BDBM50444238 CHEMBL3093598

SMILES: CN(C)c1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)c1ncc(CC(O)=O)c2ccccc12

InChI Key: InChIKey=KOUCLTRRCYOAMK-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50444238   

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 D2 receptor 2 (Homo sapiens (Human))	BDBM50444238 (CHEMBL3093598) Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)c1ncc(CC(O)=O)c2ccccc12 Show InChI InChI=1S/C27H23N3O4/c1-30(2)21-13-9-18(10-14-21)27(34)29-20-11-7-17(8-12-20)26(33)25-23-6-4-3-5-22(23)19(16-28-25)15-24(31)32/h3-14,16H,15H2,1-2H3,(H,29,34)(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.20	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTH2 transfected in CHO cells by liquid scintillation counting analysis				Bioorg Med Chem 21: 7674-85 (2013) Article DOI: 10.1016/j.bmc.2013.10.025 BindingDB Entry DOI: 10.7270/Q2542Q2W
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50444238 (CHEMBL3093598) Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)c1ncc(CC(O)=O)c2ccccc12 Show InChI InChI=1S/C27H23N3O4/c1-30(2)21-13-9-18(10-14-21)27(34)29-20-11-7-17(8-12-20)26(33)25-23-6-4-3-5-22(23)19(16-28-25)15-24(31)32/h3-14,16H,15H2,1-2H3,(H,29,34)(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at human CRTH2 transfected in human KB8 cells assessed as inhibition of PGD2-induced increase in intracellular Ca2+ by fluo-4AM d...				Bioorg Med Chem 21: 7674-85 (2013) Article DOI: 10.1016/j.bmc.2013.10.025 BindingDB Entry DOI: 10.7270/Q2542Q2W
					More data for this Ligand-Target Pair