BDBM21565 2-[5-chloro-1'-(1-phenylethyl)-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-2,2',5'-trione]acetic acid::Spiro-indolinone analogue, 57

SMILES: CC(N1C(=O)CC2(C(=O)N(CC(O)=O)c3ccc(Cl)cc23)C1=O)c1ccccc1

InChI Key: InChIKey=KCCHKYLQIKGUPB-UHFFFAOYSA-N

Data: 1 KI

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 21565   

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))	BDBM21565 (2-[5-chloro-1'-(1-phenylethyl)-1,2-dihydrospiro[in...) Show SMILES CC(N1C(=O)CC2(C(=O)N(CC(O)=O)c3ccc(Cl)cc23)C1=O)c1ccccc1 Show InChI InChI=1S/C21H17ClN2O5/c1-12(13-5-3-2-4-6-13)24-17(25)10-21(20(24)29)15-9-14(22)7-8-16(15)23(19(21)28)11-18(26)27/h2-9,12H,10-11H2,1H3,(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	356	-8.70	n/a	n/a	n/a	n/a	n/a	7.4	22
Merck Serono					Assay Description A scintillation proximity assay was used for radioligand competition and saturation binding assays. Nonspecific binding was determined in the presenc...				J Med Chem 51: 2227-2243 (2008) Article DOI: 10.1021/jm701383e BindingDB Entry DOI: 10.7270/Q22R3PZS
					More data for this Ligand-Target Pair