Affinity Data by PDB ID

PDB code 2VCX

Identical Ligands in BindingDB

Found 7 hits Enzyme Inhibition Constant Data
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Hematopoietic prostaglandin D synthase (199/199 = 100%)^† (Homo sapiens (Human))	BDBM21625 (2-phenyl-5-(1H-pyrazol-3-yl)-1,3-thiazole \| 2-phen...) Show SMILES c1cc(n[nH]1)-c1cnc(s1)-c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	7.2	22
AstraZeneca					Assay Description The PGDS glutathione-S-transferase (GST) activity was measured by using MonoChloroBimane (MCB) as a chromogenic substrate. The assay was run at 384-w...				J Med Chem 51: 2178-86 (2008) Article DOI: 10.1021/jm701509k BindingDB Entry DOI: 10.7270/Q2Z036FR
AstraZeneca					More data for this Ligand-Target Pair				3D Structure (crystal)
Hematopoietic prostaglandin D synthase (199/199 = 100%)^† (Homo sapiens (Human))	BDBM21625 (2-phenyl-5-(1H-pyrazol-3-yl)-1,3-thiazole \| 2-phen...) Show SMILES c1cc(n[nH]1)-c1cnc(s1)-c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition human HPGDS expressed in Escherichia coli assessed as reduction in GST enzymatic activity using MCBL and glutathione incubated for 30 mins...				Bioorg Med Chem Lett 25: 2496-500 (2015) Article DOI: 10.1016/j.bmcl.2015.04.065 BindingDB Entry DOI: 10.7270/Q2J9683M
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Hematopoietic prostaglandin D synthase (199/199 = 100%)^† (Homo sapiens (Human))	BDBM21625 (2-phenyl-5-(1H-pyrazol-3-yl)-1,3-thiazole \| 2-phen...) Show SMILES c1cc(n[nH]1)-c1cnc(s1)-c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immuno assay				J Med Chem 53: 5536-48 (2010) Article DOI: 10.1021/jm100194a BindingDB Entry DOI: 10.7270/Q21J99Z4
The University of Queensland Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	CHEMBL5277569 Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	1.60E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immuno assay at 50 uM				Citation and Details
TBA					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (199/199 = 100%)^† (Homo sapiens (Human))	BDBM21625 (2-phenyl-5-(1H-pyrazol-3-yl)-1,3-thiazole \| 2-phen...) Show SMILES c1cc(n[nH]1)-c1cnc(s1)-c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to human HPGDS expressed in Escherichia coli using 1-phenylpyrazole-4-carboxylic acid/6-(3-fluorophenyl)pyridine-3-carboxamide as re...				Bioorg Med Chem Lett 25: 2496-500 (2015) Article DOI: 10.1016/j.bmcl.2015.04.065 BindingDB Entry DOI: 10.7270/Q2J9683M
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Hematopoietic prostaglandin D synthase (199/199 = 100%)^† (Homo sapiens (Human))	BDBM21625 (2-phenyl-5-(1H-pyrazol-3-yl)-1,3-thiazole \| 2-phen...) Show SMILES c1cc(n[nH]1)-c1cnc(s1)-c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	n/a	110	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition HPGDS in human MEG01 cells assessed as reduction in PGD2 production incubated for 30 mins followed by stimulation with 5 uM ionomycin for ...				Bioorg Med Chem Lett 25: 2496-500 (2015) Article DOI: 10.1016/j.bmcl.2015.04.065 BindingDB Entry DOI: 10.7270/Q2J9683M
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Hematopoietic prostaglandin D synthase (199/199 = 100%)^† (Homo sapiens (Human))	BDBM21625 (2-phenyl-5-(1H-pyrazol-3-yl)-1,3-thiazole \| 2-phen...) Show SMILES c1cc(n[nH]1)-c1cnc(s1)-c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to human HPGDS expressed in Escherichia coli by isothermal titration calorimetry				Bioorg Med Chem Lett 25: 2496-500 (2015) Article DOI: 10.1016/j.bmcl.2015.04.065 BindingDB Entry DOI: 10.7270/Q2J9683M
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)

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_* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
† Identities from BLAST output