BDBM50300127 CHEMBL567059::NSC-4502::phenyl(thiophen-2-yl)methanone

SMILES: O=C(c1cccs1)c1ccccc1

InChI Key: InChIKey=DWYFUJJWTRPARQ-UHFFFAOYSA-N

Data: 3 IC50

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 = 50300127   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Prostaglandin D Synthase (Homo sapiens (Human))	BDBM50300127 (CHEMBL567059 | NSC-4502 | phenyl(thiophen-2-yl)met...) Show SMILES O=C(c1cccs1)c1ccccc1 Show InChI InChI=1S/C11H8OS/c12-11(10-7-4-8-13-10)9-5-2-1-3-6-9/h1-8H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	9.20E+3	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 assessed as rate of glutathione-chloro-dinitro benzene conjugation				Eur J Med Chem 45: 447-54 (2010) Article DOI: 10.1016/j.ejmech.2009.10.025 BindingDB Entry DOI: 10.7270/Q2HD7VQT
					More data for this Ligand-Target Pair
Prostaglandin D Synthase (Homo sapiens (Human))	BDBM50300127 (CHEMBL567059 | NSC-4502 | phenyl(thiophen-2-yl)met...) Show SMILES O=C(c1cccs1)c1ccccc1 Show InChI InChI=1S/C11H8OS/c12-11(10-7-4-8-13-10)9-5-2-1-3-6-9/h1-8H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	8.35E+4	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 at 50 uM				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
Prostaglandin D Synthase (Homo sapiens (Human))	BDBM50300127 (CHEMBL567059 | NSC-4502 | phenyl(thiophen-2-yl)met...) Show SMILES O=C(c1cccs1)c1ccccc1 Show InChI InChI=1S/C11H8OS/c12-11(10-7-4-8-13-10)9-5-2-1-3-6-9/h1-8H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.28E+4	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