BDBM50442303 CHEMBL2442752

SMILES: Cc1c(CC(O)=O)c2cccnc2n1Cc1ccc(cc1)S(=O)(=O)C(F)(F)F

InChI Key: InChIKey=XTDBCVHBEDQJAK-UHFFFAOYSA-N

Data: 1 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 2 hits for monomerid = 50442303   

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))	BDBM50442303 (CHEMBL2442752) Show SMILES Cc1c(CC(O)=O)c2cccnc2n1Cc1ccc(cc1)S(=O)(=O)C(F)(F)F Show InChI InChI=1S/C18H15F3N2O4S/c1-11-15(9-16(24)25)14-3-2-8-22-17(14)23(11)10-12-4-6-13(7-5-12)28(26,27)18(19,20)21/h2-8H,9-10H2,1H3,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	208	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Displacement of [3H]-prostaglandin D2 from human CRTh2 receptor expressed in CHO cells after 2 hrs				Bioorg Med Chem 21: 6582-91 (2013) Article DOI: 10.1016/j.bmc.2013.08.025 BindingDB Entry DOI: 10.7270/Q2QR4ZKF
					More data for this Ligand-Target Pair
G protein-coupled receptor 44 (Homo sapiens (Human))	BDBM50442303 (CHEMBL2442752) Show SMILES Cc1c(CC(O)=O)c2cccnc2n1Cc1ccc(cc1)S(=O)(=O)C(F)(F)F Show InChI InChI=1S/C18H15F3N2O4S/c1-11-15(9-16(24)25)14-3-2-8-22-17(14)23(11)10-12-4-6-13(7-5-12)28(26,27)18(19,20)21/h2-8H,9-10H2,1H3,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	147	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Antagonist activity at human CRTh2 receptor expressed in CHO cells assessed as inhibition of prostaglandin D2 and forskolin-induced cAMP accumulation...				Bioorg Med Chem 21: 6582-91 (2013) Article DOI: 10.1016/j.bmc.2013.08.025 BindingDB Entry DOI: 10.7270/Q2QR4ZKF
					More data for this Ligand-Target Pair