Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin D2 receptor 2' and Ligand = 'BDBM50458667'   

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))	BDBM50458667 (CHEMBL4207935) Show SMILES [H][C@@]12CCC[C@]1([H])N(C(=O)c1ccc(OC(F)(F)F)cc1)c1cc(F)ccc1[C@@H]2N(C1CC1)C(=O)CCC(O)=O |r| Show InChI InChI=1S/C27H26F4N2O5/c28-16-6-11-20-22(14-16)33(26(37)15-4-9-18(10-5-15)38-27(29,30)31)21-3-1-2-19(21)25(20)32(17-7-8-17)23(34)12-13-24(35)36/h4-6,9-11,14,17,19,21,25H,1-3,7-8,12-13H2,(H,35,36)/t19-,21+,25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTh2 expressed in HEK cell membranes after 60 mins by scintillation counting method				ACS Med Chem Lett 9: 679-684 (2018) Article DOI: 10.1021/acsmedchemlett.8b00145 BindingDB Entry DOI: 10.7270/Q2F47RRN
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50458667 (CHEMBL4207935) Show SMILES [H][C@@]12CCC[C@]1([H])N(C(=O)c1ccc(OC(F)(F)F)cc1)c1cc(F)ccc1[C@@H]2N(C1CC1)C(=O)CCC(O)=O |r| Show InChI InChI=1S/C27H26F4N2O5/c28-16-6-11-20-22(14-16)33(26(37)15-4-9-18(10-5-15)38-27(29,30)31)21-3-1-2-19(21)25(20)32(17-7-8-17)23(34)12-13-24(35)36/h4-6,9-11,14,17,19,21,25H,1-3,7-8,12-13H2,(H,35,36)/t19-,21+,25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Antagonist activity at human CRTh2 expressed in CHOK1 cells assessed as inhibition of PGD2-induced beta-arrestin recruitment incubated for 30 mins fo...				ACS Med Chem Lett 9: 679-684 (2018) Article DOI: 10.1021/acsmedchemlett.8b00145 BindingDB Entry DOI: 10.7270/Q2F47RRN
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50458667 (CHEMBL4207935) Show SMILES [H][C@@]12CCC[C@]1([H])N(C(=O)c1ccc(OC(F)(F)F)cc1)c1cc(F)ccc1[C@@H]2N(C1CC1)C(=O)CCC(O)=O |r| Show InChI InChI=1S/C27H26F4N2O5/c28-16-6-11-20-22(14-16)33(26(37)15-4-9-18(10-5-15)38-27(29,30)31)21-3-1-2-19(21)25(20)32(17-7-8-17)23(34)12-13-24(35)36/h4-6,9-11,14,17,19,21,25H,1-3,7-8,12-13H2,(H,35,36)/t19-,21+,25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Antagonist activity at human CRTh2 expressed in HEK cells assessed as inhibition of DK-PGD2-mediated attenuation of forskolin-induced intracellular c...				ACS Med Chem Lett 9: 679-684 (2018) Article DOI: 10.1021/acsmedchemlett.8b00145 BindingDB Entry DOI: 10.7270/Q2F47RRN
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50458667 (CHEMBL4207935) Show SMILES [H][C@@]12CCC[C@]1([H])N(C(=O)c1ccc(OC(F)(F)F)cc1)c1cc(F)ccc1[C@@H]2N(C1CC1)C(=O)CCC(O)=O |r| Show InChI InChI=1S/C27H26F4N2O5/c28-16-6-11-20-22(14-16)33(26(37)15-4-9-18(10-5-15)38-27(29,30)31)21-3-1-2-19(21)25(20)32(17-7-8-17)23(34)12-13-24(35)36/h4-6,9-11,14,17,19,21,25H,1-3,7-8,12-13H2,(H,35,36)/t19-,21+,25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Antagonist activity at CRTh2 in human whole blood assessed as inhibition of DK-PGD2-induced eosinophils shape change preincubated for 10 mins followe...				ACS Med Chem Lett 9: 679-684 (2018) Article DOI: 10.1021/acsmedchemlett.8b00145 BindingDB Entry DOI: 10.7270/Q2F47RRN
					More data for this Ligand-Target Pair