Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin D2 receptor 2' and Ligand = 'BDBM50397646'   

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 D2 receptor 2 (Homo sapiens (Human))	BDBM50397646 (CHEMBL2181804 | US8536158, A) Show SMILES Cc1c(Cc2ccc(cc2)S(C)(=O)=O)c2cc(F)ccc2n1CC(O)=O Show InChI InChI=1S/C19H18FNO4S/c1-12-16(9-13-3-6-15(7-4-13)26(2,24)25)17-10-14(20)5-8-18(17)21(12)11-19(22)23/h3-8,10H,9,11H2,1-2H3,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Atopix Therapeutics Limited US Patent					Assay Description Radioligand binding assay using CRTH2.				US Patent US8536158 (2013) BindingDB Entry DOI: 10.7270/Q2MK6BH6
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50397646 (CHEMBL2181804 | US8536158, A) Show SMILES Cc1c(Cc2ccc(cc2)S(C)(=O)=O)c2cc(F)ccc2n1CC(O)=O Show InChI InChI=1S/C19H18FNO4S/c1-12-16(9-13-3-6-15(7-4-13)26(2,24)25)17-10-14(20)5-8-18(17)21(12)11-19(22)23/h3-8,10H,9,11H2,1-2H3,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Oxagen Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from CRTH2 expressed in CHO cells after 1 hr by beta counting analysis				J Med Chem 55: 2915-31 (2012) Article DOI: 10.1021/jm2013997 BindingDB Entry DOI: 10.7270/Q2Z0398R
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50397646 (CHEMBL2181804 | US8536158, A) Show SMILES Cc1c(Cc2ccc(cc2)S(C)(=O)=O)c2cc(F)ccc2n1CC(O)=O Show InChI InChI=1S/C19H18FNO4S/c1-12-16(9-13-3-6-15(7-4-13)26(2,24)25)17-10-14(20)5-8-18(17)21(12)11-19(22)23/h3-8,10H,9,11H2,1-2H3,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Oxagen Ltd. Curated by ChEMBL					Assay Description Inhibition of CRTH2 in human whole blood				J Med Chem 55: 2915-31 (2012) Article DOI: 10.1021/jm2013997 BindingDB Entry DOI: 10.7270/Q2Z0398R
					More data for this Ligand-Target Pair