BDBM50174359 CHEMBL194918::[1-(Butane-1-sulfonyl)-5-fluoro-2-methyl-1H-indol-3-yl]-acetic acid

SMILES: CCCCS(=O)(=O)n1c(C)c(CC(O)=O)c2cc(F)ccc12

InChI Key: InChIKey=PLUFPQZYPPYBJR-UHFFFAOYSA-N

Data: 2 KI  1 IC50

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 3 hits for monomerid = 50174359   

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))	BDBM50174359 (CHEMBL194918 | [1-(Butane-1-sulfonyl)-5-fluoro-2-m...) Show SMILES CCCCS(=O)(=O)n1c(C)c(CC(O)=O)c2cc(F)ccc12 Show InChI InChI=1S/C15H18FNO4S/c1-3-4-7-22(20,21)17-10(2)12(9-15(18)19)13-8-11(16)5-6-14(13)17/h5-6,8H,3-4,7,9H2,1-2H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	634	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Oxagen Ltd. Curated by ChEMBL					Assay Description Binding affinity towards human CRTH2 receptor expressed in CHO cells				J Med Chem 48: 6174-7 (2005) Article DOI: 10.1021/jm050519b BindingDB Entry DOI: 10.7270/Q2KK9B9B
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor (Homo sapiens (Human))	BDBM50174359 (CHEMBL194918 | [1-(Butane-1-sulfonyl)-5-fluoro-2-m...) Show SMILES CCCCS(=O)(=O)n1c(C)c(CC(O)=O)c2cc(F)ccc12 Show InChI InChI=1S/C15H18FNO4S/c1-3-4-7-22(20,21)17-10(2)12(9-15(18)19)13-8-11(16)5-6-14(13)17/h5-6,8H,3-4,7,9H2,1-2H3,(H,18,19)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Oxagen Ltd. Curated by ChEMBL					Assay Description Binding affinity towards human DP receptor expressed in CHO cells				J Med Chem 48: 6174-7 (2005) Article DOI: 10.1021/jm050519b BindingDB Entry DOI: 10.7270/Q2KK9B9B
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50174359 (CHEMBL194918 | [1-(Butane-1-sulfonyl)-5-fluoro-2-m...) Show SMILES CCCCS(=O)(=O)n1c(C)c(CC(O)=O)c2cc(F)ccc12 Show InChI InChI=1S/C15H18FNO4S/c1-3-4-7-22(20,21)17-10(2)12(9-15(18)19)13-8-11(16)5-6-14(13)17/h5-6,8H,3-4,7,9H2,1-2H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	842	n/a	n/a	n/a	n/a	n/a	n/a
Oxagen Ltd. Curated by ChEMBL					Assay Description Concentration required to inhibit PGD-2 (10 nM) stimulated [Ca2+] flux in CHO cells expressing human CRTH2 receptor				J Med Chem 48: 6174-7 (2005) Article DOI: 10.1021/jm050519b BindingDB Entry DOI: 10.7270/Q2KK9B9B
					More data for this Ligand-Target Pair