccccc12 |r|
Show InChI InChI=1/C23H21N5O/c24-19(8-17-11-26-23-4-2-1-3-21(17)23)14-29-20-9-16(10-25-13-20)15-5-6-22-18(7-15)12-27-28-22/h1-7,9-13,19,26H,8,14,24H2,(H,27,28)/t19-/s2
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 1.5n/an/an/an/a7.522



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...


Citation and Details
More data for this
Ligand-Target Pair