Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with all data for entry = 50002853   

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
Prostaglandin D Synthase (Homo sapiens (Human))	BDBM50463722 (CHEMBL4238186) Show SMILES O=C(Nc1ccc(cc1)N1CCC(CC1)C(=O)N1CCOCC1)c1cnc(Oc2ccccc2)nc1 Show InChI InChI=1S/C27H29N5O4/c33-25(21-18-28-27(29-19-21)36-24-4-2-1-3-5-24)30-22-6-8-23(9-7-22)31-12-10-20(11-13-31)26(34)32-14-16-35-17-15-32/h1-9,18-20H,10-17H2,(H,30,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	0.370	n/a	n/a	n/a	n/a	n/a
RIKEN Center for Biosystems Dynamics Research Curated by ChEMBL					Assay Description Binding affinity to full length recombinant human N-terminal His6-tagged H-PGDS expressed in Escherichia coli BL21(DE3) by SPR analysis				Bioorg Med Chem 26: 4726-4734 (2018) BindingDB Entry DOI: 10.7270/Q2VH5RJQ
					More data for this Ligand-Target Pair
Prostaglandin D Synthase (Homo sapiens (Human))	BDBM50463721 (CHEMBL4238290) Show SMILES O=C(Nc1ccc(cc1)N1CCCC1=O)c1cnc(nc1)-c1ccccn1 Show InChI InChI=1S/C20H17N5O2/c26-18-5-3-11-25(18)16-8-6-15(7-9-16)24-20(27)14-12-22-19(23-13-14)17-4-1-2-10-21-17/h1-2,4,6-10,12-13H,3,5,11H2,(H,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	PC cid PC sid PDB UniChem	PDB PubMed	n/a	n/a	n/a	0.140	n/a	n/a	n/a	n/a	n/a
RIKEN Center for Biosystems Dynamics Research Curated by ChEMBL					Assay Description Binding affinity to full length recombinant human N-terminal His6-tagged H-PGDS expressed in Escherichia coli BL21(DE3) by SPR analysis				Bioorg Med Chem 26: 4726-4734 (2018) BindingDB Entry DOI: 10.7270/Q2VH5RJQ
					More data for this Ligand-Target Pair				3D Structure (crystal)