BDBM50357105 CHEMBL1917443

SMILES: Cc1c(Sc2ccc(cc2)S(C)(=O)=O)c2cc(C)ccc2n1CC(O)=O

InChI Key: InChIKey=KQHIXPPVIKOOLR-UHFFFAOYSA-N

Data: 3 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 = 50357105   

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))	BDBM50357105 (CHEMBL1917443) Show SMILES Cc1c(Sc2ccc(cc2)S(C)(=O)=O)c2cc(C)ccc2n1CC(O)=O Show InChI InChI=1S/C19H19NO4S2/c1-12-4-9-17-16(10-12)19(13(2)20(17)11-18(21)22)25-14-5-7-15(8-6-14)26(3,23)24/h4-10H,11H2,1-3H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTH2 receptor				Bioorg Med Chem Lett 21: 6288-92 (2011) Article DOI: 10.1016/j.bmcl.2011.08.124 BindingDB Entry DOI: 10.7270/Q29P3225
					More data for this Ligand-Target Pair
Aldose reductase (AR) (Homo sapiens (Human))	BDBM50357105 (CHEMBL1917443) Show SMILES Cc1c(Sc2ccc(cc2)S(C)(=O)=O)c2cc(C)ccc2n1CC(O)=O Show InChI InChI=1S/C19H19NO4S2/c1-12-4-9-17-16(10-12)19(13(2)20(17)11-18(21)22)25-14-5-7-15(8-6-14)26(3,23)24/h4-10H,11H2,1-3H3,(H,21,22)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.94E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Inhibition of human recombinant aldose reductase 1 after 15 mins by spectrophotometry analysis				Bioorg Med Chem Lett 21: 6288-92 (2011) Article DOI: 10.1016/j.bmcl.2011.08.124 BindingDB Entry DOI: 10.7270/Q29P3225
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50357105 (CHEMBL1917443) Show SMILES Cc1c(Sc2ccc(cc2)S(C)(=O)=O)c2cc(C)ccc2n1CC(O)=O Show InChI InChI=1S/C19H19NO4S2/c1-12-4-9-17-16(10-12)19(13(2)20(17)11-18(21)22)25-14-5-7-15(8-6-14)26(3,23)24/h4-10H,11H2,1-3H3,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Inhibition of CYP2C9				Bioorg Med Chem Lett 21: 6288-92 (2011) Article DOI: 10.1016/j.bmcl.2011.08.124 BindingDB Entry DOI: 10.7270/Q29P3225
					More data for this Ligand-Target Pair