BDBM128351 US8796280, 41

SMILES: Fc1ccc2n(Cc3ccc(cc3)-c3nccnc3NS(=O)(=O)c3ccccc3Cl)ccc2c1

InChI Key: InChIKey=NIHWMQBNJSHNSU-UHFFFAOYSA-N

Data: 1 KI

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 1 hit for monomerid = 128351   

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))	BDBM128351 (US8796280, 41) Show SMILES Fc1ccc2n(Cc3ccc(cc3)-c3nccnc3NS(=O)(=O)c3ccccc3Cl)ccc2c1 Show InChI InChI=1S/C25H18ClFN4O2S/c26-21-3-1-2-4-23(21)34(32,33)30-25-24(28-12-13-29-25)18-7-5-17(6-8-18)16-31-14-11-19-15-20(27)9-10-22(19)31/h1-15H,16H2,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3.90E+3	-7.37	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Serono, S.A. US Patent					Assay Description The compounds of the present invention inhibit the binding of PGD2 to its receptor CRTH2. The inhibitory activity can be investigated by a radioligan...				US Patent US8796280 (2014) BindingDB Entry DOI: 10.7270/Q2RV0MCF
					More data for this Ligand-Target Pair