BDBM196978 US9206164, 42

SMILES: CCc1nn(Cc2ccc(cc2)-c2nc3cc(Cl)cnc3[nH]2)c(CC)c1CC(O)=O

InChI Key: InChIKey=JFQYUPXVGXUKIQ-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 = 196978   

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))	BDBM196978 (US9206164, 42) Show SMILES CCc1nn(Cc2ccc(cc2)-c2nc3cc(Cl)cnc3[nH]2)c(CC)c1CC(O)=O Show InChI InChI=1S/C22H22ClN5O2/c1-3-17-16(10-20(29)30)19(4-2)28(27-17)12-13-5-7-14(8-6-13)21-25-18-9-15(23)11-24-22(18)26-21/h5-9,11H,3-4,10,12H2,1-2H3,(H,29,30)(H,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.70	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The CRTH2 receptor binding assay is performed in a scintillation proximity assay (SPA) format with the radioligand [3H]-PGD2 (Perkin Elmer, NET616000...				US Patent US9206164 (2015) BindingDB Entry DOI: 10.7270/Q2PR7TS9
					More data for this Ligand-Target Pair