BDBM50296859 2-(2-methyl-1-(4-nitrophenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-3-yl)acetic acid::CHEMBL557457

SMILES: Cc1c(CC(O)=O)c2cccnc2n1S(=O)(=O)c1ccc(cc1)[N+]([O-])=O

InChI Key: InChIKey=JTDZITUKXHOIAB-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 = 50296859   

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))	BDBM50296859 (2-(2-methyl-1-(4-nitrophenylsulfonyl)-1H-pyrrolo[2...) Show SMILES Cc1c(CC(O)=O)c2cccnc2n1S(=O)(=O)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C16H13N3O6S/c1-10-14(9-15(20)21)13-3-2-8-17-16(13)18(10)26(24,25)12-6-4-11(5-7-12)19(22)23/h2-8H,9H2,1H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes of Biomedical Research Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTh2 receptor expressed in CHO cells				Bioorg Med Chem Lett 19: 4794-8 (2009) Article DOI: 10.1016/j.bmcl.2009.06.042 BindingDB Entry DOI: 10.7270/Q2BK1CCF
					More data for this Ligand-Target Pair