BindingDB PrimarySearch

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.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 35346
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Glycogen Phosphorylase (PYGL) (Homo sapiens (Human))	BDBM35346 ((S)-5-chloro-N-(3-(4-fluorophenyl)-1-(4-hydroxypip...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	920	n/a	n/a	n/a	n/a	6.8	22
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
Astellas Pharma Inc.					More data for this Ligand-Target Pair
Glycogen Phosphorylase (PYGL) (Homo sapiens (Human))	BDBM35346 ((S)-5-chloro-N-(3-(4-fluorophenyl)-1-(4-hydroxypip...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	920	n/a	n/a	n/a	n/a	6.8	22
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
Astellas Pharma Inc.					More data for this Ligand-Target Pair
Sterol 14α-demethylase (CYP51) (Homo sapiens (Human))	BDBM35346 ((S)-5-chloro-N-(3-(4-fluorophenyl)-1-(4-hydroxypip...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/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
ACT LLC Curated by ChEMBL					More data for this Ligand-Target Pair
Glycogen Phosphorylase (PYGL) (Homo sapiens (Human))	BDBM35346 ((S)-5-chloro-N-(3-(4-fluorophenyl)-1-(4-hydroxypip...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/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
Novo Nordisk A/S Curated by ChEMBL					More data for this Ligand-Target Pair
Muscle glycogen phosphorylase (Homo sapiens (Human))	BDBM35346 ((S)-5-chloro-N-(3-(4-fluorophenyl)-1-(4-hydroxypip...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/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
Novo Nordisk A/S Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Glycogen Phosphorylase (PYGL) (Homo sapiens (Human))	BDBM35346 ((S)-5-chloro-N-(3-(4-fluorophenyl)-1-(4-hydroxypip...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	205	n/a	n/a	n/a	n/a	n/a	n/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
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair