BDBM50444224 CHEMBL3093606

SMILES: OC(=O)Cc1cnc(C(=O)c2ccc(NC(=O)c3cccc4ccccc34)cc2)c2ccccc12

InChI Key: InChIKey=VFRWDFKXJUFVQT-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 = 50444224   

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))	BDBM50444224 (CHEMBL3093606) Show SMILES OC(=O)Cc1cnc(C(=O)c2ccc(NC(=O)c3cccc4ccccc34)cc2)c2ccccc12 Show InChI InChI=1S/C29H20N2O4/c32-26(33)16-20-17-30-27(24-10-4-3-9-23(20)24)28(34)19-12-14-21(15-13-19)31-29(35)25-11-5-7-18-6-1-2-8-22(18)25/h1-15,17H,16H2,(H,31,35)(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	350	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
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50444224 (CHEMBL3093606) Show SMILES OC(=O)Cc1cnc(C(=O)c2ccc(NC(=O)c3cccc4ccccc34)cc2)c2ccccc12 Show InChI InChI=1S/C29H20N2O4/c32-26(33)16-20-17-30-27(24-10-4-3-9-23(20)24)28(34)19-12-14-21(15-13-19)31-29(35)25-11-5-7-18-6-1-2-8-22(18)25/h1-15,17H,16H2,(H,31,35)(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	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