BDBM50423390 CHEMBL250675::CHEMBL398303

SMILES: OC(=O)Cn1cc(CCN(Cc2ccccc2)S(=O)(=O)c2ccc(F)cc2)c2ccccc12

InChI Key: InChIKey=DZTFJQARHHRPJX-UHFFFAOYSA-N

Data: 1 IC50  1 Kd

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 = 50423390   

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
G protein-coupled receptor 44 (Homo sapiens (Human))	BDBM50423390 (CHEMBL250675 | CHEMBL398303) Show SMILES OC(=O)Cn1cc(CCN(Cc2ccccc2)S(=O)(=O)c2ccc(F)cc2)c2ccccc12 Show InChI InChI=1S/C25H23FN2O4S/c26-21-10-12-22(13-11-21)33(31,32)28(16-19-6-2-1-3-7-19)15-14-20-17-27(18-25(29)30)24-9-5-4-8-23(20)24/h1-13,17H,14-16,18H2,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a
University of Southern Denmark Curated by ChEMBL					Assay Description Displacement of [3H]TRQ11238 from human CRTH2 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 17: 5924-7 (2007) Article DOI: 10.1016/j.bmcl.2007.07.080 BindingDB Entry DOI: 10.7270/Q2DN46BC
					More data for this Ligand-Target Pair
G protein-coupled receptor 44 (Homo sapiens (Human))	BDBM50423390 (CHEMBL250675 | CHEMBL398303) Show SMILES OC(=O)Cn1cc(CCN(Cc2ccccc2)S(=O)(=O)c2ccc(F)cc2)c2ccccc12 Show InChI InChI=1S/C25H23FN2O4S/c26-21-10-12-22(13-11-21)33(31,32)28(16-19-6-2-1-3-7-19)15-14-20-17-27(18-25(29)30)24-9-5-4-8-23(20)24/h1-13,17H,14-16,18H2,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
University of Southern Denmark Curated by ChEMBL					Assay Description Antagonist activity at human CRTH2 receptor assessed as inhibition of PGD2-induced signaling by inositol-phosphate assay				Bioorg Med Chem Lett 17: 5924-7 (2007) Article DOI: 10.1016/j.bmcl.2007.07.080 BindingDB Entry DOI: 10.7270/Q2DN46BC
					More data for this Ligand-Target Pair