Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 227.2 BDBM21625Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 8 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Hematopoietic prostaglandin D synthase (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 InChI=1S/C12H9N3S/c1-2-4-9(5-3-1)12-13-8-11(16-12)10-6-7-14-15-10/h1-8H,(H,14,15)	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
					More data for this Ligand-Target Pair				3D Structure (crystal)
Hematopoietic prostaglandin D synthase (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 InChI=1S/C12H9N3S/c1-2-4-9(5-3-1)12-13-8-11(16-12)10-6-7-14-15-10/h1-8H,(H,14,15)	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
					More data for this Ligand-Target Pair				3D Structure (crystal)
Hematopoietic prostaglandin D synthase (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 InChI=1S/C12H9N3S/c1-2-4-9(5-3-1)12-13-8-11(16-12)10-6-7-14-15-10/h1-8H,(H,14,15)	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
					More data for this Ligand-Target Pair				3D Structure (crystal)
Lanosterol synthase (Rattus norvegicus)	BDBM21625 (2-phenyl-5-(1H-pyrazol-3-yl)-1,3-thiazole | 2-phen...) Show SMILES c1cc(n[nH]1)-c1cnc(s1)-c1ccccc1 Show InChI InChI=1S/C12H9N3S/c1-2-4-9(5-3-1)12-13-8-11(16-12)10-6-7-14-15-10/h1-8H,(H,14,15)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	>6.25E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant wild-type human COMT expressed in Escherichia coli BL21 using 4-nitrocatechol-Alexa488 as substrate in presence of cofactor...				Citation and Details BindingDB Entry DOI: 10.7270/Q2PK0KS1
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (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 InChI=1S/C12H9N3S/c1-2-4-9(5-3-1)12-13-8-11(16-12)10-6-7-14-15-10/h1-8H,(H,14,15)	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
					More data for this Ligand-Target Pair				3D Structure (crystal)
Hematopoietic prostaglandin D synthase (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 InChI=1S/C12H9N3S/c1-2-4-9(5-3-1)12-13-8-11(16-12)10-6-7-14-15-10/h1-8H,(H,14,15)	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
					More data for this Ligand-Target Pair				3D Structure (crystal)
Transcription factor p65 (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 InChI=1S/C12H9N3S/c1-2-4-9(5-3-1)12-13-8-11(16-12)10-6-7-14-15-10/h1-8H,(H,14,15)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PCBioAssay	n/a	n/a	n/a	n/a	2.32E+3	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q27P8WT7
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (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 InChI=1S/C12H9N3S/c1-2-4-9(5-3-1)12-13-8-11(16-12)10-6-7-14-15-10/h1-8H,(H,14,15)	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
					More data for this Ligand-Target Pair				3D Structure (crystal)