BDBM50357112 CHEMBL1917427

SMILES: Cc1c(Sc2ccc(Cl)cc2)c2c(C)c(F)ccc2n1CC(O)=O

InChI Key: InChIKey=VAJPAWXFYKFUMH-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50357112   

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
Aldose reductase (AR) (Homo sapiens (Human))	BDBM50357112 (CHEMBL1917427) Show SMILES Cc1c(Sc2ccc(Cl)cc2)c2c(C)c(F)ccc2n1CC(O)=O Show InChI InChI=1S/C18H15ClFNO2S/c1-10-14(20)7-8-15-17(10)18(11(2)21(15)9-16(22)23)24-13-5-3-12(19)4-6-13/h3-8H,9H2,1-2H3,(H,22,23)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.24E+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
G protein-coupled receptor 44 (Homo sapiens (Human))	BDBM50357112 (CHEMBL1917427) Show SMILES Cc1c(Sc2ccc(Cl)cc2)c2c(C)c(F)ccc2n1CC(O)=O Show InChI InChI=1S/C18H15ClFNO2S/c1-10-14(20)7-8-15-17(10)18(11(2)21(15)9-16(22)23)24-13-5-3-12(19)4-6-13/h3-8H,9H2,1-2H3,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	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