BindingDB logo
myBDB logout

BDBM35346 (S)-5-chloro-N-(3-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl)-1H-indole-2-carboxamide::5-CHLORO-1H-INDOLE-2-CARBOXYLIC ACID [1-(4-FLUOROBENZYL)-2-(4-HYDROXYPIPERIDIN-1YL)-2-OXOETHYL]AMIDE::5-Chloro-1H-indole-2-carboxylic acid [(S)-1-(4-fluoro-benzyl)-2-(4-hydroxy-piperidin-1-yl)-2-oxo-ethyl]-amide::CHEMBL99889::CP-320626

SMILES: OC1CCN(CC1)C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1

InChI Key: InChIKey=YDCGVASFVACWKF-NRFANRHFSA-N

Data: 6 IC50

PDB links: 3 PDB IDs match 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 6 hits for monomerid = 35346   
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
Glycogen Phosphorylase (PYGL)


(Homo sapiens (Human))
BDBM35346
PNG
((S)-5-chloro-N-(3-(4-fluorophenyl)-1-(4-hydroxypip...)
Show SMILES OC1CCN(CC1)C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C23H23ClFN3O3/c24-16-3-6-19-15(12-16)13-20(26-19)22(30)27-21(11-14-1-4-17(25)5-2-14)23(31)28-9-7-18(29)8-10-28/h1-6,12-13,18,21,26,29H,7-11H2,(H,27,30)/t21-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 920n/an/an/an/a6.822



Astellas Pharma Inc.



Assay Description
The activity of recombinant human liver GPa in the forward direction was measured by monitoring the production of NADPH. Enzyme activity was assayed...


Bioorg Med Chem 16: 10001-12 (2008)


Article DOI: 10.1016/j.bmc.2008.10.021
BindingDB Entry DOI: 10.7270/Q2K072MF
More data for this
Ligand-Target Pair
Glycogen Phosphorylase (PYGL)


(Homo sapiens (Human))
BDBM35346
PNG
((S)-5-chloro-N-(3-(4-fluorophenyl)-1-(4-hydroxypip...)
Show SMILES OC1CCN(CC1)C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C23H23ClFN3O3/c24-16-3-6-19-15(12-16)13-20(26-19)22(30)27-21(11-14-1-4-17(25)5-2-14)23(31)28-9-7-18(29)8-10-28/h1-6,12-13,18,21,26,29H,7-11H2,(H,27,30)/t21-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 920n/an/an/an/a6.822



Astellas Pharma Inc.



Assay Description
The activity of recombinant human liver GPa in the forward direction was measured by monitoring the production of NADPH. Enzyme activity was assayed...


Bioorg Med Chem 16: 5452-64 (2008)


Article DOI: 10.1016/j.bmc.2008.04.010
BindingDB Entry DOI: 10.7270/Q2J101H2
More data for this
Ligand-Target Pair
Sterol 14α-demethylase (CYP51)


(Homo sapiens (Human))
BDBM35346
PNG
((S)-5-chloro-N-(3-(4-fluorophenyl)-1-(4-hydroxypip...)
Show SMILES OC1CCN(CC1)C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C23H23ClFN3O3/c24-16-3-6-19-15(12-16)13-20(26-19)22(30)27-21(11-14-1-4-17(25)5-2-14)23(31)28-9-7-18(29)8-10-28/h1-6,12-13,18,21,26,29H,7-11H2,(H,27,30)/t21-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.00E+3n/an/an/an/an/an/a



ACT LLC

Curated by ChEMBL


Assay Description
Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assay


Drug Metab Dispos 35: 493-500 (2007)


Article DOI: 10.1124/dmd.106.013888
BindingDB Entry DOI: 10.7270/Q2DF6S2H
More data for this
Ligand-Target Pair
Glycogen Phosphorylase (PYGL)


(Homo sapiens (Human))
BDBM35346
PNG
((S)-5-chloro-N-(3-(4-fluorophenyl)-1-(4-hydroxypip...)
Show SMILES OC1CCN(CC1)C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C23H23ClFN3O3/c24-16-3-6-19-15(12-16)13-20(26-19)22(30)27-21(11-14-1-4-17(25)5-2-14)23(31)28-9-7-18(29)8-10-28/h1-6,12-13,18,21,26,29H,7-11H2,(H,27,30)/t21-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.40E+3n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro inhibition of pig liver Glycogen phosphorylase A.


J Med Chem 47: 3537-45 (2004)


Article DOI: 10.1021/jm031121n
BindingDB Entry DOI: 10.7270/Q2HM5977
More data for this
Ligand-Target Pair
Muscle glycogen phosphorylase


(Homo sapiens (Human))
BDBM35346
PNG
((S)-5-chloro-N-(3-(4-fluorophenyl)-1-(4-hydroxypip...)
Show SMILES OC1CCN(CC1)C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C23H23ClFN3O3/c24-16-3-6-19-15(12-16)13-20(26-19)22(30)27-21(11-14-1-4-17(25)5-2-14)23(31)28-9-7-18(29)8-10-28/h1-6,12-13,18,21,26,29H,7-11H2,(H,27,30)/t21-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

DrugBank
PDB
Article
PubMed
n/an/a 500n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibition of Rabbit muscle glycogen phosphorylase B.


J Med Chem 47: 3537-45 (2004)


Article DOI: 10.1021/jm031121n
BindingDB Entry DOI: 10.7270/Q2HM5977
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glycogen Phosphorylase (PYGL)


(Homo sapiens (Human))
BDBM35346
PNG
((S)-5-chloro-N-(3-(4-fluorophenyl)-1-(4-hydroxypip...)
Show SMILES OC1CCN(CC1)C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C23H23ClFN3O3/c24-16-3-6-19-15(12-16)13-20(26-19)22(30)27-21(11-14-1-4-17(25)5-2-14)23(31)28-9-7-18(29)8-10-28/h1-6,12-13,18,21,26,29H,7-11H2,(H,27,30)/t21-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 205n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against recombinant human liver glycogen phosphorylase a (rHLGPa) catalyzed release of phosphate from glucose-1-phosphat...


J Med Chem 41: 2934-8 (1998)


Article DOI: 10.1021/jm980264k
BindingDB Entry DOI: 10.7270/Q2NS0T1T
More data for this
Ligand-Target Pair